USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0227 USER MOD Single : A 6 HIS : no HD1:sc= -7.02! C(o=-7!,f=-7.2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0604 USER MOD Single : A 17 THR OG1 : rot -173:sc= -1.41! USER MOD Single : A 20 GLN : amide:sc= -0.231 K(o=-0.23,f=-4.5!) USER MOD Single : A 23 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.0016) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.35 K(o=-1.4,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.44 K(o=-1.4,f=-3!) USER MOD Single : A 44 SER OG : rot -150:sc= -0.864 USER MOD Single : A 45 TYR OH : rot 11:sc= -10.1! USER MOD Single : A 48 SER OG : rot 4:sc= 0.0217 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -4.04! C(o=-4!,f=-4.4!) USER MOD Single : A 58 CYS SG : rot -63:sc= -5.27! USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.47) USER MOD Single : A 65 GLN : amide:sc= -0.611 K(o=-0.61,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.5! C(o=-2.5!,f=-11!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 76 SER OG : rot 180:sc= -0.393 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -38:sc= -1.82 USER MOD Single : A 84 TYR OH : rot 180:sc= -1.37! USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0176) USER MOD Single : A 87 HIS : no HD1:sc= -6.92! C(o=-6.9!,f=-9.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -159:sc= -0.113 (180deg=-0.625) USER MOD Single : A 93 MET CE :methyl 155:sc= -0.0137 (180deg=-0.997) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc=-0.00196 (180deg=-0.193) USER MOD Single : A 97 TYR OH : rot 30:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.98 K(o=-0.98,f=-3.6!) USER MOD Single : A 103 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.1!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 43:sc= 0.452 USER MOD Single : B 1 ASP N :NH3+ -149:sc= 0.216 (180deg=-0.78) USER MOD Single : B 2 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.3!) USER MOD Single : B 12 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0867) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.985 22.935 3.199 1.00 0.00 N ATOM 2 CA GLY A 1 -17.523 23.113 3.428 1.00 0.00 C ATOM 3 C GLY A 1 -16.748 22.075 2.615 1.00 0.00 C ATOM 4 O GLY A 1 -16.959 20.886 2.747 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.512 23.641 3.752 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.196 23.060 2.188 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.269 21.980 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.219 24.119 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.295 23.004 4.488 1.00 0.00 H new ATOM 10 N SER A 2 -15.851 22.514 1.774 1.00 0.00 N ATOM 11 CA SER A 2 -15.065 21.549 0.955 1.00 0.00 C ATOM 12 C SER A 2 -14.034 20.846 1.842 1.00 0.00 C ATOM 13 O SER A 2 -13.963 19.633 1.867 1.00 0.00 O ATOM 14 CB SER A 2 -14.347 22.299 -0.168 1.00 0.00 C ATOM 15 OG SER A 2 -14.848 23.627 -0.239 1.00 0.00 O ATOM 0 H SER A 2 -15.629 23.497 1.619 1.00 0.00 H new ATOM 0 HA SER A 2 -15.737 20.807 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.273 22.312 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.501 21.788 -1.119 1.00 0.00 H new ATOM 0 HG SER A 2 -14.389 24.112 -0.957 1.00 0.00 H new ATOM 21 N PRO A 3 -13.268 21.637 2.544 1.00 0.00 N ATOM 22 CA PRO A 3 -12.202 21.178 3.472 1.00 0.00 C ATOM 23 C PRO A 3 -12.818 20.731 4.801 1.00 0.00 C ATOM 24 O PRO A 3 -13.298 21.535 5.574 1.00 0.00 O ATOM 25 CB PRO A 3 -11.297 22.388 3.685 1.00 0.00 C ATOM 26 CG PRO A 3 -12.151 23.620 3.370 1.00 0.00 C ATOM 27 CD PRO A 3 -13.336 23.125 2.530 1.00 0.00 C ATOM 0 HA PRO A 3 -11.650 20.328 3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.927 22.422 4.710 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.425 22.342 3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.498 24.097 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.572 24.364 2.823 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.281 23.475 2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.276 23.507 1.511 1.00 0.00 H new ATOM 35 N GLY A 4 -12.807 19.454 5.073 1.00 0.00 N ATOM 36 CA GLY A 4 -13.392 18.962 6.352 1.00 0.00 C ATOM 37 C GLY A 4 -13.252 17.440 6.434 1.00 0.00 C ATOM 38 O GLY A 4 -12.315 16.924 7.010 1.00 0.00 O ATOM 0 H GLY A 4 -12.419 18.732 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.886 19.429 7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.443 19.244 6.414 1.00 0.00 H new ATOM 42 N ILE A 5 -14.178 16.719 5.865 1.00 0.00 N ATOM 43 CA ILE A 5 -14.100 15.231 5.913 1.00 0.00 C ATOM 44 C ILE A 5 -13.671 14.692 4.547 1.00 0.00 C ATOM 45 O ILE A 5 -14.164 15.126 3.525 1.00 0.00 O ATOM 46 CB ILE A 5 -15.474 14.663 6.277 1.00 0.00 C ATOM 47 CG1 ILE A 5 -16.073 15.480 7.425 1.00 0.00 C ATOM 48 CG2 ILE A 5 -15.326 13.204 6.712 1.00 0.00 C ATOM 49 CD1 ILE A 5 -16.848 16.669 6.855 1.00 0.00 C ATOM 0 H ILE A 5 -14.986 17.095 5.369 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.369 14.931 6.664 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.131 14.717 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -16.735 14.854 8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.282 15.832 8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.305 12.800 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -14.898 12.622 5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.669 13.148 7.580 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -17.275 17.251 7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.173 17.299 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -17.649 16.306 6.211 1.00 0.00 H new ATOM 61 N HIS A 6 -12.755 13.750 4.537 1.00 0.00 N ATOM 62 CA HIS A 6 -12.262 13.151 3.256 1.00 0.00 C ATOM 63 C HIS A 6 -12.047 14.250 2.202 1.00 0.00 C ATOM 64 O HIS A 6 -11.913 15.413 2.527 1.00 0.00 O ATOM 65 CB HIS A 6 -13.270 12.104 2.750 1.00 0.00 C ATOM 66 CG HIS A 6 -14.662 12.670 2.764 1.00 0.00 C ATOM 67 ND1 HIS A 6 -15.137 13.492 1.752 1.00 0.00 N ATOM 68 CD2 HIS A 6 -15.696 12.539 3.657 1.00 0.00 C ATOM 69 CE1 HIS A 6 -16.405 13.821 2.061 1.00 0.00 C ATOM 70 NE2 HIS A 6 -16.795 13.267 3.212 1.00 0.00 N ATOM 0 H HIS A 6 -12.322 13.366 5.377 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.306 12.659 3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -13.006 11.794 1.739 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.226 11.214 3.378 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -15.662 11.959 4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.031 14.456 1.452 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -17.703 13.358 3.667 1.00 0.00 H new ATOM 78 N GLU A 7 -11.997 13.892 0.945 1.00 0.00 N ATOM 79 CA GLU A 7 -11.781 14.918 -0.115 1.00 0.00 C ATOM 80 C GLU A 7 -10.585 15.799 0.255 1.00 0.00 C ATOM 81 O GLU A 7 -10.472 16.925 -0.189 1.00 0.00 O ATOM 82 CB GLU A 7 -13.033 15.788 -0.244 1.00 0.00 C ATOM 83 CG GLU A 7 -13.056 16.450 -1.623 1.00 0.00 C ATOM 84 CD GLU A 7 -13.037 17.970 -1.462 1.00 0.00 C ATOM 85 OE1 GLU A 7 -12.671 18.428 -0.391 1.00 0.00 O ATOM 86 OE2 GLU A 7 -13.388 18.652 -2.410 1.00 0.00 O ATOM 0 H GLU A 7 -12.096 12.934 0.608 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.582 14.420 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.927 15.180 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.042 16.549 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.195 16.125 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.947 16.143 -2.170 1.00 0.00 H new ATOM 93 N SER A 8 -9.692 15.299 