USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 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 NoAdj-H: B 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 4 ASN : amide:sc= -9.04! C(o=-7.9!,f=-12!) USER MOD Set 1.2: A 76 TYR OH : rot 75:sc= 1.12 USER MOD Set 2.1: A 48 SER OG : rot 10:sc= -1.22! USER MOD Set 2.2: A 63 HIS :FLIP no HD1:sc= -3.53! C(o=-13!,f=-4.8!) USER MOD Single : A 5 ASN :FLIP amide:sc= -4.07! C(o=-8.3!,f=-4.1!) USER MOD Single : A 8 THR OG1 : rot -25:sc= 0.669 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 12 TYR OH : rot -147:sc= -6.69! USER MOD Single : A 13 ASN :FLIP amide:sc= -12.8! C(o=-17!,f=-13!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -64:sc= 0.968 USER MOD Single : A 17 SER OG : rot 150:sc= -1.32 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0.424 (180deg=0.392) USER MOD Single : A 28 THR OG1 : rot -78:sc= -3.79! USER MOD Single : A 30 LYS NZ :NH3+ -120:sc= -1.36! (180deg=-3.02!) USER MOD Single : A 35 MET CE :methyl -172:sc= -25.9! (180deg=-26.5!) USER MOD Single : A 39 SER OG : rot -53:sc= 0.177! USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 THR OG1 : rot -120:sc= -5.53! USER MOD Single : A 45 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 THR OG1 : rot -130:sc= -0.897 USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -2.39! (180deg=-2.57!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -9.26! C(o=-11!,f=-9.3!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= -13.7! (180deg=-14.1!) USER MOD Single : A 64 TYR OH : rot 76:sc= -18.1! USER MOD Single : A 65 HIS : no HD1:sc= -27.3! C(o=-27!,f=-28!) USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= 0.211 (180deg=-0.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 70 ASN : amide:sc= -2.99! C(o=-3!,f=-13!) USER MOD Single : A 72 SER OG : rot 63:sc= 0.98 USER MOD Single : A 74 LYS NZ :NH3+ -123:sc= -1.82! (180deg=-4.52!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -121:sc= -0.911 (180deg=-2.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -3.31! C(o=-3.3!,f=-7.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -25.3! C(o=-25!,f=-26!) USER MOD Single : A 95 GLN :FLIP amide:sc= -5.65! C(o=-8.9!,f=-5.7!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -2.88 F(o=-5.2!,f=-2.9) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 20:sc= -23.9! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -2.181 15.169 6.724 1.00 0.00 C HETATM 2 O ACE A 3 -3.369 14.991 6.992 1.00 0.00 O HETATM 3 CH3 ACE A 3 -1.431 16.353 7.281 1.00 0.00 C HETATM 0 H1 ACE A 3 -0.592 16.002 7.883 1.00 0.00 H new HETATM 0 H2 ACE A 3 -1.058 16.966 6.461 1.00 0.00 H new HETATM 0 H3 ACE A 3 -2.100 16.948 7.903 1.00 0.00 H new ATOM 7 N ASN A 4 -1.487 14.351 5.939 1.00 0.00 N ATOM 8 CA ASN A 4 -2.094 13.172 5.335 1.00 0.00 C ATOM 9 C ASN A 4 -2.557 12.191 6.407 1.00 0.00 C ATOM 10 O ASN A 4 -3.244 11.213 6.112 1.00 0.00 O ATOM 11 CB ASN A 4 -1.103 12.486 4.394 1.00 0.00 C ATOM 12 CG ASN A 4 -1.748 12.045 3.094 1.00 0.00 C ATOM 13 OD1 ASN A 4 -1.700 10.871 2.730 1.00 0.00 O ATOM 14 ND2 ASN A 4 -2.358 12.990 2.388 1.00 0.00 N ATOM 0 H ASN A 4 -0.503 14.484 5.707 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.963 13.495 4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.282 13.169 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.672 11.619 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.812 12.754 1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.373 13.951 2.729 1.00 0.00 H new ATOM 21 N ASN A 5 -2.178 12.460 7.652 1.00 0.00 N ATOM 22 CA ASN A 5 -2.554 11.602 8.769 1.00 0.00 C ATOM 23 C ASN A 5 -2.639 10.144 8.335 1.00 0.00 C ATOM 24 O ASN A 5 -3.359 9.348 8.936 1.00 0.00 O ATOM 25 CB ASN A 5 -3.899 12.047 9.349 1.00 0.00 C ATOM 26 CG ASN A 5 -4.938 12.301 8.273 1.00 0.00 C ATOM 27 OD1 ASN A 5 -5.100 11.345 7.365 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -5.589 13.346 8.258 1.00 0.00 N flip ATOM 0 H ASN A 5 -1.610 13.266 7.913 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.783 11.691 9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.268 11.282 10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.756 12.956 9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.433 14.055 8.975 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.285 13.503 7.529 1.00 0.00 H new ATOM 35 N LEU A 6 -1.904 9.799 7.283 1.00 0.00 N ATOM 36 CA LEU A 6 -1.904 8.435 6.766 1.00 0.00 C ATOM 37 C LEU A 6 -0.976 7.537 7.579 1.00 0.00 C ATOM 38 O LEU A 6 -1.274 6.368 7.821 1.00 0.00 O ATOM 39 CB LEU A 6 -1.492 8.430 5.290 1.00 0.00 C ATOM 40 CG LEU A 6 -1.680 7.090 4.581 1.00 0.00 C ATOM 41 CD1 LEU A 6 -3.099 6.596 4.780 1.00 0.00 C ATOM 42 CD2 LEU A 6 -1.357 7.208 3.097 1.00 0.00 C ATOM 0 H LEU A 6 -1.301 10.444 6.772 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.916 8.039 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.070 9.189 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.444 8.720 5.218 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.989 6.368 5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.226 5.640 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.294 6.470 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.799 7.323 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.499 6.240 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.019 7.942 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.322 7.526 2.974 1.00 0.00 H new ATOM 54 N GLU A 7 0.154 8.097 7.984 1.00 0.00 N ATOM 55 CA GLU A 7 1.152 7.370 8.760 1.00 0.00 C ATOM 56 C GLU A 7 0.599 6.934 10.110 1.00 0.00 C ATOM 57 O GLU A 7 1.197 6.106 10.799 1.00 0.00 O ATOM 58 CB GLU A 7 2.392 8.240 8.968 1.00 0.00 C ATOM 59 CG GLU A 7 2.745 8.456 10.430 1.00 0.00 C ATOM 60 CD GLU A 7 4.103 9.105 10.613 1.00 0.00 C ATOM 61 OE1 GLU A 7 5.123 8.428 10.363 1.00 0.00 O ATOM 62 OE2 GLU A 7 4.147 10.291 11.006 1.00 0.00 O ATOM 0 H GLU A 7 0.406 9.065 7.786 1.00 0.00 H new ATOM 0 HA GLU A 7 1.423 6.476 8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.240 7.777 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.230 9.209 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.982 9.080 10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.732 7.497 10.948 1.00 0.00 H new ATOM 69 N THR A 8 -0.542 7.498 10.493 1.00 0.00 N ATOM 70 CA THR A 8 -1.158 7.166 11.770 1.00 0.00 C ATOM 71 C THR A 8 -2.111 5.985 11.638 1.00 0.00 C ATOM 72 O THR A 8 -2.644 5.495 12.633 1.00 0.00 O ATOM 73 CB THR A 8 -1.897 8.377 12.337 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.510 8.058 13.575 1.00 0.00 O ATOM 75 CG2 THR A 8 -2.975 8.905 11.415 1.00 0.00 C ATOM 0 H THR A 8 -1.056 8.184 9.940 1.00 0.00 H new ATOM 0 HA THR A 8 -0.362 6.881 12.458 1.00 0.00 H new ATOM 0 HB THR A 8 -1.136 9.147 12.460 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.682 7.094 13.616 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.461 9.764 11.878 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.528 9.207 10.468 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.714 8.124 11.235 1.00 0.00 H new ATOM 83 N TYR A 9 -2.327 5.531 10.409 1.00 0.00 N ATOM 84 CA TYR A 9 -3.217 4.411 10.168 1.00 0.00 C ATOM 85 C TYR A 9 -2.489 3.087 10.355 1.00 0.00 C ATOM 86 O TYR A 9 -1.265 3.050 10.489 1.00 0.00 O ATOM 87 CB TYR A 9 -3.808 4.492 8.761 1.00 0.00 C ATOM 88 CG TYR A 9 -4.792 5.621 8.591 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.360 6.895 8.256 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.153 5.416 8.766 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.254 7.934 8.098 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.058 6.448 8.610 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.604 7.708 8.275 1.00 0.00 C ATOM 94 OH TYR A 9 -7.501 8.745 8.114 1.00 0.00 O ATOM 0 H TYR A 9 -1.898 5.922 9.570 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.028 4.462 10.895 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.999 4.613 8.041 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.303 3.549 8.528 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.305 7.077 8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.511 4.432 9.029 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.899 8.920 7.837 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.114 6.270 8.749 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.411 8.418 8.273 1.00 0.00 H new ATOM 104 N GLU A 10 -3.253 2.004 10.375 1.00 0.00 N ATOM 105 CA GLU A 10 -2.698 0.671 10.558 1.00 0.00 C ATOM 106 C GLU A 10 -2.104 0.133 9.266 1.00 0.00 C ATOM 107 O GLU A 10 -2.091 -1.076 9.044 1.00 0.00 O ATOM 108 CB GLU A 10 -3.791 -0.283 11.035 1.00 0.00 C ATOM 109 CG GLU A 10 -3.296 -1.697 11.297 1.00 0.00 C ATOM 110 CD GLU A 10 -2.686 -1.858 12.676 1.00 0.00 C ATOM 111 OE1 GLU A 10 -3.168 -1.196 13.619 1.00 0.00 O ATOM 112 OE2 GLU A 10 -1.724 -2.642 12.811 1.00 0.00 O ATOM 0 H GLU A 10 -4.267 2.024 10.266 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.905 0.741 11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.233 0.113 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.583 -0.317 10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.127 -2.394 11.188 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.555 -1.964 10.543 1.00 0.00 H new ATOM 119 N TRP A 11 -1.638 1.013 8.395 1.00 0.00 N ATOM 120 CA TRP A 11 -1.094 0.547 7.131 1.00 0.00 C ATOM 121 C TRP A 11 -0.100 1.516 6.488 1.00 0.00 C ATOM 122 O TRP A 11 0.524 1.171 5.485 1.00 0.00 O ATOM 123 CB TRP A 11 -2.254 0.283 6.182 1.00 0.00 C ATOM 124 CG TRP A 11 -3.411 1.198 6.437 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.363 1.080 7.412 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.724 2.384 5.715 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.249 2.127 7.331 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.878 2.938 6.295 1.00 0.00 C ATOM 129 CE3 TRP A 11 -3.137 3.028 4.630 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.454 4.111 5.823 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.708 4.191 4.160 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.859 4.724 4.756 1.00 0.00 C ATOM 0 H TRP A 11 -1.624 2.024 8.533 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.527 -0.362 7.333 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.915 0.406 5.153 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.580 -0.752 6.288 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.411 0.282 8.138 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.051 2.275 7.943 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.250 2.624 4.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.340 4.524 6.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.261 4.700 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.284 5.637 4.365 1.00 0.00 H new ATOM 143 N TYR A 12 0.076 2.717 7.038 1.00 0.00 N ATOM 144 CA TYR A 12 1.024 3.640 6.441 1.00 0.00 C ATOM 145 C TYR A 12 2.390 3.516 7.094 1.00 0.00 C ATOM 146 O TYR A 12 2.561 3.813 8.277 1.00 0.00 O ATOM 147 CB TYR A 12 0.550 5.089 6.508 1.00 0.00 C ATOM 148 CG TYR A 12 1.413 5.993 5.656 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.456 5.457 4.918 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.192 7.359 5.580 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.257 6.248 4.131 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.992 8.167 4.791 1.00 0.00 C ATOM 153 CZ TYR A 12 3.024 7.605 4.067 1.00 0.00 C ATOM 154 OH TYR A 12 3.824 8.400 3.282 1.00 0.00 O ATOM 0 H TYR A 12 -0.409 3.060 7.867 1.00 0.00 H new ATOM 0 HA TYR A 12 1.101 3.364 5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.485 5.150 6.173 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.571 5.433 7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.643 4.394 4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.384 7.799 6.145 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.065 5.809 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.810 9.230 4.742 1.00 0.00 H new ATOM 0 HH TYR A 12 3.909 9.285 3.693 1.00 0.00 H new ATOM 164 N ASN A 13 3.357 3.069 6.309 1.00 0.00 N ATOM 165 CA ASN A 13 4.717 2.892 6.786 1.00 0.00 C ATOM 166 C ASN A 13 5.629 3.983 6.231 1.00 0.00 C ATOM 167 O ASN A 13 5.551 4.327 5.050 1.00 0.00 O ATOM 168 CB ASN A 13 5.218 1.517 6.368 1.00 0.00 C ATOM 169 CG ASN A 13 5.430 0.596 7.549 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.624 -0.453 7.624 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 6.307 0.824 8.383 1.00 0.00 N flip ATOM 0 H ASN A 13 3.222 2.820 5.329 1.00 0.00 H new ATOM 0 HA ASN A 13 4.728 2.967 7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.501 1.065 5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.155 1.625 5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.904 1.645 8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.436 0.192 9.173 1.00 0.00 H new ATOM 178 N LYS A 14 6.481 4.538 7.088 1.00 0.00 N ATOM 179 CA LYS A 14 7.389 5.602 6.681 1.00 0.00 C ATOM 180 C LYS A 14 8.737 5.054 6.216 1.00 0.00 C ATOM 181 O LYS A 14 9.377 4.269 6.915 1.00 0.00 O ATOM 182 CB LYS A 14 7.600 6.584 7.834 1.00 0.00 C ATOM 183 CG LYS A 14 8.495 7.759 7.477 1.00 0.00 C ATOM 184 CD LYS A 14 9.965 7.412 7.652 1.00 0.00 C ATOM 185 CE LYS A 14 10.467 7.795 9.034 1.00 0.00 C ATOM 186 NZ LYS A 14 11.869 7.348 9.260 1.00 0.00 N ATOM 0 H LYS A 14 6.561 4.268 8.068 1.00 0.00 H new ATOM 0 HA LYS A 14 6.930 6.119 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.631 6.962 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.035 6.051 8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.311 8.058 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.244 8.613 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.109 6.343 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.554 7.928 6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.407 8.877 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.819 7.353 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.173 7.629 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.922 6.313 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.492 7.789 8.554 1.00 0.00 H new ATOM 200 N SER A 15 9.163 5.488 5.032 1.00 0.00 N ATOM 201 CA SER A 15 10.440 5.062 4.464 1.00 0.00 C ATOM 202 C SER A 15 10.373 3.626 3.957 1.00 0.00 C ATOM 203 O SER A 15 11.260 3.173 3.236 1.00 0.00 O ATOM 204 CB SER A 15 11.551 5.194 5.507 1.00 0.00 C ATOM 205 OG SER A 15 11.851 3.940 6.096 1.00 0.00 O ATOM 0 H SER A 15 8.640 6.138 4.445 1.00 0.00 H new ATOM 0 HA SER A 15 10.660 