1.065 1.00 0.00 N ATOM 94 CA SER A 8 -8.509 16.115 1.460 1.00 0.00 C ATOM 95 C SER A 8 -7.233 15.289 1.282 1.00 0.00 C ATOM 96 O SER A 8 -7.054 14.261 1.904 1.00 0.00 O ATOM 97 CB SER A 8 -8.644 16.532 2.925 1.00 0.00 C ATOM 98 OG SER A 8 -8.305 17.907 3.053 1.00 0.00 O ATOM 0 H SER A 8 -9.730 14.363 1.469 1.00 0.00 H new ATOM 0 HA SER A 8 -8.456 17.004 0.831 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.664 16.363 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.990 15.924 3.550 1.00 0.00 H new ATOM 0 HG SER A 8 -8.392 18.179 3.990 1.00 0.00 H new ATOM 104 N LYS A 9 -6.343 15.733 0.437 1.00 0.00 N ATOM 105 CA LYS A 9 -5.077 14.978 0.220 1.00 0.00 C ATOM 106 C LYS A 9 -5.396 13.506 -0.053 1.00 0.00 C ATOM 107 O LYS A 9 -6.477 13.163 -0.487 1.00 0.00 O ATOM 108 CB LYS A 9 -4.198 15.080 1.468 1.00 0.00 C ATOM 109 CG LYS A 9 -4.407 16.442 2.133 1.00 0.00 C ATOM 110 CD LYS A 9 -3.275 16.702 3.129 1.00 0.00 C ATOM 111 CE LYS A 9 -3.750 17.691 4.195 1.00 0.00 C ATOM 112 NZ LYS A 9 -3.348 19.072 3.806 1.00 0.00 N ATOM 0 H LYS A 9 -6.438 16.587 -0.113 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.549 15.402 -0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.447 14.281 2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.150 14.953 1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.429 17.228 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.369 16.465 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.966 15.767 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.404 17.101 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.833 17.633 4.303 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.319 17.434 5.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.671 19.745 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.312 19.122 3.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.780 19.315 2.892 1.00 0.00 H new ATOM 126 N GLU A 10 -4.457 12.636 0.200 1.00 0.00 N ATOM 127 CA GLU A 10 -4.696 11.187 -0.040 1.00 0.00 C ATOM 128 C GLU A 10 -3.382 10.425 0.136 1.00 0.00 C ATOM 129 O GLU A 10 -2.400 10.965 0.604 1.00 0.00 O ATOM 130 CB GLU A 10 -5.221 10.984 -1.463 1.00 0.00 C ATOM 131 CG GLU A 10 -6.661 10.465 -1.407 1.00 0.00 C ATOM 132 CD GLU A 10 -7.545 11.295 -2.341 1.00 0.00 C ATOM 133 OE1 GLU A 10 -7.054 12.274 -2.880 1.00 0.00 O ATOM 134 OE2 GLU A 10 -8.701 10.938 -2.502 1.00 0.00 O ATOM 0 H GLU A 10 -3.533 12.868 0.563 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.433 10.814 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.183 11.924 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.588 10.276 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.691 9.415 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.039 10.522 -0.386 1.00 0.00 H new ATOM 141 N TRP A 11 -3.353 9.175 -0.237 1.00 0.00 N ATOM 142 CA TRP A 11 -2.097 8.385 -0.087 1.00 0.00 C ATOM 143 C TRP A 11 -1.960 7.407 -1.256 1.00 0.00 C ATOM 144 O TRP A 11 -1.463 6.310 -1.102 1.00 0.00 O ATOM 145 CB TRP A 11 -2.123 7.604 1.233 1.00 0.00 C ATOM 146 CG TRP A 11 -3.537 7.333 1.645 1.00 0.00 C ATOM 147 CD1 TRP A 11 -4.129 7.830 2.756 1.00 0.00 C ATOM 148 CD2 TRP A 11 -4.541 6.514 0.977 1.00 0.00 C ATOM 149 NE1 TRP A 11 -5.431 7.367 2.814 1.00 0.00 N ATOM 150 CE2 TRP A 11 -5.734 6.553 1.740 1.00 0.00 C ATOM 151 CE3 TRP A 11 -4.536 5.749 -0.203 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -6.877 5.858 1.347 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -5.686 5.047 -0.602 1.00 0.00 C ATOM 154 CH2 TRP A 11 -6.854 5.102 0.172 1.00 0.00 C ATOM 0 H TRP A 11 -4.142 8.667 -0.638 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.247 9.068 -0.083 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.583 6.664 1.119 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.612 8.172 2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.661 8.482 3.479 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.088 7.599 3.559 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.642 5.701 -0.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -7.774 5.904 1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.670 4.462 -1.510 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.735 4.561 -0.140 1.00 0.00 H new ATOM 165 N TYR A 12 -2.394 7.794 -2.425 1.00 0.00 N ATOM 166 CA TYR A 12 -2.283 6.880 -3.597 1.00 0.00 C ATOM 167 C TYR A 12 -1.742 7.652 -4.805 1.00 0.00 C ATOM 168 O TYR A 12 -2.194 8.738 -5.112 1.00 0.00 O ATOM 169 CB TYR A 12 -3.665 6.301 -3.927 1.00 0.00 C ATOM 170 CG TYR A 12 -4.496 7.333 -4.655 1.00 0.00 C ATOM 171 CD1 TYR A 12 -5.188 8.312 -3.934 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.573 7.307 -6.054 1.00 0.00 C ATOM 173 CE1 TYR A 12 -5.958 9.268 -4.610 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.342 8.262 -6.730 1.00 0.00 C ATOM 175 CZ TYR A 12 -6.034 9.242 -6.008 1.00 0.00 C ATOM 176 OH TYR A 12 -6.791 10.184 -6.675 1.00 0.00 O ATOM 0 H TYR A 12 -2.819 8.701 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.598 6.066 -3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.557 5.408 -4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.170 5.996 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.129 8.331 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.039 6.551 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.492 10.024 -4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.401 8.243 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.735 10.025 -7.640 1.00 0.00 H new ATOM 186 N HIS A 13 -0.783 7.098 -5.494 1.00 0.00 N ATOM 187 CA HIS A 13 -0.221 7.797 -6.684 1.00 0.00 C ATOM 188 C HIS A 13 -1.123 7.539 -7.890 1.00 0.00 C ATOM 189 O HIS A 13 -1.826 6.550 -7.950 1.00 0.00 O ATOM 190 CB HIS A 13 1.184 7.265 -6.976 1.00 0.00 C ATOM 191 CG HIS A 13 2.057 7.463 -5.768 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.289 8.713 -5.219 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.766 6.577 -4.994 1.00 0.00 C ATOM 194 CE1 HIS A 13 3.105 8.548 -4.163 1.00 0.00 C ATOM 195 NE2 HIS A 13 3.427 7.265 -3.981 1.00 0.00 N ATOM 0 H HIS A 13 -0.364 6.192 -5.285 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.167 8.868 -6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.137 6.207 -7.234 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.610 7.784 -7.835 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.910 9.598 -5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.805 5.509 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.457 9.355 -3.538 1.00 0.00 H new ATOM 203 N ALA A 14 -1.111 8.416 -8.854 1.00 0.00 N ATOM 204 CA ALA A 14 -1.971 8.213 -10.052 1.00 0.00 C ATOM 205 C ALA A 14 -1.344 7.150 -10.956 1.00 0.00 C ATOM 206 O ALA A 14 -0.708 6.226 -10.491 1.00 0.00 O ATOM 207 CB ALA A 14 -2.096 9.531 -10.819 1.00 0.00 C ATOM 0 H ALA A 14 -0.544 9.264 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.961 7.882 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.726 9.383 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.544 10.286 -10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.107 9.864 -11.134 1.00 0.00 H new ATOM 213 N SER A 15 -1.518 7.270 -12.244 1.00 0.00 N ATOM 214 CA SER A 15 -0.931 6.263 -13.170 1.00 0.00 C ATOM 215 C SER A 15 0.450 6.736 -13.631 1.00 0.00 C ATOM 216 O SER A 15 0.570 7.637 -14.437 1.00 0.00 O ATOM 217 CB SER A 15 -1.844 6.097 -14.386 1.00 0.00 C ATOM 218 OG SER A 15 -2.906 7.040 -14.307 1.00 0.00 O ATOM 0 H SER A 15 -2.041 8.021 -12.694 1.00 0.00 H new ATOM 0 HA SER A 15 -0.834 5.308 -12.654 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.277 6.247 -15.305 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.244 5.083 -14.420 1.00 0.00 H new ATOM 0 HG SER A 15 -3.493 6.938 -15.085 1.00 0.00 H new ATOM 224 N LEU A 16 1.493 6.133 -13.129 1.00 0.00 N ATOM 225 CA LEU A 16 2.862 6.550 -13.543 1.00 0.00 C ATOM 226 C LEU A 16 3.652 5.325 -14.007 1.00 0.00 C ATOM 227 O LEU A 16 3.226 4.199 -13.838 1.00 0.00 O ATOM 228 CB LEU A 16 3.594 7.230 -12.373 1.00 0.00 C ATOM 229 CG LEU A 16 3.364 6.472 -11.054 1.00 0.00 C ATOM 230 CD1 LEU A 16 1.923 6.667 -10.583 1.00 0.00 C ATOM 231 CD2 LEU A 16 3.643 4.979 -11.248 1.00 0.00 C ATOM 0 H LEU A 16 1.456 5.371 -12.452 1.00 0.00 H new ATOM 0 HA LEU A 16 2.780 7.263 -14.363 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.662 7.276 -12.587 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.245 8.257 -12.270 1.00 0.00 H new ATOM 0 HG LEU A 16 4.045 6.868 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.769 6.127 -9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.733 7.728 -10.424 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.238 6.285 -11.340 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.477 4.453 -10.308 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.974 4.580 -12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.677 4.840 -11.564 1.00 0.00 H new ATOM 243 N THR A 17 4.801 5.532 -14.588 1.00 0.00 N ATOM 244 CA THR A 17 5.616 4.377 -15.060 1.00 0.00 C ATOM 245 C THR A 17 5.786 3.375 -13.914 1.00 0.00 C ATOM 246 O THR A 17 6.194 3.727 -12.825 1.00 0.00 O ATOM 247 CB THR A 17 6.991 4.872 -15.517 1.00 0.00 C ATOM 248 OG1 THR A 17 7.169 6.220 -15.106 1.00 0.00 O ATOM 249 CG2 THR A 17 7.085 4.784 -17.041 1.00 0.00 C ATOM 0 H THR A 17 5.211 6.451 -14.756 1.00 0.00 H new ATOM 0 HA THR A 17 5.112 3.892 -15.896 1.00 0.00 H new ATOM 0 HB THR A 17 7.768 4.251 -15.071 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.999 6.572 -15.491 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.064 5.136 -17.366 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.949 3.749 -17.355 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.309 5.404 -17.490 1.00 0.00 H new ATOM 257 N ARG A 18 5.472 2.131 -14.150 1.00 0.00 N ATOM 258 CA ARG A 18 5.610 1.108 -13.073 1.00 0.00 C ATOM 259 C ARG A 18 7.089 0.916 -12.730 1.00 0.00 C ATOM 260 O ARG A 18 7.441 0.622 -11.604 1.00 0.00 O ATOM 261 CB ARG A 18 5.022 -0.220 -13.553 1.00 0.00 C ATOM 262 CG ARG A 18 5.618 -0.582 -14.915 1.00 0.00 C ATOM 263 CD ARG A 18 4.495 -0.726 -15.942 1.00 0.00 C ATOM 264 NE ARG A 18 4.846 0.035 -17.173 1.00 0.00 N ATOM 265 CZ ARG A 18 4.191 -0.176 -18.282 1.00 0.00 C ATOM 266 NH1 ARG A 18 2.887 -0.191 -18.275 1.00 0.00 N ATOM 267 NH2 ARG A 18 4.840 -0.371 -19.396 1.00 0.00 N ATOM 0 H ARG A 18 5.126 1.778 -15.042 1.00 0.00 H new ATOM 0 HA ARG A 18 5.075 1.445 -12.185 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.237 -1.007 -12.830 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.937 -0.143 -13.628 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.319 0.189 -15.233 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.180 -1.513 -14.842 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.341 -1.778 -16.183 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.558 -0.354 -15.527 1.00 0.00 H new ATOM 0 HE ARG A 18 5.599 0.722 -17.149 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.380 -0.038 -17.403 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.374 -0.356 -19.141 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.860 -0.359 -19.401 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.328 -0.536 -20.263 1.00 0.00 H new ATOM 281 N ALA A 19 7.958 1.078 -13.689 1.00 0.00 N ATOM 282 CA ALA A 19 9.412 0.901 -13.415 1.00 0.00 C ATOM 283 C ALA A 19 9.961 2.156 -12.733 1.00 0.00 C ATOM 284 O ALA A 19 10.923 2.101 -11.991 1.00 0.00 O ATOM 285 CB ALA A 19 10.155 0.670 -14.733 1.00 0.00 C ATOM 0 H ALA A 19 7.724 1.325 -14.651 1.00 0.00 H new ATOM 0 HA ALA A 19 9.556 0.041 -12.761 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.219 0.540 -14.533 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.765 -0.225 -15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.011 1.530 -15.387 1.00 0.00 H new ATOM 291 N GLN A 20 9.362 3.288 -12.981 1.00 0.00 N ATOM 292 CA GLN A 20 9.852 4.545 -12.348 1.00 0.00 C ATOM 293 C GLN A 20 9.476 4.554 -10.865 1.00 0.00 C ATOM 294 O GLN A 20 10.217 5.031 -10.030 1.00 0.00 O ATOM 295 CB GLN A 20 9.214 5.747 -13.046 1.00 0.00 C ATOM 296 CG GLN A 20 10.299 6.768 -13.399 1.00 0.00 C ATOM 297 CD GLN A 20 10.768 7.476 -12.126 1.00 0.00 C ATOM 298 OE1 GLN A 20 10.060 7.508 -11.139 1.00 0.00 O ATOM 299 NE2 GLN A 20 11.941 8.046 -12.107 1.00 0.00 N ATOM 0 H GLN A 20 8.554 3.397 -13.595 1.00 0.00 H new ATOM 0 HA GLN A 20 10.936 4.601 -12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.696 5.424 -13.949 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.467 6.204 -12.397 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.140 6.269 -13.881 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.910 7.496 -14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.535 8.019 -12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.265 8.519 -11.263 1.00 0.00 H new ATOM 308 N ALA A 21 8.328 4.031 -10.531 1.00 0.00 N ATOM 309 CA ALA A 21 7.909 4.010 -9.101 1.00 0.00 C ATOM 310 C ALA A 21 8.825 3.071 -8.316 1.00 0.00 C ATOM 311 O ALA A 21 9.062 3.259 -7.139 1.00 0.00 O ATOM 312 CB ALA A 21 6.465 3.516 -8.998 1.00 0.00 C ATOM 0 H ALA A 21 7.663 3.618 -11.185 1.00 0.00 H new ATOM 0 HA ALA A 21 7.978 5.016 -8.688 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.159 3.501 -7.952 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.811 4.185 -9.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.394 2.510 -9.411 1.00 0.00 H new ATOM 318 N GLU A 22 9.344 2.062 -8.960 1.00 0.00 N ATOM 319 CA GLU A 22 10.245 1.109 -8.253 1.00 0.00 C ATOM 320 C GLU A 22 11.571 1.807 -7.933 1.00 0.00 C ATOM 321 O GLU A 22 12.140 1.621 -6.877 1.00 0.00 O ATOM 322 CB GLU A 22 10.510 -0.101 -9.151 1.00 0.00 C ATOM 323 CG GLU A 22 10.019 -1.377 -8.459 1.00 0.00 C ATOM 324 CD GLU A 22 11.209 -2.291 -8.160 1.00 0.00 C ATOM 325 OE1 GLU A 22 12.270 -2.051 -8.713 1.00 0.00 O ATOM 326 OE2 GLU A 22 11.039 -3.217 -7.384 1.00 0.00 O ATOM 0 H GLU A 22 9.183 1.856 -9.946 1.00 0.00 H new ATOM 0 HA GLU A 22 9.774 0.779 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.001 0.025 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.576 -0.180 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.501 -1.124 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.301 -1.895 -9.096 1.00 0.00 H new ATOM 333 N HIS A 23 12.067 2.604 -8.840 1.00 0.00 N ATOM 334 CA HIS A 23 13.358 3.309 -8.592 1.00 0.00 C ATOM 335 C HIS A 23 13.188 4.333 -7.466 1.00 0.00 C ATOM 336 O HIS A 23 13.998 4.416 -6.564 1.00 0.00 O ATOM 337 CB HIS A 23 13.798 4.028 -9.869 1.00 0.00 C ATOM 338 CG HIS A 23 15.227 3.675 -10.175 1.00 0.00 C ATOM 339 ND1 HIS A 23 15.655 3.370 -11.458 1.00 0.00 N ATOM 340 CD2 HIS A 23 16.339 3.575 -9.375 1.00 0.00 C ATOM 341 CE1 HIS A 23 16.973 3.103 -11.393 1.00 0.00 C ATOM 342 NE2 HIS A 23 17.439 3.213 -10.146 1.00 0.00 N ATOM 0 H HIS A 23 11.634 2.798 -9.743 1.00 0.00 H new ATOM 0 HA HIS A 23 14.113 2.579 -8.301 1.00 0.00 H new ATOM 0 HB2 HIS A 23 13.155 3.741 -10.701 1.00 0.00 H new ATOM 0 HB3 HIS A 23 13.697 5.106 -9.745 1.00 0.00 H new ATOM 0 HD2 HIS A 23 16.357 3.751 -8.310 