5.710 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.447 5.603 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.246 5.899 6.281 1.00 0.00 H new ATOM 0 HG SER A 15 11.072 3.619 6.596 1.00 0.00 H new ATOM 211 N ILE A 16 9.323 2.917 4.342 1.00 0.00 N ATOM 212 CA ILE A 16 9.145 1.537 3.931 1.00 0.00 C ATOM 213 C ILE A 16 8.398 1.437 2.605 1.00 0.00 C ATOM 214 O ILE A 16 7.174 1.552 2.560 1.00 0.00 O ATOM 215 CB ILE A 16 8.381 0.746 5.002 1.00 0.00 C ATOM 216 CG1 ILE A 16 7.035 0.271 4.454 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.190 1.596 6.250 1.00 0.00 C ATOM 218 CD1 ILE A 16 6.327 -0.712 5.358 1.00 0.00 C ATOM 0 H ILE A 16 8.580 3.278 4.941 1.00 0.00 H new ATOM 0 HA ILE A 16 10.140 1.111 3.803 1.00 0.00 H new ATOM 0 HB ILE A 16 8.966 -0.133 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.391 1.136 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.192 -0.192 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.647 1.023 7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.164 1.883 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.623 2.492 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.380 -1.005 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.952 -1.594 5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.138 -0.246 6.325 1.00 0.00 H new ATOM 230 N SER A 17 9.144 1.219 1.528 1.00 0.00 N ATOM 231 CA SER A 17 8.551 1.096 0.203 1.00 0.00 C ATOM 232 C SER A 17 7.761 -0.205 0.082 1.00 0.00 C ATOM 233 O SER A 17 7.524 -0.892 1.074 1.00 0.00 O ATOM 234 CB SER A 17 9.638 1.148 -0.873 1.00 0.00 C ATOM 235 OG SER A 17 9.077 1.347 -2.158 1.00 0.00 O ATOM 0 H SER A 17 10.159 1.124 1.547 1.00 0.00 H new ATOM 0 HA SER A 17 7.867 1.932 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.337 1.954 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.209 0.220 -0.862 1.00 0.00 H new ATOM 0 HG SER A 17 9.713 1.837 -2.720 1.00 0.00 H new ATOM 241 N ARG A 18 7.358 -0.535 -1.141 1.00 0.00 N ATOM 242 CA ARG A 18 6.596 -1.753 -1.394 1.00 0.00 C ATOM 243 C ARG A 18 7.360 -2.984 -0.921 1.00 0.00 C ATOM 244 O ARG A 18 6.772 -3.915 -0.365 1.00 0.00 O ATOM 245 CB ARG A 18 6.277 -1.881 -2.884 1.00 0.00 C ATOM 246 CG ARG A 18 7.402 -1.408 -3.786 1.00 0.00 C ATOM 247 CD ARG A 18 8.375 -2.533 -4.101 1.00 0.00 C ATOM 248 NE ARG A 18 9.524 -2.059 -4.865 1.00 0.00 N ATOM 249 CZ ARG A 18 10.404 -1.176 -4.404 1.00 0.00 C ATOM 250 NH1 ARG A 18 10.263 -0.666 -3.188 1.00 0.00 N ATOM 251 NH2 ARG A 18 11.425 -0.797 -5.162 1.00 0.00 N ATOM 0 H ARG A 18 7.547 0.024 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 18 5.664 -1.688 -0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.053 -2.923 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.378 -1.306 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.985 -1.016 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.935 -0.588 -3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.719 -2.987 -3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.860 -3.311 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 18 9.660 -2.426 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.477 -0.951 -2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.940 0.011 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.535 -1.183 -6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.100 -0.119 -4.807 1.00 0.00 H new ATOM 265 N ASP A 19 8.674 -2.985 -1.131 1.00 0.00 N ATOM 266 CA ASP A 19 9.496 -4.111 -0.710 1.00 0.00 C ATOM 267 C ASP A 19 9.328 -4.325 0.782 1.00 0.00 C ATOM 268 O ASP A 19 9.209 -5.461 1.259 1.00 0.00 O ATOM 269 CB ASP A 19 10.967 -3.861 -1.048 1.00 0.00 C ATOM 270 CG ASP A 19 11.648 -5.091 -1.613 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.990 -6.150 -1.694 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.840 -4.998 -1.973 1.00 0.00 O ATOM 0 H ASP A 19 9.185 -2.228 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 19 9.174 -5.006 -1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.038 -3.047 -1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.493 -3.538 -0.150 1.00 0.00 H new ATOM 277 N LYS A 20 9.261 -3.222 1.511 1.00 0.00 N ATOM 278 CA LYS A 20 9.056 -3.290 2.942 1.00 0.00 C ATOM 279 C LYS A 20 7.676 -3.859 3.184 1.00 0.00 C ATOM 280 O LYS A 20 7.507 -4.866 3.881 1.00 0.00 O ATOM 281 CB LYS A 20 9.186 -1.904 3.574 1.00 0.00 C ATOM 282 CG LYS A 20 10.530 -1.241 3.312 1.00 0.00 C ATOM 283 CD LYS A 20 11.293 -0.996 4.603 1.00 0.00 C ATOM 284 CE LYS A 20 12.000 -2.254 5.080 1.00 0.00 C ATOM 285 NZ LYS A 20 13.028 -1.955 6.114 1.00 0.00 N ATOM 0 H LYS A 20 9.345 -2.277 1.135 1.00 0.00 H new ATOM 0 HA LYS A 20 9.813 -3.927 3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.393 -1.263 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.035 -1.989 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.125 -1.871 2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.375 -0.294 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.024 -0.202 4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.604 -0.650 5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.267 -2.950 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.472 -2.749 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.487 -2.839 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.742 -1.311 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.574 -1.506 6.935 1.00 0.00 H new ATOM 299 N ALA A 21 6.696 -3.252 2.535 1.00 0.00 N ATOM 300 CA ALA A 21 5.339 -3.739 2.624 1.00 0.00 C ATOM 301 C ALA A 21 5.350 -5.211 2.272 1.00 0.00 C ATOM 302 O ALA A 21 4.671 -6.025 2.897 1.00 0.00 O ATOM 303 CB ALA A 21 4.418 -2.953 1.702 1.00 0.00 C ATOM 0 H ALA A 21 6.818 -2.428 1.946 1.00 0.00 H new ATOM 0 HA ALA A 21 4.955 -3.605 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.402 -3.339 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.431 -1.901 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.760 -3.056 0.672 1.00 0.00 H new ATOM 309 N GLU A 22 6.178 -5.553 1.286 1.00 0.00 N ATOM 310 CA GLU A 22 6.328 -6.936 0.877 1.00 0.00 C ATOM 311 C GLU A 22 6.886 -7.736 2.040 1.00 0.00 C ATOM 312 O GLU A 22 6.345 -8.778 2.411 1.00 0.00 O ATOM 313 CB GLU A 22 7.254 -7.041 -0.337 1.00 0.00 C ATOM 314 CG GLU A 22 6.519 -7.290 -1.643 1.00 0.00 C ATOM 315 CD GLU A 22 6.080 -8.733 -1.801 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.862 -9.634 -1.434 1.00 0.00 O ATOM 317 OE2 GLU A 22 4.953 -8.961 -2.291 1.00 0.00 O ATOM 0 H GLU A 22 6.750 -4.890 0.762 1.00 0.00 H new ATOM 0 HA GLU A 22 5.355 -7.337 0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.831 -6.120 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.967 -7.849 -0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.645 -6.641 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.166 -7.018 -2.477 1.00 0.00 H new ATOM 324 N LYS A 23 7.956 -7.222 2.636 1.00 0.00 N ATOM 325 CA LYS A 23 8.564 -7.886 3.786 1.00 0.00 C ATOM 326 C LYS A 23 7.524 -8.070 4.874 1.00 0.00 C ATOM 327 O LYS A 23 7.339 -9.167 5.402 1.00 0.00 O ATOM 328 CB LYS A 23 9.751 -7.092 4.345 1.00 0.00 C ATOM 329 CG LYS A 23 10.251 -5.990 3.431 1.00 0.00 C ATOM 330 CD LYS A 23 10.991 -6.559 2.236 1.00 0.00 C ATOM 331 CE LYS A 23 10.210 -7.699 1.613 1.00 0.00 C ATOM 332 NZ LYS A 23 10.942 -8.325 0.478 1.00 0.00 N ATOM 0 H LYS A 23 8.417 -6.359 2.348 1.00 0.00 H new ATOM 0 HA LYS A 23 8.937 -8.854 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.462 -6.653 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.571 -7.781 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.409 -5.389 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.911 -5.325 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.153 -5.775 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.974 -6.912 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.004 -8.454 2.372 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.247 -7.329 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.438 -9.181 0.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.997 -7.652 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.903 -8.580 0.783 1.00 0.00 H new ATOM 346 N LEU A 24 6.842 -6.983 5.195 1.00 0.00 N ATOM 347 CA LEU A 24 5.802 -7.011 6.216 1.00 0.00 C ATOM 348 C LEU A 24 4.601 -7.820 5.742 1.00 0.00 C ATOM 349 O LEU A 24 3.986 -8.551 6.517 1.00 0.00 O ATOM 350 CB LEU A 24 5.364 -5.591 6.569 1.00 0.00 C ATOM 351 CG LEU A 24 5.914 -4.503 5.649 1.00 0.00 C ATOM 352 CD1 LEU A 24 5.149 -3.204 5.851 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.405 -4.306 5.897 1.00 0.00 C ATOM 0 H LEU A 24 6.988 -6.070 4.765 1.00 0.00 H new ATOM 0 HA LEU A 24 6.214 -7.487 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.275 -5.547 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.674 -5.374 7.591 1.00 0.00 H new ATOM 0 HG LEU A 24 5.781 -4.816 4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.552 -2.438 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.095 -3.363 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.251 -2.879 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.784 -3.528 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.565 -4.010 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.933 -5.239 5.700 1.00 0.00 H new ATOM 365 N LEU A 25 4.271 -7.676 4.463 1.00 0.00 N ATOM 366 CA LEU A 25 3.139 -8.387 3.881 1.00 0.00 C ATOM 367 C LEU A 25 3.397 -9.885 3.819 1.00 0.00 C ATOM 368 O LEU A 25 2.585 -10.687 4.276 1.00 0.00 O ATOM 369 CB LEU A 25 2.846 -7.855 2.480 1.00 0.00 C ATOM 370 CG LEU A 25 1.841 -6.701 2.414 1.00 0.00 C ATOM 371 CD1 LEU A 25 0.590 -7.029 3.208 1.00 0.00 C ATOM 372 CD2 LEU A 25 2.470 -5.416 2.922 1.00 0.00 C ATOM 0 H LEU A 25 4.771 -7.073 3.810 1.00 0.00 H new ATOM 0 HA LEU A 25 2.274 -8.217 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.783 -7.525 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.472 -8.676 1.869 1.00 0.00 H new ATOM 0 HG LEU A 25 1.556 -6.559 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.109 -6.195 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.123 -7.925 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.856 -7.203 4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.741 -4.608 2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.786 -5.550 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.335 -5.167 2.307 1.00 0.00 H new ATOM 384 N LEU A 26 4.536 -10.255 3.253 1.00 0.00 N ATOM 385 CA LEU A 26 4.905 -11.661 3.137 1.00 0.00 C ATOM 386 C LEU A 26 4.985 -12.300 4.511 1.00 0.00 C ATOM 387 O LEU A 26 4.523 -13.421 4.725 1.00 0.00 O ATOM 388 CB LEU A 26 6.242 -11.814 2.412 1.00 0.00 C ATOM 389 CG LEU A 26 6.321 -11.142 1.042 1.00 0.00 C ATOM 390 CD1 LEU A 26 5.036 -10.387 0.742 1.00 0.00 C ATOM 391 CD2 LEU A 26 7.519 -10.209 0.983 1.00 0.00 C ATOM 0 H LEU A 26 5.220 -9.604 2.867 1.00 0.00 H new ATOM 0 HA LEU A 26 4.135 -12.167 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.029 -11.405 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.451 -12.877 2.290 1.00 0.00 H new ATOM 0 HG LEU A 26 6.446 -11.914 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.111 -9.915 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.196 -11.082 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.878 -9.622 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.564 -9.736 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.421 -9.442 1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.433 -10.779 1.154 1.00 0.00 H new ATOM 403 N ASP A 27 5.576 -11.566 5.439 1.00 0.00 N ATOM 404 CA ASP A 27 5.726 -12.034 6.809 1.00 0.00 C ATOM 405 C ASP A 27 4.368 -12.161 7.488 1.00 0.00 C ATOM 406 O ASP A 27 4.152 -13.051 8.309 1.00 0.00 O ATOM 407 CB ASP A 27 6.624 -11.085 7.603 1.00 0.00 C ATOM 408 CG ASP A 27 7.965 -11.705 7.943 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.860 -11.696 7.072 1.00 0.00 O ATOM 410 OD2 ASP A 27 8.119 -12.200 9.079 1.00 0.00 O ATOM 0 H ASP A 27 5.962 -10.638 5.268 1.00 0.00 H new ATOM 0 HA ASP A 27 6.193 -13.019 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.784 -10.174 7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.117 -10.795 8.523 1.00 0.00 H new ATOM 415 N THR A 28 3.462 -11.258 7.141 1.00 0.00 N ATOM 416 CA THR A 28 2.123 -11.257 7.715 1.00 0.00 C ATOM 417 C THR A 28 1.322 -12.459 7.240 1.00 0.00 C ATOM 418 O THR A 28 0.709 -13.168 8.040 1.00 0.00 O ATOM 419 CB THR A 28 1.389 -9.964 7.360 1.00 0.00 C ATOM 420 OG1 THR A 28 1.982 -9.345 6.232 1.00 0.00 O ATOM 421 CG2 THR A 28 1.380 -8.955 8.488 1.00 0.00 C ATOM 0 H THR A 28 3.630 -10.515 6.463 1.00 0.00 H new ATOM 0 HA THR A 28 2.224 -11.320 8.798 1.00 0.00 H new ATOM 0 HB THR A 28 0.361 -10.261 7.151 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.803 -8.885 6.505 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.844 -8.060 8.172 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.885 -9.386 9.358 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.405 -8.691 8.748 1.00 0.00 H new ATOM 429 N GLY A 29 1.334 -12.688 5.936 1.00 0.00 N ATOM 430 CA GLY A 29 0.607 -13.813 5.377 1.00 0.00 C ATOM 431 C GLY A 29 -0.883 -13.738 5.647 1.00 0.00 C ATOM 432 O GLY A 29 -1.581 -14.751 5.600 1.00 0.00 O ATOM 0 H GLY A 29 1.833 -12.117 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.776 -13.851 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.002 -14.739 5.794 1.00 0.00 H new ATOM 436 N LYS A 30 -1.373 -12.535 5.932 1.00 0.00 N ATOM 437 CA LYS A 30 -2.791 -12.335 6.208 1.00 0.00 C ATOM 438 C LYS A 30 -3.516 -11.822 4.976 1.00 0.00 C ATOM 439 O LYS A 30 -3.069 -10.869 4.337 1.00 0.00 O ATOM 440 CB LYS A 30 -2.985 -11.336 7.349 1.00 0.00 C ATOM 441 CG LYS A 30 -1.681 -10.841 7.953 1.00 0.00 C ATOM 442 CD LYS A 30 -1.764 -10.764 9.470 1.00 0.00 C ATOM 443 CE LYS A 30 -3.084 -10.166 9.926 1.00 0.00 C ATOM 444 NZ LYS A 30 -4.073 -11.217 10.293 1.00 0.00 N ATOM 0 H LYS A 30 -0.810 -11.686 5.978 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.207 -13.301 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.552 -10.481 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.584 -11.802 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.869 -11.509 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.442 -9.857 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.650 -11.762 9.893 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.940 -10.161 9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.911 -9.515 10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.494 -9.543 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.914 -11.128 9.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.647 -12.156 10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.349 -11.101 11.289 1.00 0.00 H new ATOM 458 N GLU A 31 -4.645 -12.438 4.653 1.00 0.00 N ATOM 459 CA GLU A 31 -5.421 -12.008 3.505 1.00 0.00 C ATOM 460 C GLU A 31 -5.977 -10.614 3.762 1.00 0.00 C ATOM 461 O GLU A 31 -6.670 -10.388 4.755 1.00 0.00 O ATOM 462 CB GLU A 31 -6.567 -12.985 3.233 1.00 0.00 C ATOM 463 CG GLU A 31 -7.664 -12.408 2.354 1.00 0.00 C ATOM 464 CD GLU A 31 -8.991 -13.115 2.538 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.997 -14.363 2.593 1.00 0.00 O ATOM 466 OE2 GLU A 31 -10.026 -12.422 2.629 1.00 0.00 O ATOM 0 H GLU A 31 -5.038 -13.228 5.165 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.773 -11.986 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.165 -13.880 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.001 -13.297 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.786 -11.349 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.361 -12.478 1.309 1.00 0.00 H new ATOM 473 N GLY A 32 -5.673 -9.684 2.870 1.00 0.00 N ATOM 474 CA GLY A 32 -6.156 -8.334 3.034 1.00 0.00 C ATOM 475 C GLY A 32 -5.190 -7.442 3.782 1.00 0.00 C ATOM 476 O GLY A 32 -5.574 -6.378 4.258 1.00 0.00 O ATOM 0 H GLY A 32 -5.102 -9.841 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.352 -7.903 2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.106 -8.357 3.567 1.00 0.00 H new ATOM 480 N ALA A 33 -3.933 -7.855 3.897 1.00 0.00 N ATOM 481 CA ALA A 33 -2.965 -7.032 4.617 1.00 0.00 C ATOM 482 C ALA A 33 -2.457 -5.903 3.730 1.00 0.00 C ATOM 483 O ALA A 33 -1.851 -6.151 2.693 1.00 0.00 O ATOM 484 CB ALA A 33 -1.806 -7.891 5.102 1.00 0.00 C ATOM 0 H ALA A 33 -3.567 -8.727 3.515 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.459 -6.590 5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.090 -7.267 5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.182 -8.666 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.314 -8.355 4.247 1.00 0.00 H new ATOM 490 N PHE A 34 -2.704 -4.657 4.129 1.00 0.00 N ATOM 491 CA PHE A 34 -2.255 -3.525 3.335 1.00 0.00 C ATOM 492 C PHE A 34 -1.392 -2.544 4.112 1.00 0.00 C ATOM 493 O PHE A 34 -1.390 -2.515 5.343 1.00 0.00 O ATOM 494 CB PHE A 34 -3.442 -2.792 2.716 1.00 0.00 C ATOM 495 CG PHE A 34 -4.524 -2.435 3.694 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.290 -1.540 4.729 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.788 -2.979 3.560 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.298 -1.201 5.604 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.797 -2.644 4.439 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.553 -1.752 5.462 1.00 0.00 C ATOM 0 H PHE A 34 -3.204 -4.412 4.983 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.628 -3.944 2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.083 -1.880 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.869 -3.415 1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.309 -1.106 4.849 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.988 -3.674 2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.104 -0.501 6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.778 -3.080 4.326 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.343 -1.486 6.149 1.00 0.00 H new ATOM 510 N MET A 35 -0.691 -1.715 3.352 1.00 0.00 N ATOM 511 CA MET A 35 0.168 -0.670 3.896 1.00 0.00 C ATOM 512 C MET A 35 0.400 0.390 2.826 1.00 0.00 C ATOM 513 O MET A 35 0.671 0.059 1.676 1.00 0.00 O ATOM 514 CB MET A 35 1.504 -1.248 4.366 1.00 0.00 C ATOM 515 CG MET A 35 1.792 -2.637 3.826 1.00 0.00 C ATOM 516 SD MET A 35 2.540 -3.716 5.061 1.00 0.00 S ATOM 517 CE MET A 35 1.489 -3.394 6.473 1.00 0.00 C ATOM 0 H MET A 35 -0.702 -1.748 2.333 1.00 0.00 H new ATOM 0 HA MET A 35 -0.323 -0.221 4.760 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.307 -0.576 4.063 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.512 -1.283 5.455 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.864 -3.085 3.471 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.457 -2.558 2.966 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.907 -3.878 7.356 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.427 -2.319 6.643 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.491 -3.789 6.281 1.00 0.00 H new ATOM 527 N VAL A 36 0.288 1.662 3.187 1.00 0.00 N ATOM 528 CA VAL A 36 0.481 2.726 2.218 1.00 0.00 C ATOM 529 C VAL A 36 1.841 3.379 2.393 1.00 0.00 C ATOM 530 O VAL A 36 2.298 3.583 3.513 1.00 0.00 O ATOM 531 CB VAL A 36 -0.628 3.791 2.317 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.954 3.216 1.844 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.737 4.323 3.736 1.00 0.00 C ATOM 0 H VAL A 36 0.067 1.977 4.132 1.00 0.00 H new ATOM 0 HA VAL A 36 0.431 2.272 1.228 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.368 4.627 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.729 3.979 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.862 2.894 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.223 2.363 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.526 5.074 3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.974 3.504 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.211 4.774 4.029 1.00 0.00 H new ATOM 543 N ARG A 37 2.497 3.685 1.282 1.00 0.00 N ATOM 544 CA ARG A 37 3.811 4.290 1.330 1.00 0.00 C ATOM 545 C ARG A 37 3.840 5.654 0.655 1.00 0.00 C ATOM 546 O ARG A 37 3.019 5.956 -0.224 1.00 0.00 O ATOM 547 CB ARG A 37 4.849 3.373 0.681 1.00 0.00 C ATOM 548 CG ARG A 37 6.267 3.630 1.161 1.00 0.00 C ATOM 549 CD ARG A 37 6.983 4.637 0.277 1.00 0.00 C ATOM 550 NE ARG A 37 8.415 4.687 0.555 1.00 0.00 N ATOM 551 CZ ARG A 37 9.131 5.808 0.535 1.00 0.00 C ATOM 552 NH1 ARG A 37 8.547 6.963 0.246 1.00 0.00 N ATOM 553 NH2 ARG A 37 10.428 5.773 0.803 1.00 0.00 N ATOM 0 H ARG A 37 2.138 3.523 0.341 1.00 0.00 H new ATOM 0 HA ARG A 37 4.057 4.432 2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.586 2.336 0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.811 3.502 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.243 3.998 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.824 2.693 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.826 4.377 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.549 5.625 0.429 1.00 0.00 H new ATOM 0 HE ARG A 37 8.893 3.814 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.549 6.992 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.096 7.822 0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.879 4.886 1.025 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.975 6.634 0.787 1.00 0.00 H new ATOM 567 N ASP A 38 4.811 6.460 1.077 1.00 0.00 N ATOM 568 CA ASP A 38 5.009 7.799 0.543 1.00 0.00 C ATOM 569 C ASP A 38 5.154 7.753 -0.970 1.00 0.00 C ATOM 570 O ASP A 38 5.694 6.800 -1.527 1.00 0.00 O ATOM 571 CB ASP A 38 6.245 8.445 1.168 1.00 0.00 C ATOM 572 CG ASP A 38 5.901 9.327 2.351 1.00 0.00 C ATOM 573 OD1 ASP A 38 5.072 10.247 2.186 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.459 9.098 3.445 1.00 0.00 O ATOM 0 H ASP A 38 5.482 6.200 1.800 1.00 0.00 H new ATOM 0 HA ASP A 38 4.134 8.400 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.936 7.665 1.489 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.762 9.039 0.414 1.00 0.00 H new ATOM 579 N SER A 39 4.629 8.779 -1.624 1.00 0.00 N ATOM 580 CA SER A 39 4.652 8.869 -3.076 1.00 0.00 C ATOM 581 C SER A 39 6.051 8.704 -3.668 1.00 0.00 C ATOM 582 O SER A 39 6.432 9.470 -4.546 1.00 0.00 O ATOM 583 CB SER A 39 4.075 10.213 -3.520 1.00 0.00 C ATOM 584 OG SER A 39 3.227 10.759 -2.523 1.00 0.00 O ATOM 0 H SER A 39 4.177 9.570 -1.165 1.00 0.00 H new ATOM 0 HA SER A 39 4.045 8.044 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.887 10.909 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.516 10.084 -4.447 1.00 0.00 H new ATOM 0 HG SER A 39 2.548 10.098 -2.273 1.00 0.00 H new ATOM 590 N ARG A 40 6.804 7.693 -3.227 1.00 0.00 N ATOM 591 CA ARG A 40 8.132 7.458 -3.786 1.00 0.00 C ATOM 592 C ARG A 40 8.108 7.961 -5.214 1.00 0.00 C ATOM 593 O ARG A 40 9.062 8.558 -5.710 1.00 0.00 O ATOM 594 CB ARG A 40 8.486 5.969 -3.744 1.00 0.00 C ATOM 595 CG ARG A 40 9.808 5.679 -3.052 1.00 0.00 C ATOM 596 CD ARG A 40 10.143 6.744 -2.021 1.00 0.00 C ATOM 597 NE ARG A 40 11.028 7.770 -2.563 1.00 0.00 N ATOM 598 CZ ARG A 40 10.883 9.070 -2.325 1.00 0.00 C ATOM 599 NH1 ARG A 40 9.889 9.500 -1.557 1.00 0.00 N ATOM 600 NH2 ARG A 40 11.731 9.942 -2.855 1.00 0.00 N ATOM 0 H ARG A 40 6.522 7.037 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 40 8.890 7.982 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.690 5.429 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.526 5.584 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.760 4.704 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.604 5.627 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.223 7.209 -1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.616 6.277 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 40 11.801 7.473 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.235 8.833 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.780 10.498 -1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.495 9.615 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.618 10.939 -2.671 1.00 0.00 H new ATOM 614 N THR A 41 6.949 7.765 -5.829 1.00 0.00 N ATOM 615 CA THR A 41 6.674 8.239 -7.161 1.00 0.00 C ATOM 616 C THR A 41 5.825 9.488 -6.991 1.00 0.00 C ATOM 617 O THR A 41 4.632 9.501 -7.289 1.00 0.00 O ATOM 618 CB THR A 41 5.926 7.176 -7.965 1.00 0.00 C ATOM 619 OG1 THR A 41 6.247 5.879 -7.495 1.00 0.00 O ATOM 620 CG2 THR A 41 6.230 7.211 -9.446 1.00 0.00 C ATOM 0 H THR A 41 6.169 7.265 -5.403 1.00 0.00 H new ATOM 0 HA THR A 41 7.592 8.456 -7.708 1.00 0.00 H new ATOM 0 HB THR A 41 4.869 7.403 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.032 5.218 -8.186 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.664 6.429 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.949 8.183 -9.852 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.296 7.046 -9.603 1.00 0.00 H new ATOM 628 N PRO A 42 6.447 10.542 -6.444 1.00 0.00 N ATOM 629 CA PRO A 42 5.803 11.806 -6.142 1.00 0.00 C ATOM 630 C PRO A 42 4.565 12.096 -6.971 1.00 0.00 C ATOM 631 O PRO A 42 4.599 12.139 -8.201 1.00 0.00 O ATOM 632 CB PRO A 42 6.938 12.771 -6.393 1.00 0.00 C ATOM 633 CG PRO A 42 8.103 12.054 -5.784 1.00 0.00 C ATOM 634 CD PRO A 42 7.862 10.582 -6.036 1.00 0.00 C ATOM 0 HA PRO A 42 5.388 11.852 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.086 12.958 -7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.763 13.738 -5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.041 12.379 -6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.174 12.261 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.518 10.193 -6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.041 9.985 -5.142 1.00 0.00 H new ATOM 642 N GLY A 43 3.469 12.277 -6.248 1.00 0.00 N ATOM 643 CA GLY A 43 2.181 12.548 -6.844 1.00 0.00 C ATOM 644 C GLY A 43 1.070 12.115 -5.911 1.00 0.00 C ATOM 645 O GLY A 43 0.238 12.923 -5.498 1.00 0.00 O ATOM 0 H GLY A 43 3.454 12.239 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.089 13.612 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.094 12.021 -7.794 1.00 0.00 H new ATOM 649 N THR A 44 1.077 10.831 -5.564 1.00 0.00 N ATOM 650 CA THR A 44 0.088 10.271 -4.657 1.00 0.00 C ATOM 651 C THR A 44 0.747 9.358 -3.621 1.00 0.00 C ATOM 652 O THR A 44 1.971 9.301 -3.520 1.00 0.00 O ATOM 653 CB THR A 44 -0.963 9.494 -5.440 1.00 0.00 C ATOM 654 OG1 THR A 44 -1.698 8.645 -4.577 1.00 0.00 O ATOM 655 CG2 THR A 44 -0.373 8.643 -6.543 1.00 0.00 C ATOM 0 H THR A 44 1.764 10.157 -5.902 1.00 0.00 H new ATOM 0 HA THR A 44 -0.393 11.095 -4.131 1.00 0.00 H new ATOM 0 HB THR A 44 -1.609 10.245 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.592 7.714 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.173 8.115 -7.063 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.160 9.280 -7.249 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.320 7.919 -6.113 1.00 0.00 H new ATOM 663 N TYR A 45 -0.073 8.632 -2.868 1.00 0.00 N ATOM 664 CA TYR A 45 0.425 7.704 -1.852 1.00 0.00 C ATOM 665 C TYR A 45 0.282 6.267 -2.343 1.00 0.00 C ATOM 666 O TYR A 45 -0.677 5.940 -3.041 1.00 0.00 O ATOM 667 CB TYR A 45 -0.326 7.889 -0.533 1.00 0.00 C ATOM 668 CG TYR A 45 0.220 9.015 0.316 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.387 8.850 1.051 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.430 10.240 0.381 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.891 9.876 1.827 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.069 11.272 1.153 1.00 0.00 C ATOM 673 CZ TYR A 45 1.228 11.085 1.876 1.00 0.00 C ATOM 674 OH TYR A 45 1.728 12.109 2.647 1.00 0.00 O ATOM 0 H TYR A 45 -1.090 8.667 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 45 1.480 7.917 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.378 8.081 -0.746 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.281 6.960 0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.909 7.905 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.340 10.389 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.800 9.732 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.446 12.220 1.190 1.00 0.00 H new ATOM 0 HH TYR A 45 1.295 12.951 2.393 1.00 0.00 H new ATOM 684 N THR A 46 1.243 5.412 -2.001 1.00 0.00 N ATOM 685 CA THR A 46 1.198 4.019 -2.448 1.00 0.00 C ATOM 686 C THR A 46 0.625 3.104 -1.372 1.00 0.00 C ATOM 687 O THR A 46 0.854 3.314 -0.182 1.00 0.00 O ATOM 688 CB THR A 46 2.594 3.545 -2.843 1.00 0.00 C ATOM 689 OG1 THR A 46 2.533 2.685 -3.965 1.00 0.00 O ATOM 690 CG2 THR A 46 3.307 2.806 -1.734 1.00 0.00 C ATOM 0 H THR A 46 2.050 5.652 -1.426 1.00 0.00 H new ATOM 0 HA THR A 46 0.541 3.972 -3.316 1.00 0.00 H new ATOM 0 HB THR A 46 3.154 4.451 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.293 2.496 -2.079 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.414 3.462 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.728 1.926 -1.452 1.00 0.00 H new ATOM 698 N VAL A 47 -0.125 2.089 -1.800 1.00 0.00 N ATOM 699 CA VAL A 47 -0.732 1.146 -0.875 1.00 0.00 C ATOM 700 C VAL A 47 -0.328 -0.289 -1.181 1.00 0.00 C ATOM 701 O VAL A 47 -0.501 -0.774 -2.299 1.00 0.00 O ATOM 702 CB VAL A 47 -2.266 1.231 -0.906 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.883 0.192 0.026 