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.579 2.833 -12.245 1.00 0.00 H new ATOM 0 HE2 HIS A 23 18.396 3.064 -9.827 1.00 0.00 H new ATOM 350 N MET A 24 12.145 5.116 -7.511 1.00 0.00 N ATOM 351 CA MET A 24 11.932 6.135 -6.443 1.00 0.00 C ATOM 352 C MET A 24 11.869 5.442 -5.080 1.00 0.00 C ATOM 353 O MET A 24 12.536 5.832 -4.142 1.00 0.00 O ATOM 354 CB MET A 24 10.617 6.874 -6.695 1.00 0.00 C ATOM 355 CG MET A 24 10.566 7.345 -8.150 1.00 0.00 C ATOM 356 SD MET A 24 10.069 9.084 -8.202 1.00 0.00 S ATOM 357 CE MET A 24 8.280 8.809 -8.205 1.00 0.00 C ATOM 0 H MET A 24 11.432 5.095 -8.240 1.00 0.00 H new ATOM 0 HA MET A 24 12.758 6.846 -6.454 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.773 6.218 -6.484 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.533 7.728 -6.022 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.542 7.220 -8.619 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.861 6.737 -8.716 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.764 9.769 -8.235 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.004 8.221 -9.080 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.993 8.271 -7.301 1.00 0.00 H new ATOM 367 N LEU A 25 11.070 4.418 -4.963 1.00 0.00 N ATOM 368 CA LEU A 25 10.959 3.700 -3.664 1.00 0.00 C ATOM 369 C LEU A 25 12.288 3.003 -3.350 1.00 0.00 C ATOM 370 O LEU A 25 12.565 2.651 -2.221 1.00 0.00 O ATOM 371 CB LEU A 25 9.843 2.657 -3.755 1.00 0.00 C ATOM 372 CG LEU A 25 8.511 3.352 -4.041 1.00 0.00 C ATOM 373 CD1 LEU A 25 7.365 2.354 -3.868 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.322 4.514 -3.063 1.00 0.00 C ATOM 0 H LEU A 25 10.488 4.047 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 25 10.728 4.412 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.066 1.939 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.779 2.096 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 25 8.513 3.730 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.416 2.850 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.497 1.524 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.364 1.975 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.373 5.010 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.321 4.133 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.137 5.227 -3.184 1.00 0.00 H new ATOM 386 N MET A 26 13.108 2.791 -4.342 1.00 0.00 N ATOM 387 CA MET A 26 14.412 2.110 -4.105 1.00 0.00 C ATOM 388 C MET A 26 15.439 3.114 -3.572 1.00 0.00 C ATOM 389 O MET A 26 16.442 2.742 -2.997 1.00 0.00 O ATOM 390 CB MET A 26 14.922 1.514 -5.418 1.00 0.00 C ATOM 391 CG MET A 26 15.868 0.354 -5.115 1.00 0.00 C ATOM 392 SD MET A 26 17.206 0.333 -6.334 1.00 0.00 S ATOM 393 CE MET A 26 18.458 -0.437 -5.278 1.00 0.00 C ATOM 0 H MET A 26 12.931 3.061 -5.310 1.00 0.00 H new ATOM 0 HA MET A 26 14.271 1.317 -3.370 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.084 1.166 -6.022 1.00 0.00 H new ATOM 0 HB3 MET A 26 15.439 2.277 -6.000 1.00 0.00 H new ATOM 0 HG2 MET A 26 16.278 0.458 -4.111 1.00 0.00 H new ATOM 0 HG3 MET A 26 15.323 -0.590 -5.141 1.00 0.00 H new ATOM 0 HE1 MET A 26 19.387 -0.549 -5.837 1.00 0.00 H new ATOM 0 HE2 MET A 26 18.634 0.191 -4.405 1.00 0.00 H new ATOM 0 HE3 MET A 26 18.108 -1.417 -4.955 1.00 0.00 H new ATOM 403 N ARG A 27 15.201 4.382 -3.767 1.00 0.00 N ATOM 404 CA ARG A 27 16.170 5.408 -3.279 1.00 0.00 C ATOM 405 C ARG A 27 16.113 5.511 -1.751 1.00 0.00 C ATOM 406 O ARG A 27 16.816 6.300 -1.151 1.00 0.00 O ATOM 407 CB ARG A 27 15.816 6.765 -3.891 1.00 0.00 C ATOM 408 CG ARG A 27 16.317 6.820 -5.335 1.00 0.00 C ATOM 409 CD ARG A 27 16.998 8.166 -5.594 1.00 0.00 C ATOM 410 NE ARG A 27 17.464 8.222 -7.008 1.00 0.00 N ATOM 411 CZ ARG A 27 17.802 9.365 -7.540 1.00 0.00 C ATOM 412 NH1 ARG A 27 18.370 10.284 -6.808 1.00 0.00 N ATOM 413 NH2 ARG A 27 17.571 9.589 -8.805 1.00 0.00 N ATOM 0 H ARG A 27 14.379 4.753 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 27 17.177 5.115 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.737 6.918 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 27 16.267 7.568 -3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.018 6.006 -5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.484 6.684 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.303 8.982 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.842 8.295 -4.916 1.00 0.00 H new ATOM 0 HE ARG A 27 17.519 7.367 -7.561 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.550 10.109 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.634 11.177 -7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.127 8.871 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.835 10.482 -9.221 1.00 0.00 H new ATOM 427 N VAL A 28 15.283 4.730 -1.114 1.00 0.00 N ATOM 428 CA VAL A 28 15.190 4.800 0.372 1.00 0.00 C ATOM 429 C VAL A 28 15.914 3.599 0.995 1.00 0.00 C ATOM 430 O VAL A 28 15.534 2.467 0.772 1.00 0.00 O ATOM 431 CB VAL A 28 13.717 4.770 0.781 1.00 0.00 C ATOM 432 CG1 VAL A 28 13.079 3.476 0.274 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.609 4.828 2.306 1.00 0.00 C ATOM 0 H VAL A 28 14.667 4.048 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 28 15.655 5.721 0.723 1.00 0.00 H new ATOM 0 HB VAL A 28 13.200 5.627 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.028 3.451 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.157 3.433 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.596 2.621 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.559 4.807 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.124 3.971 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.067 5.748 2.668 1.00 0.00 H new ATOM 443 N PRO A 29 16.936 3.882 1.764 1.00 0.00 N ATOM 444 CA PRO A 29 17.770 2.870 2.468 1.00 0.00 C ATOM 445 C PRO A 29 17.061 2.405 3.744 1.00 0.00 C ATOM 446 O PRO A 29 16.067 2.971 4.152 1.00 0.00 O ATOM 447 CB PRO A 29 19.074 3.582 2.816 1.00 0.00 C ATOM 448 CG PRO A 29 18.747 5.079 2.841 1.00 0.00 C ATOM 449 CD PRO A 29 17.437 5.254 2.060 1.00 0.00 C ATOM 0 HA PRO A 29 17.946 1.988 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.454 3.250 3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.846 3.364 2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.638 5.435 3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 29 19.550 5.659 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.708 5.816 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 29 17.606 5.813 1.139 1.00 0.00 H new ATOM 457 N ARG A 30 17.566 1.378 4.378 1.00 0.00 N ATOM 458 CA ARG A 30 16.917 0.881 5.626 1.00 0.00 C ATOM 459 C ARG A 30 15.418 0.704 5.381 1.00 0.00 C ATOM 460 O ARG A 30 14.972 0.654 4.253 1.00 0.00 O ATOM 461 CB ARG A 30 17.137 1.891 6.753 1.00 0.00 C ATOM 462 CG ARG A 30 17.998 1.259 7.849 1.00 0.00 C ATOM 463 CD ARG A 30 19.395 1.881 7.826 1.00 0.00 C ATOM 464 NE ARG A 30 20.422 0.816 8.020 1.00 0.00 N ATOM 465 CZ ARG A 30 20.189 -0.179 8.832 1.00 0.00 C ATOM 466 NH1 ARG A 30 20.339 -0.022 10.119 1.00 0.00 N ATOM 467 NH2 ARG A 30 19.807 -1.334 8.356 1.00 0.00 N ATOM 0 H ARG A 30 18.397 0.864 4.086 1.00 0.00 H new ATOM 0 HA ARG A 30 17.355 -0.076 5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.625 2.785 6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.178 2.205 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.536 1.414 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.066 0.182 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.561 2.391 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 30 19.483 2.632 