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.733 2.636 -0.554 1.00 0.00 C ATOM 0 H VAL A 47 -0.324 1.903 -2.783 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.368 1.422 0.115 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.603 1.011 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.970 0.270 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.579 -0.806 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.541 0.369 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.822 2.675 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.386 2.895 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.326 3.346 -1.274 1.00 0.00 H new ATOM 714 N SER A 48 0.185 -0.971 -0.166 1.00 0.00 N ATOM 715 CA SER A 48 0.591 -2.361 -0.297 1.00 0.00 C ATOM 716 C SER A 48 -0.431 -3.256 0.393 1.00 0.00 C ATOM 717 O SER A 48 -0.567 -3.213 1.617 1.00 0.00 O ATOM 718 CB SER A 48 1.987 -2.580 0.308 1.00 0.00 C ATOM 719 OG SER A 48 2.546 -3.802 -0.142 1.00 0.00 O ATOM 0 H SER A 48 0.330 -0.579 0.764 1.00 0.00 H new ATOM 0 HA SER A 48 0.638 -2.617 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.641 -1.753 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.920 -2.585 1.396 1.00 0.00 H new ATOM 0 HG SER A 48 1.990 -4.172 -0.859 1.00 0.00 H new ATOM 725 N VAL A 49 -1.156 -4.051 -0.398 1.00 0.00 N ATOM 726 CA VAL A 49 -2.174 -4.950 0.130 1.00 0.00 C ATOM 727 C VAL A 49 -1.768 -6.406 -0.061 1.00 0.00 C ATOM 728 O VAL A 49 -1.099 -6.753 -1.036 1.00 0.00 O ATOM 729 CB VAL A 49 -3.544 -4.708 -0.524 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.664 -4.992 0.464 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.638 -3.282 -1.053 1.00 0.00 C ATOM 0 H VAL A 49 -1.052 -4.087 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.260 -4.738 1.196 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.651 -5.392 -1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.626 -4.815 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.607 -6.030 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.563 -4.334 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.614 -3.128 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.510 -2.579 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.857 -3.117 -1.796 1.00 0.00 H new ATOM 741 N PHE A 50 -2.158 -7.252 0.887 1.00 0.00 N ATOM 742 CA PHE A 50 -1.815 -8.668 0.835 1.00 0.00 C ATOM 743 C PHE A 50 -3.043 -9.553 0.989 1.00 0.00 C ATOM 744 O PHE A 50 -3.742 -9.484 2.005 1.00 0.00 O ATOM 745 CB PHE A 50 -0.793 -8.997 1.921 1.00 0.00 C ATOM 746 CG PHE A 50 -0.327 -10.422 1.914 1.00 0.00 C ATOM 747 CD1 PHE A 50 -0.703 -11.288 0.902 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.494 -10.891 2.923 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.266 -12.601 0.897 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.934 -12.198 2.925 1.00 0.00 C ATOM 751 CZ PHE A 50 0.553 -13.056 1.912 1.00 0.00 C ATOM 0 H PHE A 50 -2.711 -6.981 1.700 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.384 -8.869 -0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.071 -8.343 1.801 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.229 -8.774 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.344 -10.935 0.108 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.794 -10.226 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.564 -13.268 0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.576 -12.551 3.718 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.895 -14.081 1.913 1.00 0.00 H new ATOM 761 N THR A 51 -3.281 -10.391 -0.019 1.00 0.00 N ATOM 762 CA THR A 51 -4.405 -11.315 -0.015 1.00 0.00 C ATOM 763 C THR A 51 -3.916 -12.757 0.087 1.00 0.00 C ATOM 764 O THR A 51 -2.975 -13.153 -0.600 1.00 0.00 O ATOM 765 CB THR A 51 -5.243 -11.137 -1.282 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.529 -10.634 -0.966 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.430 -12.421 -2.062 1.00 0.00 C ATOM 0 H THR A 51 -2.701 -10.446 -0.856 1.00 0.00 H new ATOM 0 HA THR A 51 -5.025 -11.095 0.854 1.00 0.00 H new ATOM 0 HB THR A 51 -4.685 -10.434 -1.901 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.212 -11.184 -1.403 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.033 -12.224 -2.948 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.457 -12.808 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.935 -13.157 -1.436 1.00 0.00 H new ATOM 775 N LYS A 52 -4.557 -13.537 0.952 1.00 0.00 N ATOM 776 CA LYS A 52 -4.178 -14.933 1.141 1.00 0.00 C ATOM 777 C LYS A 52 -5.167 -15.866 0.446 1.00 0.00 C ATOM 778 O LYS A 52 -6.333 -15.950 0.831 1.00 0.00 O ATOM 779 CB LYS A 52 -4.104 -15.268 2.631 1.00 0.00 C ATOM 780 CG LYS A 52 -2.698 -15.196 3.202 1.00 0.00 C ATOM 781 CD LYS A 52 -2.253 -16.540 3.757 1.00 0.00 C ATOM 782 CE LYS A 52 -0.918 -16.967 3.173 1.00 0.00 C ATOM 783 NZ LYS A 52 -0.792 -18.450 3.101 1.00 0.00 N ATOM 0 H LYS A 52 -5.338 -13.228 1.531 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.194 -15.078 0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.746 -14.581 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.500 -16.271 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.005 -14.874 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.663 -14.445 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.174 -16.479 4.842 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.007 -17.295 3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.807 -16.544 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.109 -16.563 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.213 -18.711 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.213 -18.876 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.288 -18.800 2.256 1.00 0.00 H new ATOM 797 N ALA A 53 -4.690 -16.567 -0.578 1.00 0.00 N ATOM 798 CA ALA A 53 -5.523 -17.493 -1.326 1.00 0.00 C ATOM 799 C ALA A 53 -5.258 -18.933 -0.902 1.00 0.00 C ATOM 800 O ALA A 53 -4.167 -19.463 -1.112 1.00 0.00 O ATOM 801 CB ALA A 53 -5.284 -17.330 -2.820 1.00 0.00 C ATOM 0 H ALA A 53 -3.726 -16.508 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.566 -17.262 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.915 -18.030 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.529 -16.311 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.237 -17.532 -3.045 1.00 0.00 H new ATOM 807 N ILE A 54 -6.263 -19.563 -0.302 1.00 0.00 N ATOM 808 CA ILE A 54 -6.137 -20.941 0.151 1.00 0.00 C ATOM 809 C ILE A 54 -6.177 -21.913 -1.022 1.00 0.00 C ATOM 810 O ILE A 54 -7.010 -21.786 -1.919 1.00 0.00 O ATOM 811 CB ILE A 54 -7.253 -21.309 1.149 1.00 0.00 C ATOM 812 CG1 ILE A 54 -8.146 -22.408 0.572 1.00 0.00 C ATOM 813 CG2 ILE A 54 -8.076 -20.078 1.500 1.00 0.00 C ATOM 814 CD1 ILE A 54 -9.050 -23.054 1.600 1.00 0.00 C ATOM 0 H ILE A 54 -7.173 -19.140 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.172 -21.022 0.651 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.792 -21.687 2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.759 -21.986 -0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.518 -23.175 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.860 -20.353 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.430 -19.325 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.528 -19.673 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.655 -23.824 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.444 -23.506 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.704 -22.298 2.036 1.00 0.00 H new ATOM 826 N ILE A 55 -5.270 -22.885 -1.007 1.00 0.00 N ATOM 827 CA ILE A 55 -5.202 -23.883 -2.070 1.00 0.00 C ATOM 828 C ILE A 55 -4.105 -23.547 -3.075 1.00 0.00 C ATOM 829 O ILE A 55 -3.172 -22.803 -2.768 1.00 0.00 O ATOM 830 CB ILE A 55 -6.545 -24.004 -2.813 1.00 0.00 C ATOM 831 CG1 ILE A 55 -6.735 -25.428 -3.340 1.00 0.00 C ATOM 832 CG2 ILE A 55 -6.613 -22.998 -3.953 1.00 0.00 C ATOM 833 CD1 ILE A 55 -7.137 -25.485 -4.797 1.00 0.00 C ATOM 0 H ILE A 55 -4.573 -23.003 -0.272 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.972 -24.836 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.351 -23.785 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.807 -25.983 -3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.496 -25.930 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.568 -23.096 -4.468 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.518 -21.988 -3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.801 -23.188 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.254 -26.525 -5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.081 -24.958 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.366 -25.013 -5.406 1.00 0.00 H new ATOM 845 N SER A 56 -4.224 -24.104 -4.276 1.00 0.00 N ATOM 846 CA SER A 56 -3.243 -23.870 -5.332 1.00 0.00 C ATOM 847 C SER A 56 -3.090 -22.380 -5.622 1.00 0.00 C ATOM 848 O SER A 56 -2.046 -21.938 -6.098 1.00 0.00 O ATOM 849 CB SER A 56 -3.653 -24.609 -6.606 1.00 0.00 C ATOM 850 OG SER A 56 -2.769 -24.313 -7.674 1.00 0.00 O ATOM 0 H SER A 56 -4.991 -24.721 -4.543 1.00 0.00 H new ATOM 0 HA SER A 56 -2.281 -24.251 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.658 -25.683 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.669 -24.328 -6.882 1.00 0.00 H new ATOM 0 HG SER A 56 -3.052 -24.799 -8.477 1.00 0.00 H new ATOM 856 N GLU A 57 -4.137 -21.614 -5.336 1.00 0.00 N ATOM 857 CA GLU A 57 -4.120 -20.174 -5.572 1.00 0.00 C ATOM 858 C GLU A 57 -3.038 -19.492 -4.738 1.00 0.00 C ATOM 859 O GLU A 57 -2.667 -18.348 -5.001 1.00 0.00 O ATOM 860 CB GLU A 57 -5.485 -19.567 -5.247 1.00 0.00 C ATOM 861 CG GLU A 57 -6.655 -20.455 -5.640 1.00 0.00 C ATOM 862 CD GLU A 57 -7.652 -20.637 -4.513 1.00 0.00 C ATOM 863 OE1 GLU A 57 -7.367 -20.175 -3.388 1.00 0.00 O ATOM 864 OE2 GLU A 57 -8.718 -21.241 -4.754 1.00 0.00 O ATOM 0 H GLU A 57 -5.009 -21.966 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.896 -20.010 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.537 -19.363 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.579 -18.609 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.162 -20.022 -6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.279 -21.430 -5.948 1.00 0.00 H new ATOM 871 N ASN A 58 -2.536 -20.202 -3.734 1.00 0.00 N ATOM 872 CA ASN A 58 -1.497 -19.668 -2.859 1.00 0.00 C ATOM 873 C ASN A 58 -1.802 -18.227 -2.462 1.00 0.00 C ATOM 874 O ASN A 58 -2.738 -17.615 -2.973 1.00 0.00 O ATOM 875 CB ASN A 58 -0.128 -19.739 -3.540 1.00 0.00 C ATOM 876 CG ASN A 58 -0.176 -19.303 -4.989 1.00 0.00 C ATOM 877 OD1 ASN A 58 -0.913 -20.048 -5.802 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 0.438 -18.308 -5.372 1.00 0.00 N flip ATOM 0 H ASN A 58 -2.832 -21.151 -3.505 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.477 -20.280 -1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.577 -19.109 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.249 -20.760 -3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.993 -17.765 -4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.392 -18.026 -6.351 1.00 0.00 H new ATOM 885 N PRO A 59 -1.007 -17.670 -1.536 1.00 0.00 N ATOM 886 CA PRO A 59 -1.185 -16.293 -1.061 1.00 0.00 C ATOM 887 C PRO A 59 -1.051 -15.270 -2.182 1.00 0.00 C ATOM 888 O PRO A 59 -0.108 -15.319 -2.972 1.00 0.00 O ATOM 889 CB PRO A 59 -0.056 -16.111 -0.039 1.00 0.00 C ATOM 890 CG PRO A 59 0.355 -17.492 0.340 1.00 0.00 C ATOM 891 CD PRO A 59 0.125 -18.338 -0.879 1.00 0.00 C ATOM 0 HA PRO A 59 -2.181 -16.137 -0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.778 -15.556 -0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.399 -15.550 0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.402 -17.519 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.230 -17.856 1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.005 -18.367 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.112 -19.369 -0.616 1.00 0.00 H new ATOM 899 N CYS A 60 -1.997 -14.338 -2.242 1.00 0.00 N ATOM 900 CA CYS A 60 -1.978 -13.297 -3.262 1.00 0.00 C ATOM 901 C CYS A 60 -1.809 -11.925 -2.620 1.00 0.00 C ATOM 902 O CYS A 60 -2.681 -11.458 -1.887 1.00 0.00 O ATOM 903 CB CYS A 60 -3.268 -13.335 -4.083 1.00 0.00 C ATOM 904 SG CYS A 60 -3.107 -14.194 -5.668 1.00 0.00 S ATOM 0 H CYS A 60 -2.785 -14.283 -1.597 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.132 -13.480 -3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.046 -13.822 -3.495 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.599 -12.313 -4.267 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.249 -14.176 -6.289 1.00 0.00 H new ATOM 910 N ILE A 61 -0.681 -11.285 -2.900 1.00 0.00 N ATOM 911 CA ILE A 61 -0.389 -9.969 -2.350 1.00 0.00 C ATOM 912 C ILE A 61 -0.434 -8.900 -3.437 1.00 0.00 C ATOM 913 O ILE A 61 0.047 -9.121 -4.550 1.00 0.00 O ATOM 914 CB ILE A 61 0.992 -9.951 -1.675 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.401 -8.522 -1.337 1.00 0.00 C ATOM 916 CG2 ILE A 61 2.026 -10.612 -2.575 1.00 0.00 C ATOM 917 CD1 ILE A 61 1.454 -8.254 0.149 1.00 0.00 C ATOM 0 H ILE A 61 0.049 -11.658 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.154 -9.750 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 61 0.935 -10.516 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.380 -8.319 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.697 -7.830 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.000 -10.593 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.736 -11.645 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.084 -10.072 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.751 -7.220 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.470 -8.426 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.179 -8.922 0.614 1.00 0.00 H new ATOM 929 N LYS A 62 -1.021 -7.748 -3.124 1.00 0.00 N ATOM 930 CA LYS A 62 -1.125 -6.668 -4.102 1.00 0.00 C ATOM 931 C LYS A 62 -0.966 -5.289 -3.469 1.00 0.00 C ATOM 932 O LYS A 62 -1.523 -5.007 -2.406 1.00 0.00 O ATOM 933 CB LYS A 62 -2.467 -6.747 -4.831 1.00 0.00 C ATOM 934 CG LYS A 62 -3.083 -5.388 -5.124 1.00 0.00 C ATOM 935 CD LYS A 62 -4.598 -5.441 -5.048 1.00 0.00 C ATOM 936 CE LYS A 62 -5.084 -5.354 -3.609 1.00 0.00 C ATOM 937 NZ LYS A 62 -5.273 -3.945 -3.173 1.00 0.00 N ATOM 0 H LYS A 62 -1.428 -7.539 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.307 -6.800 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.330 -7.284 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.164 -7.330 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.706 -4.654 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.778 -5.054 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.022 -4.621 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.954 -6.367 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.026 -5.894 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.365 -5.844 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.791 -3.927 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.345 -3.493 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.815 -3.428 -3.894 1.00 0.00 H new ATOM 951 N HIS A 63 -0.226 -4.424 -4.153 1.00 0.00 N ATOM 952 CA HIS A 63 -0.006 -3.055 -3.700 1.00 0.00 C ATOM 953 C HIS A 63 -0.538 -2.074 -4.741 1.00 0.00 C ATOM 954 O HIS A 63 -0.221 -2.192 -5.924 1.00 0.00 O ATOM 955 CB HIS A 63 1.484 -2.808 -3.457 1.00 0.00 C ATOM 956 CG HIS A 63 2.244 -4.044 -3.093 1.00 0.00 C ATOM 957 ND1 HIS A 63 1.985 -4.985 -2.151 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 3.409 -4.438 -3.714 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 2.983 -5.956 -2.187 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 3.813 -5.582 -3.142 1.00 0.00 N flip ATOM 0 H HIS A 63 0.237 -4.650 -5.033 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.540 -2.904 -2.762 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.923 -2.373 -4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.597 -2.074 -2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.908 -3.918 -4.518 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.061 -6.834 -1.562 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.652 -6.096 -3.410 1.00 0.00 H new ATOM 968 N TYR A 64 -1.346 -1.107 -4.311 1.00 0.00 N ATOM 969 CA TYR A 64 -1.899 -0.130 -5.241 1.00 0.00 C ATOM 970 C TYR A 64 -1.505 1.291 -4.863 1.00 0.00 C ATOM 971 O TYR A 64 -1.495 1.659 -3.686 1.00 0.00 O ATOM 972 CB TYR A 64 -3.419 -0.259 -5.333 1.00 0.00 C ATOM 973 CG TYR A 64 -4.123 -0.110 -4.015 1.00 0.00 C ATOM 974 CD1 TYR A 64 -4.045 1.073 -3.310 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.861 -1.153 -3.479 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.680 1.218 -2.101 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.501 -1.018 -2.270 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.409 0.172 -1.581 1.00 0.00 C ATOM 979 OH TYR A 64 -6.047 0.315 -0.373 1.00 0.00 O ATOM 0 H TYR A 64 -1.628 -0.981 -3.339 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.475 -0.343 -6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.797 0.496 -6.023 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.666 -1.232 -5.758 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.476 1.897 -3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.934 -2.085 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.608 2.150 -1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.072 -1.839 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.853 0.859 -0.491 1.00 0.00 H new ATOM 989 N HIS A 65 -1.179 2.087 -5.878 1.00 0.00 N ATOM 990 CA HIS A 65 -0.787 3.473 -5.670 1.00 0.00 C ATOM 991 C HIS A 65 -2.001 4.383 -5.780 1.00 0.00 C ATOM 992 O HIS A 65 -2.657 4.438 -6.821 1.00 0.00 O ATOM 993 CB HIS A 65 0.275 3.892 -6.689 1.00 0.00 C ATOM 994 CG HIS A 65 0.882 5.235 -6.409 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.297 6.111 -7.386 1.00 0.00 N ATOM 996 CD2 HIS A 65 1.140 5.847 -5.225 1.00 0.00 C ATOM 997 CE1 HIS A 65 1.785 7.202 -6.781 1.00 0.00 C ATOM 998 NE2 HIS A 65 1.713 7.093 -5.470 1.00 0.00 N ATOM 0 H HIS A 65 -1.179 1.792 -6.854 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.363 3.564 -4.670 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.066 3.142 -6.706 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.173 3.905 -7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.934 5.434 -4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.186 8.060 -7.301 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.014 7.779 -4.778 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.299 5.088 -4.701 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.439 5.992 -4.675 1.00 0.00 C ATOM 1008 C ILE A 66 -3.345 7.017 -5.795 1.00 0.00 C ATOM 1009 O ILE A 66 -2.264 7.496 -6.119 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.549 6.727 -3.326 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.616 5.721 -2.175 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.768 7.636 -3.314 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -2.353 5.662 -1.348 1.00 0.00 C ATOM 0 H ILE A 66 -1.768 5.052 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.331 5.381 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.660 7.344 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.453 5.979 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.821 4.730 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.831 8.148 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.680 8.373 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.668 7.040 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.474 4.928 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.515 5.374 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.157 6.642 -0.912 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.483 7.351 -6.386 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.515 8.326 -7.464 1.00 0.00 C ATOM 1027 C LYS A 67 -5.154 9.621 -6.982 1.00 0.00 C ATOM 1028 O LYS A 67 -6.202 9.606 -6.343 1.00 0.00 O ATOM 1029 CB LYS A 67 -5.266 7.771 -8.671 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.517 6.653 -9.374 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.259 5.335 -9.265 1.00 0.00 C ATOM 1032 CE LYS A 67 -6.417 5.262 -10.247 1.00 0.00 C ATOM 1033 NZ LYS A 67 -6.263 4.130 -11.202 1.00 0.00 N ATOM 0 H LYS A 67 -5.393 6.962 -6.138 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.491 8.537 -7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.239 7.402 -8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.451 8.578 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.380 6.909 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.523 6.550 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.569 4.512 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.634 5.211 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.352 5.150 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.483 6.198 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.788 4.339 -12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.256 3.999 -11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.638 3.260 -10.773 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.497 10.734 -7.275 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.978 12.046 -6.851 1.00 0.00 C ATOM 1049 C GLU A 68 -5.952 12.649 -7.859 1.00 0.00 C ATOM 1050 O GLU A 68 -5.886 12.366 -9.054 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.797 12.997 -6.640 1.00 0.00 C ATOM 1052 CG GLU A 68 -4.118 14.171 -5.730 1.00 0.00 C ATOM 1053 CD GLU A 68 -4.088 15.499 -6.461 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -5.094 15.838 -7.118 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -3.059 16.200 -6.375 1.00 0.00 O ATOM 0 H GLU A 68 -3.627 10.757 -7.806 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.513 11.910 -5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.962 12.438 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.469 13.377 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.104 14.025 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.402 14.196 -4.909 1.00 0.00 H new ATOM 1062 N THR A 69 -6.849 13.490 -7.354 1.00 0.00 N ATOM 1063 CA THR A 69 -7.843 14.154 -8.183 1.00 0.00 C ATOM 1064 C THR A 69 -8.455 15.330 -7.430 1.00 0.00 C ATOM 1065 O THR A 69 -8.204 15.511 -6.238 1.00 0.00 O ATOM 1066 CB THR A 69 -8.936 13.170 -8.600 1.00 0.00 C ATOM 1067 OG1 THR A 69 -10.221 13.728 -8.388 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.878 11.856 -7.852 1.00 0.00 C ATOM 0 H THR A 69 -6.906 13.728 -6.364 1.00 0.00 H new ATOM 0 HA THR A 69 -7.351 14.527 -9.081 1.00 0.00 H new ATOM 0 HB THR A 69 -8.759 12.975 -9.658 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.907 13.084 -8.662 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.681 11.205 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.917 11.375 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.993 12.040 -6.784 1.00 0.00 H new ATOM 1076 N ASN A 70 -9.255 16.129 -8.125 1.00 0.00 N ATOM 1077 CA ASN A 70 -9.893 17.286 -7.510 1.00 0.00 C ATOM 1078 C ASN A 70 -11.410 17.191 -7.616 1.00 0.00 C ATOM 1079 O ASN A 70 -12.083 18.181 -7.906 1.00 0.00 O ATOM 1080 CB ASN A 70 -9.404 18.576 -8.171 1.00 0.00 C ATOM 1081 CG ASN A 70 -10.164 19.797 -7.690 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -10.330 20.005 -6.487 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -10.631 20.611 -8.629 1.00 0.00 N ATOM 0 H ASN A 70 -9.477 15.998 -9.112 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.621 17.301 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.342 18.707 -7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.509 18.489 -9.252 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.151 21.448 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.470 20.399 -9.614 1.00 0.00 H new ATOM 1090 N ASP A 71 -11.945 15.997 -7.388 1.00 0.00 N ATOM 1091 CA ASP A 71 -13.387 15.781 -7.465 1.00 0.00 C ATOM 1092 C ASP A 71 -14.131 16.714 -6.516 1.00 0.00 C ATOM 1093 O ASP A 71 -13.910 17.924 -6.521 1.00 0.00 O ATOM 1094 CB ASP A 71 -13.724 14.328 -7.136 1.00 0.00 C ATOM 1095 CG ASP A 71 -15.109 13.933 -7.610 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -16.097 14.383 -6.994 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -15.204 13.173 -8.595 1.00 0.00 O ATOM 0 H ASP A 71 -11.405 15.165 -7.149 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.706 16.000 -8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.985 13.673 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.655 14.177 -6.059 1.00 0.00 H new ATOM 1102 N SER A 72 -15.013 16.145 -5.696 1.00 0.00 N ATOM 1103 CA SER A 72 -15.780 16.932 -4.743 1.00 0.00 C ATOM 1104 C SER A 72 -16.190 16.117 -3.516 1.00 0.00 C ATOM 1105 O SER A 72 -17.333 15.673 -3.420 1.00 0.00 O ATOM 1106 CB SER A 72 -17.023 17.513 -5.418 1.00 0.00 C ATOM 1107 OG SER A 72 -18.070 16.559 -5.465 1.00 0.00 O ATOM 0 H SER A 72 -15.211 15.145 -5.675 1.00 0.00 H new ATOM 0 HA SER A 72 -15.135 17.741 -4.400 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.356 18.397 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.775 17.835 -6.429 1.00 0.00 H new ATOM 0 HG SER A 72 -18.340 16.325 -4.553 1.00 0.00 H new ATOM 1113 N PRO A 73 -15.273 15.903 -2.558 1.00 0.00 N ATOM 1114 CA PRO A 73 -13.908 16.390 -2.596 1.00 0.00 C ATOM 1115 C PRO A 73 -12.912 15.283 -2.933 1.00 0.00 C ATOM 1116 O PRO A 73 -11.758 15.321 -2.507 1.00 0.00 O ATOM 1117 CB PRO A 73 -13.725 16.824 -1.147 1.00 0.00 C ATOM 1118 CG PRO A 73 -14.542 15.842 -0.349 1.00 0.00 C ATOM 1119 CD PRO A 73 -15.491 15.159 -1.318 1.00 0.00 C ATOM 0 HA PRO A 73 -13.740 17.161 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.675 16.796 -0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.072 17.846 -0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.897 15.111 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.097 16.353 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.258 14.100 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.527 15.223 -0.984 1.00 0.00 H new ATOM 1127 N LYS A 74 -13.375 14.286 -3.679 1.00 0.00 N ATOM 1128 CA LYS A 74 -12.531 13.153 -4.052 1.00 0.00 C ATOM 1129 C LYS A 74 -11.149 13.621 -4.497 1.00 0.00 C ATOM 1130 O LYS A 74 -10.997 14.238 -5.553 1.00 0.00 O ATOM 1131 CB LYS A 74 -13.199 12.342 -5.163 1.00 0.00 C ATOM 1132 CG LYS A 74 -14.715 12.459 -5.176 1.00 0.00 C ATOM 1133 CD LYS A 74 -15.328 11.647 -6.304 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.862 10.314 -5.806 1.00 0.00 C ATOM 1135 NZ LYS A 74 -16.132 9.370 -6.926 1.00 0.00 N ATOM 0 H LYS A 74 -14.329 14.238 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.406 12.518 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.809 12.672 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.925 11.293 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.115 12.117 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.999 13.506 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.137 12.215 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.580 11.474 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.141 9.868 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.779 10.479 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.127 9.068 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.943 9.844 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.515 8.538 -6.835 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.144 13.331 -3.673 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.771 13.725 -3.960 1.00 0.00 C ATOM 1151 C ARG A 75 -7.926 12.540 -4.431 1.00 0.00 C ATOM 1152 O ARG A 75 -7.366 12.573 -5.524 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.148 14.373 -2.727 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.470 15.701 -3.016 1.00 0.00 C ATOM 1155 CD ARG A 75 -8.488 16.819 -3.166 1.00 0.00 C ATOM 1156 NE ARG A 75 -9.739 16.344 -3.754 1.00 0.00 N ATOM 1157 CZ ARG A 75 -10.534 17.104 -4.499 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -10.212 18.367 -4.740 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -11.653 16.601 -5.003 1.00 0.00 N ATOM 0 H ARG A 75 -10.259 12.821 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.792 14.449 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.923 14.526 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.418 13.688 -2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.778 15.942 -2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.879 15.619 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.690 17.259 -2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.070 17.608 -3.791 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.016 15.377 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.352 18.757 -4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.824 18.949 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.904 15.630 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.263 17.186 -5.575 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.833 11.490 -3.614 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.050 10.319 -3.992 1.00 0.00 C