8.611 1.00 0.00 H new ATOM 0 HE ARG A 30 21.308 0.866 7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 30 20.639 0.879 10.491 1.00 0.00 H new ATOM 0 HH12 ARG A 30 20.157 -0.800 10.752 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.691 -1.458 7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.625 -2.112 8.990 1.00 0.00 H new ATOM 481 N ASP A 31 14.636 0.614 6.425 1.00 0.00 N ATOM 482 CA ASP A 31 13.164 0.445 6.240 1.00 0.00 C ATOM 483 C ASP A 31 12.663 1.484 5.236 1.00 0.00 C ATOM 484 O ASP A 31 13.122 2.610 5.217 1.00 0.00 O ATOM 485 CB ASP A 31 12.453 0.641 7.580 1.00 0.00 C ATOM 486 CG ASP A 31 11.064 0.005 7.518 1.00 0.00 C ATOM 487 OD1 ASP A 31 10.220 0.539 6.817 1.00 0.00 O ATOM 488 OD2 ASP A 31 10.866 -1.004 8.174 1.00 0.00 O ATOM 0 H ASP A 31 14.951 0.650 7.394 1.00 0.00 H new ATOM 0 HA ASP A 31 12.954 -0.557 5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.036 0.189 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.368 1.704 7.807 1.00 0.00 H new ATOM 493 N GLY A 32 11.733 1.121 4.396 1.00 0.00 N ATOM 494 CA GLY A 32 11.223 2.095 3.397 1.00 0.00 C ATOM 495 C GLY A 32 9.961 2.764 3.932 1.00 0.00 C ATOM 496 O GLY A 32 10.016 3.633 4.780 1.00 0.00 O ATOM 0 H GLY A 32 11.307 0.195 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.984 2.847 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.007 1.587 2.457 1.00 0.00 H new ATOM 500 N ALA A 33 8.821 2.368 3.442 1.00 0.00 N ATOM 501 CA ALA A 33 7.553 2.987 3.921 1.00 0.00 C ATOM 502 C ALA A 33 6.357 2.297 3.262 1.00 0.00 C ATOM 503 O ALA A 33 6.507 1.367 2.495 1.00 0.00 O ATOM 504 CB ALA A 33 7.548 4.473 3.557 1.00 0.00 C ATOM 0 H ALA A 33 8.711 1.644 2.732 1.00 0.00 H new ATOM 0 HA ALA A 33 7.481 2.872 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.622 4.930 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.397 4.966 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.622 4.583 2.475 1.00 0.00 H new ATOM 510 N PHE A 34 5.171 2.755 3.553 1.00 0.00 N ATOM 511 CA PHE A 34 3.960 2.138 2.942 1.00 0.00 C ATOM 512 C PHE A 34 3.208 3.202 2.140 1.00 0.00 C ATOM 513 O PHE A 34 3.034 4.319 2.584 1.00 0.00 O ATOM 514 CB PHE A 34 3.052 1.591 4.046 1.00 0.00 C ATOM 515 CG PHE A 34 2.634 2.719 4.959 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.524 3.510 4.632 1.00 0.00 C ATOM 517 CD2 PHE A 34 3.354 2.975 6.132 1.00 0.00 C ATOM 518 CE1 PHE A 34 1.137 4.555 5.478 1.00 0.00 C ATOM 519 CE2 PHE A 34 2.966 4.021 6.978 1.00 0.00 C ATOM 520 CZ PHE A 34 1.856 4.810 6.651 1.00 0.00 C ATOM 0 H PHE A 34 4.988 3.531 4.189 1.00 0.00 H new ATOM 0 HA PHE A 34 4.255 1.322 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.173 1.119 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.576 0.823 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.968 3.313 3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.209 2.365 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.283 5.165 5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.522 4.219 7.882 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.555 5.615 7.304 1.00 0.00 H new ATOM 530 N LEU A 35 2.763 2.868 0.958 1.00 0.00 N ATOM 531 CA LEU A 35 2.029 3.868 0.131 1.00 0.00 C ATOM 532 C LEU A 35 1.020 3.152 -0.770 1.00 0.00 C ATOM 533 O LEU A 35 0.955 1.939 -0.807 1.00 0.00 O ATOM 534 CB LEU A 35 3.023 4.636 -0.744 1.00 0.00 C ATOM 535 CG LEU A 35 3.974 5.443 0.142 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.115 5.999 -0.712 1.00 0.00 C ATOM 537 CD2 LEU A 35 3.209 6.600 0.785 1.00 0.00 C ATOM 0 H LEU A 35 2.876 1.949 0.531 1.00 0.00 H new ATOM 0 HA LEU A 35 1.504 4.560 0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.590 3.941 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.488 5.302 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 35 4.383 4.799 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.794 6.574 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.659 5.175 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.706 6.644 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.885 7.176 1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.802 7.245 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.394 6.205 1.391 1.00 0.00 H new ATOM 549 N VAL A 36 0.238 3.897 -1.503 1.00 0.00 N ATOM 550 CA VAL A 36 -0.761 3.269 -2.411 1.00 0.00 C ATOM 551 C VAL A 36 -0.490 3.732 -3.845 1.00 0.00 C ATOM 552 O VAL A 36 0.381 4.543 -4.085 1.00 0.00 O ATOM 553 CB VAL A 36 -2.170 3.689 -1.987 1.00 0.00 C ATOM 554 CG1 VAL A 36 -3.197 2.754 -2.628 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.288 3.602 -0.464 1.00 0.00 C ATOM 0 H VAL A 36 0.249 4.917 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.682 2.183 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.357 4.712 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.200 3.054 -2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.113 2.811 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.010 1.731 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.291 3.901 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.101 2.577 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.556 4.266 -0.004 1.00 0.00 H new ATOM 565 N ARG A 37 -1.221 3.225 -4.800 1.00 0.00 N ATOM 566 CA ARG A 37 -0.990 3.646 -6.211 1.00 0.00 C ATOM 567 C ARG A 37 -2.164 3.190 -7.077 1.00 0.00 C ATOM 568 O ARG A 37 -2.960 2.365 -6.676 1.00 0.00 O ATOM 569 CB ARG A 37 0.303 3.010 -6.727 1.00 0.00 C ATOM 570 CG ARG A 37 0.155 1.489 -6.743 1.00 0.00 C ATOM 571 CD ARG A 37 0.394 0.967 -8.162 1.00 0.00 C ATOM 572 NE ARG A 37 1.618 1.604 -8.725 1.00 0.00 N ATOM 573 CZ ARG A 37 2.181 1.107 -9.793 1.00 0.00 C ATOM 574 NH1 ARG A 37 1.800 1.506 -10.976 1.00 0.00 N ATOM 575 NH2 ARG A 37 3.123 0.213 -9.678 1.00 0.00 N ATOM 0 H ARG A 37 -1.965 2.540 -4.665 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.905 4.732 -6.258 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.524 3.375 -7.730 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.140 3.297 -6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.867 1.037 -6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.841 1.206 -6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.509 -0.117 -8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.467 1.188 -8.792 1.00 0.00 H new ATOM 0 HE ARG A 37 2.016 2.429 -8.276 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.063 2.206 -11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.239 1.118 -11.811 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.420 -0.098 -8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.563 -0.175 -10.513 1.00 0.00 H new ATOM 589 N LYS A 38 -2.277 3.718 -8.265 1.00 0.00 N ATOM 590 CA LYS A 38 -3.399 3.308 -9.153 1.00 0.00 C ATOM 591 C LYS A 38 -2.875 3.096 -10.576 1.00 0.00 C ATOM 592 O LYS A 38 -2.065 3.855 -11.070 1.00 0.00 O ATOM 593 CB LYS A 38 -4.469 4.401 -9.161 1.00 0.00 C ATOM 594 CG LYS A 38 -5.744 3.861 -9.811 1.00 0.00 C ATOM 595 CD LYS A 38 -6.959 4.283 -8.984 1.00 0.00 C ATOM 596 CE LYS A 38 -7.279 3.198 -7.954 1.00 0.00 C ATOM 597 NZ LYS A 38 -8.733 2.876 -8.008 1.00 0.00 N ATOM 0 H LYS A 38 -1.642 4.414 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.832 2.378 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.678 4.728 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.110 5.273 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.834 4.241 -10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.697 2.774 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.759 5.229 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.817 4.444 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.690 2.304 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.008 3.539 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.951 2.138 -7.