ATOM 1175 C TYR A 76 -7.949 9.138 -4.312 1.00 0.00 C ATOM 1176 O TYR A 76 -9.069 9.039 -3.813 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.069 9.904 -2.896 1.00 0.00 C ATOM 1178 CG TYR A 76 -5.968 10.865 -1.745 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.138 12.222 -1.935 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.696 10.404 -0.468 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.043 13.106 -0.880 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.597 11.274 0.598 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.773 12.628 0.388 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.675 13.504 1.445 1.00 0.00 O ATOM 0 H TYR A 76 -8.283 11.428 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.485 10.605 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.367 8.928 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.080 9.784 -3.339 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.349 12.598 -2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.559 9.345 -0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.179 14.165 -1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.384 10.900 1.588 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.570 13.812 1.698 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.441 8.240 -5.139 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.189 7.052 -5.522 1.00 0.00 C ATOM 1196 C TYR A 77 -7.275 5.936 -5.997 1.00 0.00 C ATOM 1197 O TYR A 77 -6.359 6.160 -6.785 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.181 7.376 -6.637 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.537 7.950 -7.881 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.987 9.227 -7.867 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.484 7.223 -9.070 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -7.402 9.764 -8.998 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.898 7.756 -10.203 1.00 0.00 C ATOM 1204 CZ TYR A 77 -7.361 9.024 -10.162 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.779 9.557 -11.290 1.00 0.00 O ATOM 0 H TYR A 77 -6.514 8.310 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.721 6.717 -4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.721 6.468 -6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.918 8.086 -6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.017 9.809 -6.957 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.907 6.230 -9.106 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.979 10.757 -8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.861 7.181 -11.116 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.831 8.908 -12.023 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.577 4.721 -5.564 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.829 3.558 -5.999 1.00 0.00 C ATOM 1217 C VAL A 78 -7.773 2.696 -6.822 1.00 0.00 C ATOM 1218 O VAL A 78 -7.967 1.509 -6.560 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.281 2.747 -4.808 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -5.160 3.505 -4.114 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -7.399 2.426 -3.830 1.00 0.00 C ATOM 0 H VAL A 78 -8.335 4.518 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.967 3.879 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.873 1.809 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.787 2.916 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.350 3.684 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.539 4.459 -3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.998 1.853 -2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.835 3.353 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.167 1.841 -4.335 1.00 0.00 H new ATOM 1231 N ALA A 79 -8.370 3.348 -7.812 1.00 0.00 N ATOM 1232 CA ALA A 79 -9.330 2.732 -8.711 1.00 0.00 C ATOM 1233 C ALA A 79 -9.874 3.794 -9.661 1.00 0.00 C ATOM 1234 O ALA A 79 -9.749 4.985 -9.396 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.449 2.071 -7.927 1.00 0.00 C ATOM 0 H ALA A 79 -8.197 4.333 -8.013 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.838 1.953 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.158 1.615 -8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.032 1.303 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.962 2.820 -7.323 1.00 0.00 H new ATOM 1241 N GLU A 80 -10.459 3.376 -10.768 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.987 4.323 -11.740 1.00 0.00 C ATOM 1243 C GLU A 80 -12.455 4.641 -11.501 1.00 0.00 C ATOM 1244 O GLU A 80 -13.314 4.385 -12.345 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.777 3.805 -13.160 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.971 2.520 -13.222 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.405 2.251 -14.604 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.151 1.729 -15.459 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.217 2.564 -14.830 1.00 0.00 O ATOM 0 H GLU A 80 -10.581 2.395 -11.018 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.433 5.253 -11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.749 3.638 -13.625 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.270 4.571 -13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.154 2.573 -12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.604 1.684 -12.924 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.716 5.234 -10.350 1.00 0.00 N ATOM 1257 CA LYS A 81 -14.062 5.643 -9.969 1.00 0.00 C ATOM 1258 C LYS A 81 -14.144 5.847 -8.460 1.00 0.00 C ATOM 1259 O LYS A 81 -15.006 6.573 -7.966 1.00 0.00 O ATOM 1260 CB LYS A 81 -15.105 4.631 -10.446 1.00 0.00 C ATOM 1261 CG LYS A 81 -14.640 3.189 -10.401 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.421 2.408 -9.364 1.00 0.00 C ATOM 1263 CE LYS A 81 -15.365 3.097 -8.015 1.00 0.00 C ATOM 1264 NZ LYS A 81 -16.618 3.844 -7.717 1.00 0.00 N ATOM 0 H LYS A 81 -12.004 5.447 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.283 6.592 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -16.000 4.732 -9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.392 4.877 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.767 2.730 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.576 3.152 -10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.458 2.308 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.015 1.400 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.192 2.355 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.519 3.785 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.396 4.849 -7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.276 3.750 -8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.058 3.455 -6.859 1.00 0.00 H new ATOM 1278 N TYR A 82 -13.214 5.227 -7.736 1.00 0.00 N ATOM 1279 CA TYR A 82 -13.154 5.367 -6.286 1.00 0.00 C ATOM 1280 C TYR A 82 -12.195 6.496 -5.923 1.00 0.00 C ATOM 1281 O TYR A 82 -11.028 6.252 -5.618 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.675 4.073 -5.618 1.00 0.00 C ATOM 1283 CG TYR A 82 -13.223 2.801 -6.224 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.928 2.445 -7.534 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -14.021 1.943 -5.476 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.416 1.275 -8.082 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -14.511 0.770 -6.017 1.00 0.00 C ATOM 1288 CZ TYR A 82 -14.205 0.440 -7.320 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.692 -0.727 -7.862 1.00 0.00 O ATOM 0 H TYR A 82 -12.493 4.624 -8.131 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.159 5.590 -5.928 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.586 4.040 -5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.949 4.103 -4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.307 3.094 -8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.262 2.198 -4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.180 1.015 -9.103 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.130 0.115 -5.422 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.229 -1.200 -7.192 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.684 7.731 -5.962 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.858 8.878 -5.647 1.00 0.00 C ATOM 1301 C VAL A 83 -12.247 9.464 -4.305 1.00 0.00 C ATOM 1302 O VAL A 83 -13.417 9.748 -4.049 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.955 9.962 -6.737 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.745 9.900 -7.657 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.243 9.808 -7.530 1.00 0.00 C ATOM 0 H VAL A 83 -13.647 7.957 -6.209 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.825 8.532 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.968 10.939 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.829 10.672 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.837 10.062 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.700 8.921 -8.134 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.294 10.582 -8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.263 8.827 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.097 9.904 -6.859 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.257 9.628 -3.448 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.487 10.165 -2.121 1.00 0.00 C ATOM 1317 C PHE A 84 -10.293 11.003 -1.661 1.00 0.00 C ATOM 1318 O PHE A 84 -9.145 10.684 -1.972 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.746 9.021 -1.147 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.450 7.854 -1.775 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.775 7.003 -2.638 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.788 7.608 -1.507 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -12.422 5.930 -3.220 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.438 6.534 -2.086 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.754 5.695 -2.943 1.00 0.00 C ATOM 0 H PHE A 84 -10.284 9.396 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.361 10.816 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.796 8.683 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.343 9.391 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.733 7.181 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.328 8.262 -0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.886 5.275 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.480 6.351 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 84 -14.260 4.856 -3.396 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.567 12.077 -0.927 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.516 12.961 -0.435 1.00 0.00 C ATOM 1337 C ASP A 85 -8.857 12.403 0.818 1.00 0.00 C ATOM 1338 O ASP A 85 -8.235 13.136 1.586 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.076 14.357 -0.157 1.00 0.00 C ATOM 1340 CG ASP A 85 -9.045 15.281 0.459 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -7.838 15.061 0.230 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -9.445 16.227 1.169 1.00 0.00 O ATOM 0 H ASP A 85 -11.511 12.357 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.755 13.031 -1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.439 14.792 -1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.933 14.275 0.512 1.00 0.00 H new ATOM 1347 N SER A 86 -8.994 11.103 1.014 1.00 0.00 N ATOM 1348 CA SER A 86 -8.413 10.434 2.166 1.00 0.00 C ATOM 1349 C SER A 86 -7.978 9.029 1.786 1.00 0.00 C ATOM 1350 O SER A 86 -8.807 8.168 1.489 1.00 0.00 O ATOM 1351 CB SER A 86 -9.413 10.389 3.324 1.00 0.00 C ATOM 1352 OG SER A 86 -9.156 11.418 4.262 1.00 0.00 O ATOM 0 H SER A 86 -9.507 10.485 0.385 1.00 0.00 H new ATOM 0 HA SER A 86 -7.539 10.997 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.427 10.491 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.357 9.420 3.819 1.00 0.00 H new ATOM 0 HG SER A 86 -9.810 11.368 4.990 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.678 8.789 1.794 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.177 7.478 1.447 1.00 0.00 C ATOM 1360 C ILE A 87 -6.790 6.448 2.383 1.00 0.00 C ATOM 1361 O ILE A 87 -7.205 5.366 1.966 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.642 7.410 1.525 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.021 7.868 0.205 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.198 6.000 1.856 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.463 9.273 0.257 1.00 0.00 C ATOM 0 H ILE A 87 -5.963 9.476 2.034 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.459 7.267 0.416 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.302 8.078 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.223 7.178 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.775 7.814 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.110 5.964 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.618 5.703 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.547 5.317 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.038 9.532 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.262 9.973 0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.686 9.328 1.020 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.889 6.797 3.668 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.488 5.927 4.674 1.00 0.00 C ATOM 1379 C PRO A 88 -8.971 5.722 4.398 1.00 0.00 C ATOM 1380 O PRO A 88 -9.461 4.592 4.400 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.271 6.679 5.993 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.252 7.726 5.683 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.451 8.075 4.240 1.00 0.00 C ATOM 0 HA PRO A 88 -7.046 4.931 4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.199 7.126 6.349 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.920 6.007 6.776 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.385 8.601 6.319 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.243 7.354 5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.199 8.857 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.531 8.434 3.778 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.675 6.816 4.116 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.088 6.724 3.789 1.00 0.00 C ATOM 1393 C LEU A 89 -11.220 5.900 2.527 1.00 0.00 C ATOM 1394 O LEU A 89 -11.989 4.937 2.461 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.702 8.108 3.589 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.168 8.406 2.166 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -13.271 9.453 2.173 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -10.994 8.870 1.325 1.00 0.00 C ATOM 0 H LEU A 89 -9.293 7.762 4.108 