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.286 3.731 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.978 2.534 -8.959 1.00 0.00 H new ATOM 611 N ARG A 39 -3.338 2.073 -11.238 1.00 0.00 N ATOM 612 CA ARG A 39 -2.878 1.812 -12.632 1.00 0.00 C ATOM 613 C ARG A 39 -3.532 2.828 -13.570 1.00 0.00 C ATOM 614 O ARG A 39 -3.725 3.975 -13.217 1.00 0.00 O ATOM 615 CB ARG A 39 -3.291 0.396 -13.040 1.00 0.00 C ATOM 616 CG ARG A 39 -2.254 -0.184 -14.004 1.00 0.00 C ATOM 617 CD ARG A 39 -1.079 -0.756 -13.207 1.00 0.00 C ATOM 618 NE ARG A 39 -0.354 -1.767 -14.032 1.00 0.00 N ATOM 619 CZ ARG A 39 -1.015 -2.557 -14.833 1.00 0.00 C ATOM 620 NH1 ARG A 39 -1.343 -2.149 -16.030 1.00 0.00 N ATOM 621 NH2 ARG A 39 -1.350 -3.755 -14.439 1.00 0.00 N ATOM 0 H ARG A 39 -4.017 1.404 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.794 1.905 -12.691 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.376 -0.237 -12.157 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.272 0.415 -13.514 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.707 -0.965 -14.615 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.902 0.591 -14.685 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.399 0.046 -12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.441 -1.215 -12.287 1.00 0.00 H new ATOM 0 HE ARG A 39 0.661 -1.841 -13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.082 -1.212 -16.339 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.860 -2.767 -16.656 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.095 -4.074 -13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.867 -4.372 -15.066 1.00 0.00 H new ATOM 635 N ASN A 40 -3.880 2.417 -14.757 1.00 0.00 N ATOM 636 CA ASN A 40 -4.534 3.357 -15.715 1.00 0.00 C ATOM 637 C ASN A 40 -6.047 3.346 -15.469 1.00 0.00 C ATOM 638 O ASN A 40 -6.839 3.307 -16.390 1.00 0.00 O ATOM 639 CB ASN A 40 -4.245 2.909 -17.149 1.00 0.00 C ATOM 640 CG ASN A 40 -4.266 4.125 -18.078 1.00 0.00 C ATOM 641 OD1 ASN A 40 -3.637 4.120 -19.118 1.00 0.00 O ATOM 642 ND2 ASN A 40 -4.968 5.173 -17.746 1.00 0.00 N ATOM 0 H ASN A 40 -3.740 1.469 -15.108 1.00 0.00 H new ATOM 0 HA ASN A 40 -4.144 4.364 -15.569 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.274 2.417 -17.199 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.989 2.180 -17.470 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.989 5.988 -18.359 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.496 5.178 -16.873 1.00 0.00 H new ATOM 649 N GLU A 41 -6.448 3.372 -14.227 1.00 0.00 N ATOM 650 CA GLU A 41 -7.898 3.354 -13.890 1.00 0.00 C ATOM 651 C GLU A 41 -8.584 2.176 -14.579 1.00 0.00 C ATOM 652 O GLU A 41 -9.474 2.355 -15.387 1.00 0.00 O ATOM 653 CB GLU A 41 -8.551 4.666 -14.331 1.00 0.00 C ATOM 654 CG GLU A 41 -9.809 4.916 -13.498 1.00 0.00 C ATOM 655 CD GLU A 41 -10.511 6.180 -13.996 1.00 0.00 C ATOM 656 OE1 GLU A 41 -9.817 7.102 -14.391 1.00 0.00 O ATOM 657 OE2 GLU A 41 -11.730 6.203 -13.975 1.00 0.00 O ATOM 0 H GLU A 41 -5.823 3.405 -13.422 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.008 3.244 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.851 5.492 -14.208 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.806 4.619 -15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.482 4.061 -13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.545 5.025 -12.446 1.00 0.00 H new ATOM 664 N PRO A 42 -8.149 1.003 -14.215 1.00 0.00 N ATOM 665 CA PRO A 42 -8.663 -0.294 -14.718 1.00 0.00 C ATOM 666 C PRO A 42 -9.895 -0.702 -13.913 1.00 0.00 C ATOM 667 O PRO A 42 -11.024 -0.489 -14.311 1.00 0.00 O ATOM 668 CB PRO A 42 -7.533 -1.292 -14.477 1.00 0.00 C ATOM 669 CG PRO A 42 -6.686 -0.705 -13.339 1.00 0.00 C ATOM 670 CD PRO A 42 -7.054 0.774 -13.234 1.00 0.00 C ATOM 0 HA PRO A 42 -8.950 -0.247 -15.768 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.928 -2.271 -14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.935 -1.429 -15.378 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.888 -1.221 -12.401 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.623 -0.825 -13.547 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.379 1.023 -12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.194 1.405 -13.457 1.00 0.00 H new ATOM 678 N ASN A 43 -9.666 -1.282 -12.777 1.00 0.00 N ATOM 679 CA ASN A 43 -10.779 -1.722 -11.895 1.00 0.00 C ATOM 680 C ASN A 43 -10.175 -2.261 -10.597 1.00 0.00 C ATOM 681 O ASN A 43 -10.426 -3.383 -10.202 1.00 0.00 O ATOM 682 CB ASN A 43 -11.582 -2.825 -12.589 1.00 0.00 C ATOM 683 CG ASN A 43 -12.857 -2.230 -13.189 1.00 0.00 C ATOM 684 OD1 ASN A 43 -13.428 -1.308 -12.638 1.00 0.00 O ATOM 685 ND2 ASN A 43 -13.330 -2.719 -14.301 1.00 0.00 N ATOM 0 H ASN A 43 -8.734 -1.476 -12.411 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.445 -0.886 -11.682 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.981 -3.289 -13.372 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.835 -3.609 -11.875 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.179 -2.328 -14.709 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.851 -3.492 -14.763 1.00 0.00 H new ATOM 692 N SER A 44 -9.366 -1.467 -9.944 1.00 0.00 N ATOM 693 CA SER A 44 -8.714 -1.919 -8.680 1.00 0.00 C ATOM 694 C SER A 44 -7.580 -0.948 -8.326 1.00 0.00 C ATOM 695 O SER A 44 -7.437 0.096 -8.929 1.00 0.00 O ATOM 696 CB SER A 44 -8.131 -3.318 -8.887 1.00 0.00 C ATOM 697 OG SER A 44 -7.682 -3.455 -10.231 1.00 0.00 O ATOM 0 H SER A 44 -9.128 -0.519 -10.235 1.00 0.00 H new ATOM 0 HA SER A 44 -9.447 -1.942 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.303 -3.483 -8.198 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.885 -4.073 -8.666 1.00 0.00 H new ATOM 0 HG SER A 44 -7.761 -4.392 -10.508 1.00 0.00 H new ATOM 703 N TYR A 45 -6.767 -1.285 -7.359 1.00 0.00 N ATOM 704 CA TYR A 45 -5.644 -0.376 -6.980 1.00 0.00 C ATOM 705 C TYR A 45 -4.426 -1.212 -6.580 1.00 0.00 C ATOM 706 O TYR A 45 -4.355 -2.391 -6.862 1.00 0.00 O ATOM 707 CB TYR A 45 -6.069 0.517 -5.812 1.00 0.00 C ATOM 708 CG TYR A 45 -6.486 -0.334 -4.636 1.00 0.00 C ATOM 709 CD1 TYR A 45 -7.648 -1.110 -4.708 1.00 0.00 C ATOM 710 CD2 TYR A 45 -5.712 -0.339 -3.469 1.00 0.00 C ATOM 711 CE1 TYR A 45 -8.037 -1.892 -3.614 1.00 0.00 C ATOM 712 CE2 TYR A 45 -6.100 -1.122 -2.375 1.00 0.00 C ATOM 713 CZ TYR A 45 -7.262 -1.897 -2.447 1.00 0.00 C ATOM 714 OH TYR A 45 -7.645 -2.668 -1.368 1.00 0.00 O ATOM 0 H TYR A 45 -6.831 -2.147 -6.817 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.386 0.255 -7.831 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.245 1.170 -5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.895 1.160 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.245 -1.106 -5.608 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.816 0.261 -3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.934 -2.491 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.502 -1.127 -1.476 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.367 -3.273 -1.638 1.00 0.00 H new ATOM 724 N ALA A 46 -3.457 -0.616 -5.931 1.00 0.00 N ATOM 725 CA ALA A 46 -2.250 -1.396 -5.534 1.00 0.00 C ATOM 726 C ALA A 46 -1.553 -0.716 -4.353 1.00 0.00 C ATOM 727 O ALA A 46 -1.562 0.488 -4.228 1.00 0.00 O ATOM 728 CB ALA A 46 -1.285 -1.464 -6.720 1.00 