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.625 6.252 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.552 8.213 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.969 8.860 3.880 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.572 7.493 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.590 9.652 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.118 9.085 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.897 10.373 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.334 9.081 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.569 9.774 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.234 8.089 1.298 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.402 6.250 1.542 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.367 5.510 0.301 1.00 0.00 C ATOM 1412 C LEU A 90 -10.004 4.078 0.651 1.00 0.00 C ATOM 1413 O LEU A 90 -10.610 3.116 0.159 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.351 6.127 -0.664 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.310 5.163 -1.231 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.908 5.590 -2.634 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.096 5.105 -0.328 1.00 0.00 C ATOM 0 H LEU A 90 -9.758 7.040 1.584 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.333 5.541 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.893 6.578 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.830 6.934 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.749 4.167 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.166 4.895 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.786 5.588 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.484 6.594 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.364 4.414 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.654 6.098 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.395 4.761 0.662 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.055 3.950 1.579 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.661 2.645 2.068 1.00 0.00 C ATOM 1431 C ILE A 91 -9.899 1.989 2.651 1.00 0.00 C ATOM 1432 O ILE A 91 -10.187 0.820 2.389 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.607 2.728 3.188 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.176 2.637 2.646 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.859 1.611 4.182 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.074 2.071 1.250 1.00 0.00 C ATOM 0 H ILE A 91 -8.553 4.732 1.999 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.229 2.085 1.239 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.702 3.699 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.733 3.633 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.583 2.019 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.118 1.660 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.857 1.720 4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.783 0.649 3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.028 2.042 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.484 1.061 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.636 2.701 0.560 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.650 2.777 3.425 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.882 2.299 4.024 1.00 0.00 C ATOM 1450 C GLN A 92 -12.837 1.904 2.917 1.00 0.00 C ATOM 1451 O GLN A 92 -13.505 0.873 2.988 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.510 3.378 4.909 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.775 3.985 4.326 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.155 5.292 4.992 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -13.304 5.999 5.531 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -15.442 5.622 4.957 1.00 0.00 N ATOM 0 H GLN A 92 -10.420 3.746 3.647 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.668 1.436 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.740 2.948 5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.780 4.170 5.074 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.634 4.153 3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.596 3.276 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.114 5.006 4.499 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.758 6.491 5.388 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.865 2.723 1.876 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.705 2.454 0.722 1.00 0.00 C ATOM 1467 C TYR A 93 -13.290 1.132 0.104 1.00 0.00 C ATOM 1468 O TYR A 93 -14.124 0.284 -0.206 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.595 3.581 -0.306 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.796 3.684 -1.219 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -15.891 4.465 -0.871 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -14.836 3.000 -2.427 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -16.991 4.561 -1.703 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -15.933 3.092 -3.264 1.00 0.00 C ATOM 1475 CZ TYR A 93 -17.007 3.874 -2.896 1.00 0.00 C ATOM 1476 OH TYR A 93 -18.100 3.967 -3.727 1.00 0.00 O ATOM 0 H TYR A 93 -12.315 3.579 1.808 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.745 2.397 1.043 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.464 4.528 0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.701 3.425 -0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.883 5.006 0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.996 2.386 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.834 5.173 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.948 2.554 -4.201 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.950 3.422 -4.528 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.983 0.958 -0.047 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.440 -0.278 -0.601 1.00 0.00 C ATOM 1488 C HIS A 94 -11.343 -1.342 0.486 1.00 0.00 C ATOM 1489 O HIS A 94 -10.423 -2.153 0.495 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.065 -0.033 -1.230 1.00 0.00 C ATOM 1491 CG HIS A 94 -10.052 1.153 -2.130 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.713 2.414 -1.697 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -10.379 1.276 -3.439 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -9.839 3.266 -2.703 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -10.238 2.599 -3.770 1.00 0.00 N ATOM 0 H HIS A 94 -11.281 1.654 0.205 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.114 -0.631 -1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.327 0.107 -0.440 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.765 -0.916 -1.794 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -9.413 2.654 -0.752 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.692 0.480 -4.099 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.648 4.328 -2.658 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.305 -1.324 1.405 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.331 -2.285 2.501 1.00 0.00 C ATOM 1506 C GLN A 95 -13.752 -2.491 3.013 1.00 0.00 C ATOM 1507 O GLN A 95 -14.131 -3.594 3.402 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.428 -1.815 3.644 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.179 -1.117 4.767 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.249 -0.443 5.758 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -10.176 0.153 5.253 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -11.495 -0.459 6.964 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.075 -0.655 1.412 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.959 -3.237 2.122 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.897 -2.675 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.675 -1.136 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.852 -0.373 4.342 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.799 -1.844 5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.332 -0.930 7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.862 -0.002 7.620 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.531 -1.418 3.009 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.909 -1.472 3.471 1.00 0.00 C ATOM 1523 C TYR A 96 -16.881 -1.356 2.303 1.00 0.00 C ATOM 1524 O TYR A 96 -18.020 -1.819 2.379 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.174 -0.359 4.485 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.503 0.337 4.290 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.692 -0.278 4.661 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -17.567 1.608 3.732 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -19.908 0.353 4.483 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -18.780 2.246 3.552 1.00 0.00 C ATOM 1531 CZ TYR A 96 -19.947 1.616 3.928 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.155 2.248 3.750 1.00 0.00 O ATOM 0 H TYR A 96 -14.230 -0.497 2.690 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.065 -2.437 3.954 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.138 -0.779 5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.374 0.379 4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.665 -1.266 5.096 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.655 2.105 3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.823 -0.139 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.813 3.235 3.118 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.007 3.130 3.349 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.423 -0.736 1.222 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.246 -0.556 0.036 1.00 0.00 C ATOM 1544 C ASN A 97 -17.030 -1.695 -0.956 1.00 0.00 C ATOM 1545 O ASN A 97 -16.434 -2.718 -0.621 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.934 0.785 -0.629 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.812 1.907 -0.111 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -17.423 2.487 1.020 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -18.827 2.249 -0.717 1.00 0.00 N flip ATOM 0 H ASN A 97 -15.483 -0.349 1.144 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.291 -0.564 0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.888 1.038 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.067 0.692 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.088 1.776 -1.582 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.407 3.006 -0.354 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.518 -1.508 -2.178 1.00 0.00 N ATOM 1557 CA GLY A 98 -17.368 -2.527 -3.200 1.00 0.00 C ATOM 1558 C GLY A 98 -15.915 -2.808 -3.529 1.00 0.00 C ATOM 1559 O GLY A 98 -15.439 -3.931 -3.360 1.00 0.00 O ATOM 0 H GLY A 98 -18.014 -0.669 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.846 -3.447 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.887 -2.210 -4.104 1.00 0.00 H new ATOM 1563 N GLY A 99 -15.207 -1.785 -3.997 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.806 -1.948 -4.342 1.00 0.00 C ATOM 1565 C GLY A 99 -13.584 -3.028 -5.382 1.00 0.00 C ATOM 1566 O GLY A 99 -14.491 -3.806 -5.682 1.00 0.00 O ATOM 0 H GLY A 99 -15.578 -0.846 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.415 -1.002 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.240 -2.193 -3.443 1.00 0.00 H new ATOM 1570 N GLY A 100 -12.375 -3.077 -5.931 1.00 0.00 N ATOM 1571 CA GLY A 100 -12.056 -4.074 -6.937 1.00 0.00 C ATOM 1572 C GLY A 100 -10.755 -4.797 -6.642 1.00 0.00 C ATOM 1573 O GLY A 100 -10.682 -6.022 -6.738 1.00 0.00 O ATOM 0 H GLY A 100 -11.610 -2.444 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.867 -4.800 -6.995 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.988 -3.593 -7.913 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.729 -4.035 -6.283 1.00 0.00 N ATOM 1578 CA LEU A 101 -8.422 -4.603 -5.972 1.00 0.00 C ATOM 1579 C LEU A 101 -8.561 -5.894 -5.170 1.00 0.00 C ATOM 1580 O LEU A 101 -9.670 -6.316 -4.843 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.581 -3.599 -5.182 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.290 -2.288 -4.832 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.754 -1.727 -3.524 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -8.125 -1.278 -5.956 1.00 0.00 C ATOM 0 H LEU A 101 -9.777 -3.020 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.925 -4.830 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.251 -4.073 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.685 -3.367 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 101 -9.354 -2.492 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.269 -0.795 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.924 -2.446 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.685 -1.537 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.635 -0.352 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.065 -1.077 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.556 -1.680 -6.873 1.00 0.00 H new ATOM 1596 N VAL A 102 -7.427 -6.510 -4.850 1.00 0.00 N ATOM 1597 CA VAL A 102 -7.422 -7.745 -4.078 1.00 0.00 C ATOM 1598 C VAL A 102 -8.419 -7.651 -2.930 1.00 0.00 C ATOM 1599 O VAL A 102 -8.154 -7.003 -1.918 1.00 0.00 O ATOM 1600 CB VAL A 102 -6.018 -8.055 -3.513 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.907 -7.619 -2.058 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -5.704 -9.537 -3.658 1.00 0.00 C ATOM 0 H VAL A 102 -6.501 -6.173 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.708 -8.554 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 102 -5.286 -7.489 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.909 -7.849 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.084 -6.546 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.649 -8.150 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.712 -9.740 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.444 -10.121 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.731 -9.813 -4.712 1.00 0.00 H new ATOM 1612 N THR A 103 -9.576 -8.279 -3.101 1.00 0.00 N ATOM 1613 CA THR A 103 -10.610 -8.233 -2.078 1.00 0.00 C ATOM 1614 C THR A 103 -10.561 -6.891 -1.364 1.00 0.00 C ATOM 1615 O THR A 103 -10.909 -6.779 -0.189 1.00 0.00 O ATOM 1616 CB THR A 103 -10.430 -9.375 -1.076 1.00 0.00 C ATOM 1617 OG1 THR A 103 -11.667 -9.714 -0.475 1.00 0.00 O ATOM 1618 CG2 THR A 103 -9.455 -9.050 0.035 1.00 0.00 C ATOM 0 H THR A 103 -9.819 -8.821 -3.930 1.00 0.00 H new ATOM 0 HA THR A 103 -11.583 -8.351 -2.555 1.00 0.00 H new ATOM 0 HB THR A 103 -10.030 -10.207 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.532 -10.447 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.375 -9.902 0.710 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.476 -8.832 -0.392 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.811 -8.181 0.589 1.00 0.00 H new ATOM 1626 N ARG A 104 -10.117 -5.878 -2.099 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.000 -4.525 -1.572 1.00 0.00 C ATOM 1628 C ARG A 104 -9.376 -4.530 -0.181 1.00 0.00 C ATOM 1629 O ARG A 104 -9.362 -5.552 0.502 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.371 -3.849 -1.524 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.534 -4.826 -1.579 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.829 -4.179 -1.117 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.081 -4.411 0.303 1.00 0.00 N ATOM 1634 CZ ARG A 104 -15.267 -4.751 0.798 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -16.308 -4.898 -0.011 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.412 -4.945 2.101 1.00 0.00 N ATOM 0 H ARG A 104 -9.829 -5.971 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.348 -3.962 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.445 -3.261 -0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.453 -3.153 -2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.653 -5.194 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.314 -5.690 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.786 -3.107 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.660 -4.573 -1.702 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.302 -4.306 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -16.199 -4.750 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -17.217 -5.159 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -14.613 -4.833 2.725 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.323 -5.206 2.480 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.869 -3.375 0.236 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.257 -3.251 1.553 1.00 0.00 C ATOM 1652 C LEU A 105 -9.043 -4.067 2.569 1.00 0.00 C ATOM 1653 O LEU A 105 -10.252 -3.899 2.711 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.205 -1.784 1.982 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.018 -0.995 1.434 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.232 -0.349 2.564 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.118 -1.896 0.601 1.00 0.00 C ATOM 0 H LEU A 105 -8.870 -2.517 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.237 -3.633 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.126 -1.295 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.180 -1.740 3.071 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.402 -0.203 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.391 0.208 2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.881 0.331 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.860 -1.122 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.277 -1.317 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.745 -2.711 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.686 -2.306 -0.234 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.356 -4.966 3.256 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.999 -5.820 4.236 1.00 0.00 C ATOM 1671 C ARG A 106 -8.358 -5.684 5.610 1.00 0.00 C ATOM 1672 O ARG A 106 -9.034 -5.391 6.597 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.929 -7.274 3.770 1.00 0.00 C ATOM 1674 CG ARG A 106 -8.792 -8.272 4.908 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.138 -8.583 5.541 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.293 -10.006 5.826 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.464 -10.634 5.818 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.576 -9.967 5.540 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -11.525 -11.932 6.088 1.00 0.00 N ATOM 0 H ARG A 106 -7.353 -5.121 3.151 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.040 -5.508 4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.828 -7.508 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.083 -7.389 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.343 -9.192 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.117 -7.872 5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.244 -8.015 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.936 -8.258 4.874 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.457 -10.548 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.534 -8.969 5.332 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.474 -10.452 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.672 -12.449 6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.425 -12.413 6.081 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.054 -5.919 5.671 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.319 -5.845 6.927 1.00 0.00 C ATOM 1695 C TYR A 107 -5.106 -4.927 6.819 1.00 0.00 C ATOM 1696 O TYR A 107 -4.301 -5.042 5.893 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.863 -7.244 7.343 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.286 -7.304 8.739 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -6.110 -7.234 9.855 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.917 -7.429 8.940 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.586 -7.290 11.133 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.386 -7.485 10.216 1.00 0.00 C ATOM 1703 CZ TYR A 107 -4.224 -7.414 11.308 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.699 -7.469 12.578 1.00 0.00 O ATOM 0 H TYR A 107 -6.482 -6.163 4.863 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.990 -5.431 7.679 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.710 -7.927 7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.115 -7.598 6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.177 -7.134 9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.257 -7.483 8.087 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.240 -7.237 11.990 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.320 -7.584 10.356 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.724 -7.558 12.526 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.954 -4.008 7.780 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.843 -3.076 7.825 1.00 0.00 C ATOM 1716 C PRO A 108 -2.675 -3.644 8.625 1.00 0.00 C ATOM 1717 O PRO A 108 -2.723 -3.707 9.853 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.444 -1.857 8.532 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.719 -2.320 9.178 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.851 -3.801 8.915 1.00 0.00 C ATOM 0 HA PRO A 108 -3.438 -2.850 6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.753 -1.462 9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.639 -1.054 7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.700 -2.121 10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.573 -1.781 8.769 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.553 -4.394 9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.877 -4.080 8.676 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.638 -4.083 7.921 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.472 -4.672 8.565 1.00 0.00 C ATOM 1730 C VAL A 109 0.566 -3.625 8.959 1.00 0.00 C ATOM 1731 O VAL A 109 1.593 -3.959 9.551 1.00 0.00 O ATOM 1732 CB VAL A 109 0.195 -5.718 7.654 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.474 -6.245 8.286 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.770 -6.854 7.353 1.00 0.00 C ATOM 0 H VAL A 109 -1.582 -4.042 6.903 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.838 -5.152 9.472 1.00 0.00 H new ATOM 0 HB VAL A 109 0.459 -5.236 6.712 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.929 -6.983 7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.169 -5.420 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.242 -6.710 9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.282 -7.585 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.068 -7.335 8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.653 -6.458 6.850 1.00 0.00 H new ATOM 1744 N CYS A 110 0.302 -2.363 8.632 1.00 0.00 N ATOM 1745 CA CYS A 110 1.231 -1.282 8.957 1.00 0.00 C ATOM 1746 C CYS A 110 2.529 -1.833 9.538 1.00 0.00 C ATOM 1747 O CYS A 110 2.819 -1.649 10.720 1.00 0.00 O ATOM 1748 CB CYS A 110 0.596 -0.310 9.950 1.00 0.00 C ATOM 1749 SG CYS A 110 -0.480 -1.099 11.171 1.00 0.00 S ATOM 0 H CYS A 110 -0.543 -2.063 8.145 1.00 0.00 H new ATOM 0 HA CYS A 110 1.460 -0.751 8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.387 0.227 10.472 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.018 0.431 9.398 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.187 -2.363 11.255 1.00 0.00 H new ATOM 1755 N GLY A 111 3.309 -2.511 8.701 1.00 0.00 N ATOM 1756 CA GLY A 111 4.566 -3.078 9.154 1.00 0.00 C ATOM 1757 C GLY A 111 4.369 -4.184 10.171 1.00 0.00 C ATOM 1758 O GLY A 111 3.683 -5.176 9.846 1.00 0.00 O ATOM 0 H GLY A 111 3.093 -2.678 7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.114 -3.470 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.179 -2.291 9.592 1.00 0.00 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 3.051 1.514 -14.186 1.00 0.00 C HETATM 1764 O ACE B 118 3.737 0.773 -13.483 1.00 0.00 O HETATM 1765 CH3 ACE B 118 1.635 1.142 -14.550 1.00 0.00 C HETATM 0 H1 ACE B 118 0.951 1.905 -14.177 1.00 0.00 H new HETATM 0 H2 ACE B 118 1.544 1.072 -15.634 1.00 0.00 H new HETATM 0 H3 ACE B 118 1.385 0.180 -14.102 1.00 0.00 H new ATOM 1769 N ALA B 119 3.495 2.670 -14.671 1.00 0.00 N ATOM 1770 CA ALA B 119 4.846 3.143 -14.397 1.00 0.00 C ATOM 1771 C ALA B 119 4.879 4.008 -13.141 1.00 0.00 C ATOM 1772 O ALA B 119 5.862 4.009 -12.400 1.00 0.00 O ATOM 1773 CB ALA B 119 5.385 3.920 -15.589 1.00 0.00 C ATOM 0 H ALA B 119 2.939 3.295 -15.255 1.00 0.00 H new ATOM 0 HA ALA B 119 5.482 2.274 -14.226 1.00 0.00 H new ATOM 0 HB1 ALA B 119 6.395 4.267 -15.370 1.00 0.00 H new ATOM 0 HB2 ALA B 119 5.406 3.273 -16.466 1.00 0.00 H new ATOM 0 HB3 ALA B 119 4.741 4.777 -15.786 1.00 0.00 H new ATOM 1779 N ASP B 120 3.798 4.745 -12.908 1.00 0.00 N ATOM 1780 CA ASP B 120 3.704 5.614 -11.741 1.00 0.00 C ATOM 1781 C ASP B 120 3.312 4.819 -10.499 1.00 0.00 C ATOM 1782 O ASP B 120 3.709 5.157 -9.384 1.00 0.00 O ATOM 1783 CB ASP B 120 2.683 6.727 -11.990 1.00 0.00 C ATOM 1784 CG ASP B 120 1.433 6.221 -12.684 1.00 0.00 C ATOM 1785 OD1 ASP B 120 1.246 4.988 -12.744 1.00 0.00 O ATOM 1786 OD2 ASP B 120 0.643 7.058 -13.167 1.00 0.00 O ATOM 0 H ASP B 120 2.976 4.758 -13.511 1.00 0.00 H new ATOM 0 HA ASP B 120 4.684 6.059 -11.571 1.00 0.00 H new ATOM 0 HB2 ASP B 120 2.408 7.183 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP B 120 3.141 7.508 -12.597 1.00 0.00 H new HETATM 1791 N PTR B 121 2.534 3.763 -10.701 1.00 0.00 N HETATM 1792 CA PTR B 121 2.090 2.918 -9.598 1.00 0.00 C HETATM 1793 C PTR B 121 0.877 2.088 -10.004 1.00 0.00 C HETATM 1794 O PTR B 121 -0.238 2.339 -9.546 1.00 0.00 O HETATM 1795 CB PTR B 121 1.746 3.774 -8.378 1.00 0.00 C HETATM 1796 CG PTR B 121 2.544 3.417 -7.146 1.00 0.00 C HETATM 1797 CD1 PTR B 121 2.138 2.390 -6.303 1.00 0.00 C HETATM 1798 CD2 PTR B 121 3.707 4.107 -6.827 1.00 0.00 C HETATM 1799 CE1 PTR B 121 2.868 2.062 -5.176 1.00 0.00 C HETATM 1800 CE2 PTR B 121 4.441 3.786 -5.702 1.00 0.00 C HETATM 1801 CZ PTR B 121 4.019 2.762 -4.880 1.00 0.00 C HETATM 1802 OH PTR B 121 4.747 2.436 -3.760 1.00 0.00 O HETATM 1803 P PTR B 121 3.904 1.412 -2.848 1.00 0.00 P HETATM 1804 O1P PTR B 121 3.976 -0.104 -3.384 1.00 0.00 O HETATM 1805 O2P PTR B 121 2.522 1.940 -2.801 1.00 0.00 O HETATM 1806 O3P PTR B 121 4.617 1.411 -1.403 1.00 0.00 O HETATM 0 HE2 PTR B 121 5.350 4.339 -5.465 1.00 0.00 H new HETATM 0 HE1 PTR B 121 2.536 1.254 -4.524 1.00 0.00 H new HETATM 0 HD2 PTR B 121 4.046 4.915 -7.475 1.00 0.00 H new HETATM 0 HD1 PTR B 121 1.229 1.834 -6.534 1.00 0.00 H new HETATM 0 HB3 PTR B 121 1.917 4.823 -8.620 1.00 0.00 H new HETATM 0 HB2 PTR B 121 0.684 3.667 -8.157 1.00 0.00 H new HETATM 0 HA PTR B 121 2.905 2.241 -9.342 1.00 0.00 H new HETATM 0 H PTR B 121 2.040 3.739 -11.593 1.00 0.00 H new ATOM 1815 N GLU B 122 1.101 1.101 -10.865 1.00 0.00 N ATOM 1816 CA GLU B 122 0.022 0.237 -11.329 1.00 0.00 C ATOM 1817 C GLU B 122 -1.334 0.867 -11.035 1.00 0.00 C ATOM 1818 O GLU B 122 -1.903 0.672 -9.961 1.00 0.00 O ATOM 1819 CB GLU B 122 0.116 -1.138 -10.660 1.00 0.00 C ATOM 1820 CG GLU B 122 0.387 -1.070 -9.167 1.00 0.00 C ATOM 1821 CD GLU B 122 1.857 -0.897 -8.847 1.00 0.00 C ATOM 1822 OE1 GLU B 122 2.453 0.097 -9.311 1.00 0.00 O ATOM 1823 OE2 GLU B 122 2.416 -1.756 -8.133 1.00 0.00 O ATOM 0 H GLU B 122 2.017 0.880 -11.255 1.00 0.00 H new ATOM 0 HA GLU B 122 0.123 0.114 -12.407 1.00 0.00 H new ATOM 0 HB2 GLU B 122 -0.815 -1.679 -10.828 1.00 0.00 H new ATOM 0 HB3 GLU B 122 0.909 -1.713 -11.139 1.00 0.00 H new ATOM 0 HG2 GLU B 122 -0.174 -0.240 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU B 122 0.021 -1.981 -8.694 1.00 0.00 H new ATOM 1830 N PRO B 123 -1.870 1.636 -11.993 1.00 0.00 N ATOM 1831 CA PRO B 123 -3.164 2.304 -11.846 1.00 0.00 C ATOM 1832 C PRO B 123 -4.268 1.335 -11.442 1.00 0.00 C ATOM 1833 O PRO B 123 -4.690 0.491 -12.233 1.00 0.00 O ATOM 1834 CB PRO B 123 -3.442 2.886 -13.241 1.00 0.00 C ATOM 1835 CG PRO B 123 -2.446 2.248 -14.151 1.00 0.00 C ATOM 1836 CD PRO B 123 -1.257 1.915 -13.297 1.00 0.00 C ATOM 0 HA PRO B 123 -3.141 3.059 -11.060 1.00 0.00 H new ATOM 0 HB2 PRO B 123 -4.461 2.667 -13.561 1.00 0.00 H new ATOM 0 HB3 PRO B 123 -3.334 3.971 -13.241 1.00 0.00 H new ATOM 0 HG2 PRO B 123 -2.858 1.351 -14.612 1.00 0.00 H new ATOM 0 HG3 PRO B 123 -2.168 2.924 -14.960 1.00 0.00 H new ATOM 0 HD2 PRO B 123 -0.710 1.054 -13.681 1.00 0.00 H new ATOM 0 HD3 PRO B 123 -0.551 2.743 -13.244 1.00 0.00 H new ATOM 1844 N PRO B 124 -4.753 1.450 -10.197 1.00 0.00 N ATOM 1845 CA PRO B 124 -5.812 0.592 -9.678 1.00 0.00 C ATOM 1846 C PRO B 124 -6.850 0.240 -10.739 1.00 0.00 C ATOM 1847 O PRO B 124 -7.294 -0.904 -10.836 1.00 0.00 O ATOM 1848 CB PRO B 124 -6.430 1.457 -8.586 1.00 0.00 C ATOM 1849 CG PRO B 124 -5.302 2.287 -8.067 1.00 0.00 C ATOM 1850 CD PRO B 124 -4.307 2.433 -9.195 1.00 0.00 C ATOM 0 HA PRO B 124 -5.438 -0.371 -9.330 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -7.230 2.082 -8.983 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.866 0.845 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.660 3.263 -7.740 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -4.839 1.811 -7.203 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -4.310 3.445 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -3.291 2.227 -8.859 1.00 0.00 H new HETATM 1858 N NH2 B 125 -7.243 1.220 -11.544 1.00 0.00 N TER 1859 NH2 B 125