0.00 C ATOM 0 H ALA A 46 -3.451 0.368 -5.662 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.551 -2.402 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.400 -2.033 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.776 -1.952 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.991 -0.455 -7.008 1.00 0.00 H new ATOM 734 N ILE A 47 -0.940 -1.478 -3.488 1.00 0.00 N ATOM 735 CA ILE A 47 -0.237 -0.866 -2.325 1.00 0.00 C ATOM 736 C ILE A 47 1.269 -0.861 -2.597 1.00 0.00 C ATOM 737 O ILE A 47 1.911 -1.892 -2.614 1.00 0.00 O ATOM 738 CB ILE A 47 -0.532 -1.675 -1.060 1.00 0.00 C ATOM 739 CG1 ILE A 47 -2.003 -1.494 -0.673 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.357 -1.185 0.085 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.547 -2.805 -0.103 1.00 0.00 C ATOM 0 H ILE A 47 -0.896 -2.496 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.586 0.157 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.329 -2.729 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.100 -0.697 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.585 -1.195 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.144 -1.763 0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.405 -1.311 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.156 -0.131 0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.594 -2.676 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.464 -3.591 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.972 -3.084 0.780 1.00 0.00 H new ATOM 753 N SER A 48 1.838 0.292 -2.825 1.00 0.00 N ATOM 754 CA SER A 48 3.299 0.359 -3.111 1.00 0.00 C ATOM 755 C SER A 48 4.075 0.648 -1.823 1.00 0.00 C ATOM 756 O SER A 48 4.010 1.731 -1.277 1.00 0.00 O ATOM 757 CB SER A 48 3.564 1.476 -4.120 1.00 0.00 C ATOM 758 OG SER A 48 3.377 2.735 -3.488 1.00 0.00 O ATOM 0 H SER A 48 1.354 1.190 -2.825 1.00 0.00 H new ATOM 0 HA SER A 48 3.627 -0.597 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.580 1.398 -4.507 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.890 1.380 -4.971 1.00 0.00 H new ATOM 0 HG SER A 48 3.185 2.598 -2.537 1.00 0.00 H new ATOM 764 N PHE A 49 4.820 -0.311 -1.340 1.00 0.00 N ATOM 765 CA PHE A 49 5.611 -0.090 -0.098 1.00 0.00 C ATOM 766 C PHE A 49 6.982 -0.752 -0.250 1.00 0.00 C ATOM 767 O PHE A 49 7.088 -1.900 -0.636 1.00 0.00 O ATOM 768 CB PHE A 49 4.874 -0.692 1.102 1.00 0.00 C ATOM 769 CG PHE A 49 4.719 -2.183 0.912 1.00 0.00 C ATOM 770 CD1 PHE A 49 3.744 -2.680 0.040 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.549 -3.068 1.612 1.00 0.00 C ATOM 772 CE1 PHE A 49 3.598 -4.062 -0.131 1.00 0.00 C ATOM 773 CE2 PHE A 49 5.402 -4.449 1.441 1.00 0.00 C ATOM 774 CZ PHE A 49 4.427 -4.946 0.568 1.00 0.00 C ATOM 0 H PHE A 49 4.914 -1.238 -1.754 1.00 0.00 H new ATOM 0 HA PHE A 49 5.739 0.980 0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.427 -0.489 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.895 -0.226 1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.105 -1.998 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.303 -2.684 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.845 -4.446 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.041 -5.131 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.315 -6.012 0.434 1.00 0.00 H new ATOM 784 N ARG A 50 8.034 -0.035 0.039 1.00 0.00 N ATOM 785 CA ARG A 50 9.397 -0.622 -0.099 1.00 0.00 C ATOM 786 C ARG A 50 9.908 -1.079 1.269 1.00 0.00 C ATOM 787 O ARG A 50 9.826 -0.360 2.247 1.00 0.00 O ATOM 788 CB ARG A 50 10.348 0.434 -0.668 1.00 0.00 C ATOM 789 CG ARG A 50 10.329 1.672 0.231 1.00 0.00 C ATOM 790 CD ARG A 50 9.884 2.894 -0.576 1.00 0.00 C ATOM 791 NE ARG A 50 9.566 4.013 0.355 1.00 0.00 N ATOM 792 CZ ARG A 50 9.473 5.234 -0.096 1.00 0.00 C ATOM 793 NH1 ARG A 50 10.467 5.764 -0.756 1.00 0.00 N ATOM 794 NH2 ARG A 50 8.386 5.925 0.114 1.00 0.00 N ATOM 0 H ARG A 50 8.008 0.931 0.365 1.00 0.00 H new ATOM 0 HA ARG A 50 9.353 -1.479 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.359 0.032 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.048 0.702 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.652 1.513 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.321 1.843 0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.672 3.194 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.009 2.647 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 50 9.421 3.824 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.317 5.224 -0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.394 6.718 -1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.610 5.511 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.312 6.879 -0.238 1.00 0.00 H new ATOM 808 N ALA A 51 10.438 -2.271 1.343 1.00 0.00 N ATOM 809 CA ALA A 51 10.959 -2.778 2.641 1.00 0.00 C ATOM 810 C ALA A 51 12.386 -2.270 2.859 1.00 0.00 C ATOM 811 O ALA A 51 12.791 -1.265 2.308 1.00 0.00 O ATOM 812 CB ALA A 51 10.959 -4.308 2.628 1.00 0.00 C ATOM 0 H ALA A 51 10.532 -2.915 0.558 1.00 0.00 H new ATOM 0 HA ALA A 51 10.322 -2.420 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.341 -4.680 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.942 -4.671 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.594 -4.665 1.817 1.00 0.00 H new ATOM 818 N GLU A 52 13.151 -2.956 3.664 1.00 0.00 N ATOM 819 CA GLU A 52 14.548 -2.512 3.931 1.00 0.00 C ATOM 820 C GLU A 52 15.377 -2.575 2.645 1.00 0.00 C ATOM 821 O GLU A 52 15.678 -3.638 2.139 1.00 0.00 O ATOM 822 CB GLU A 52 15.178 -3.428 4.982 1.00 0.00 C ATOM 823 CG GLU A 52 16.034 -2.596 5.939 1.00 0.00 C ATOM 824 CD GLU A 52 15.791 -3.060 7.376 1.00 0.00 C ATOM 825 OE1 GLU A 52 14.654 -3.371 7.693 1.00 0.00 O ATOM 826 OE2 GLU A 52 16.745 -3.096 8.136 1.00 0.00 O ATOM 0 H GLU A 52 12.867 -3.807 4.149 1.00 0.00 H new ATOM 0 HA GLU A 52 14.531 -1.485 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.399 -3.952 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.791 -4.188 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.089 -2.701 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.786 -1.539 5.840 1.00 0.00 H new ATOM 833 N GLY A 53 15.753 -1.439 2.120 1.00 0.00 N ATOM 834 CA GLY A 53 16.570 -1.417 0.874 1.00 0.00 C ATOM 835 C GLY A 53 15.944 -2.339 -0.172 1.00 0.00 C ATOM 836 O GLY A 53 16.628 -2.902 -1.004 1.00 0.00 O ATOM 0 H GLY A 53 15.527 -0.521 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.631 -0.400 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.589 -1.737 1.091 1.00 0.00 H new ATOM 840 N LYS A 54 14.650 -2.501 -0.143 1.00 0.00 N ATOM 841 CA LYS A 54 13.998 -3.390 -1.144 1.00 0.00 C ATOM 842 C LYS A 54 12.652 -2.798 -1.562 1.00 0.00 C ATOM 843 O LYS A 54 12.024 -2.071 -0.818 1.00 0.00 O ATOM 844 CB LYS A 54 13.778 -4.774 -0.527 1.00 0.00 C ATOM 845 CG LYS A 54 14.080 -5.851 -1.570 1.00 0.00 C ATOM 846 CD LYS A 54 14.078 -7.226 -0.900 1.00 0.00 C ATOM 847 CE LYS A 54 15.473 -7.528 -0.347 1.00 0.00 C ATOM 848 NZ LYS A 54 15.384 -7.775 1.120 1.00 0.00 N ATOM 0 H LYS A 54 14.020 -2.059 0.526 1.00 0.00 H new ATOM 0 HA LYS A 54 14.639 -3.478 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.423 -4.903 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.750 -4.869 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.335 -5.821 -2.365 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.048 -5.662 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.344 -7.249 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.787 -7.992 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.894 -8.400 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.143 -6.692 -0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.332 -7.980 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.000 -6.931 1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.758 -8.586 1.298 1.00 0.00 H new ATOM 862 N ILE A 55 12.201 -3.109 -2.746 1.00 0.00 N ATOM 863 CA ILE A 55 10.893 -2.573 -3.212 1.00 0.00 C ATOM 864 C ILE A 55 9.823 -3.646 -3.013 1.00 0.00 C ATOM 865 O ILE A 55 10.068 -4.820 -3.212 1.00 0.00 O ATOM 866 CB ILE A 55 10.986 -2.212 -4.695 1.00 0.00 C ATOM 867 CG1 ILE A 55 12.250 -1.386 -4.940 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.759 -1.394 -5.101 1.00 0.00 C ATOM 869 CD1 ILE A 55 12.312 -0.236 -3.936 1.00 0.00 C ATOM 0 H ILE A 55 12.684 -3.713 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 55 10.634 -1.680 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 55 11.026 -3.126 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.134 -2.017 -4.841 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.250 -0.995 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.826 -1.137 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.857 -1.980 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.718 -0.481 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.213 0.352 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.435 0.400 -4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.333 -0.638 -2.923 1.00 0.00 H new ATOM 881 N LYS A 56 8.642 -3.265 -2.613 1.00 0.00 N ATOM 882 CA LYS A 56 7.580 -4.285 -2.398 1.00 0.00 C ATOM 883 C LYS A 56 6.219 -3.730 -2.823 1.00 0.00 C ATOM 884 O LYS A 56 5.385 -3.409 -1.999 1.00 0.00 O ATOM 885 CB LYS A 56 7.535 -4.662 -0.917 1.00 0.00 C ATOM 886 CG LYS A 56 7.246 -6.158 -0.780 1.00 0.00 C ATOM 887 CD LYS A 56 8.564 -6.922 -0.650 1.00 0.00 C ATOM 888 CE LYS A 56 8.288 -8.335 -0.132 1.00 0.00 C ATOM 889 NZ LYS A 56 8.838 -9.332 -1.093 1.00 0.00 N ATOM 0 H LYS A 56 8.368 -2.300 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 56 7.806 -5.166 -2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.484 -4.419 -0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.765 -4.084 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.620 -6.340 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.692 -6.513 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.066 -6.969 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.234 -6.398 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.744 -8.470 0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.216 -8.486 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.651 -10.293 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.384 -9.208 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.864 -9.192 -1.189 1.00 0.00 H new ATOM 903 N HIS A 57 5.976 -3.631 -4.101 1.00 0.00 N ATOM 904 CA HIS A 57 4.656 -3.119 -4.563 1.00 0.00 C ATOM 905 C HIS A 57 3.598 -4.182 -4.269 1.00 0.00 C ATOM 906 O HIS A 57 3.920 -5.303 -3.946 1.00 0.00 O ATOM 907 CB HIS A 57 4.708 -2.844 -6.068 1.00 0.00 C ATOM 908 CG HIS A 57 5.588 -1.652 -6.331 1.00 0.00 C ATOM 909 ND1 HIS A 57 6.349 -1.537 -7.483 1.00 0.00 N ATOM 910 CD2 HIS A 57 5.837 -0.516 -5.602 1.00 0.00 C ATOM 911 CE1 HIS A 57 7.015 -0.370 -7.414 1.00 0.00 C ATOM 912 NE2 HIS A 57 6.738 0.293 -6.288 1.00 0.00 N ATOM 0 H HIS A 57 6.631 -3.881 -4.842 1.00 0.00 H new ATOM 0 HA HIS A 57 4.410 -2.192 -4.045 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.093 -3.717 -6.595 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.704 -2.659 -6.449 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.396 -2.214 -8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.400 -0.285 -4.642 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.691 -0.013 -8.176 1.00 0.00 H new ATOM 920 N CYS A 58 2.344 -3.848 -4.375 1.00 0.00 N ATOM 921 CA CYS A 58 1.284 -4.860 -4.094 1.00 0.00 C ATOM 922 C CYS A 58 0.084 -4.593 -5.002 1.00 0.00 C ATOM 923 O CYS A 58 -0.166 -3.474 -5.398 1.00 0.00 O ATOM 924 CB CYS A 58 0.871 -4.766 -2.623 1.00 0.00 C ATOM 925 SG CYS A 58 -0.683 -5.656 -2.355 1.00 0.00 S ATOM 0 H CYS A 58 2.006 -2.924 -4.642 1.00 0.00 H new ATOM 0 HA CYS A 58 1.662 -5.863 -4.290 1.00 0.00 H new ATOM 0 HB2 CYS A 58 1.653 -5.185 -1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.755 -3.721 -2.336 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.630 -5.092 -3.044 1.00 0.00 H new ATOM 931 N ARG A 59 -0.653 -5.613 -5.351 1.00 0.00 N ATOM 932 CA ARG A 59 -1.823 -5.407 -6.250 1.00 0.00 C ATOM 933 C ARG A 59 -3.121 -5.781 -5.532 1.00 0.00 C ATOM 934 O ARG A 59 -3.409 -6.939 -5.308 1.00 0.00 O ATOM 935 CB ARG A 59 -1.664 -6.283 -7.494 1.00 0.00 C ATOM 936 CG ARG A 59 -1.001 -5.471 -8.609 1.00 0.00 C ATOM 937 CD ARG A 59 -1.960 -5.357 -9.796 1.00 0.00 C ATOM 938 NE ARG A 59 -3.176 -4.602 -9.381 1.00 0.00 N ATOM 939 CZ ARG A 59 -3.989 -4.129 -10.286 1.00 0.00 C ATOM 940 NH1 ARG A 59 -3.574 -3.218 -11.123 1.00 0.00 N ATOM 941 NH2 ARG A 59 -5.216 -4.567 -10.353 1.00 0.00 N ATOM 0 H ARG A 59 -0.496 -6.576 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.868 -4.356 -6.536 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.060 -7.160 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.638 -6.646 -7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.738 -4.478 -8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.074 -5.952 -8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.469 -4.849 -10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.238 -6.350 -10.149 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.373 -4.455 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.615 -2.876 -11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.209 -2.848 -11.830 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.540 -5.279 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.852 -4.198 -11.060 1.00 0.00 H new ATOM 955 N VAL A 60 -3.918 -4.805 -5.192 1.00 0.00 N ATOM 956 CA VAL A 60 -5.211 -5.095 -4.514 1.00 0.00 C ATOM 957 C VAL A 60 -6.336 -4.948 -5.540 1.00 0.00 C ATOM 958 O VAL A 60 -6.165 -4.317 -6.563 1.00 0.00 O ATOM 959 CB VAL A 60 -5.425 -4.104 -3.369 1.00 0.00 C ATOM 960 CG1 VAL A 60 -6.396 -4.702 -2.351 1.00 0.00 C ATOM 961 CG2 VAL A 60 -4.086 -3.816 -2.685 1.00 0.00 C ATOM 0 H VAL A 60 -3.728 -3.816 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.204 -6.106 -4.107 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.838 -3.177 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.548 -3.996 -1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.350 -4.908 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.983 -5.630 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.239 -3.110 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.673 -4.744 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.392 -3.389 -3.409 1.00 0.00 H new ATOM 971 N GLN A 61 -7.480 -5.527 -5.292 1.00 0.00 N ATOM 972 CA GLN A 61 -8.589 -5.412 -6.281 1.00 0.00 C ATOM 973 C GLN A 61 -9.773 -4.664 -5.666 1.00 0.00 C ATOM 974 O GLN A 61 -9.782 -4.348 -4.493 1.00 0.00 O ATOM 975 CB GLN A 61 -9.037 -6.813 -6.708 1.00 0.00 C ATOM 976 CG GLN A 61 -7.900 -7.505 -7.462 1.00 0.00 C ATOM 977 CD GLN A 61 -8.198 -9.001 -7.576 1.00 0.00 C ATOM 978 OE1 GLN A 61 -8.063 -9.733 -6.617 1.00 0.00 O ATOM 979 NE2 GLN A 61 -8.599 -9.488 -8.718 1.00 0.00 N ATOM 0 H GLN A 61 -7.693 -6.070 -4.455 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.233 -4.857 -7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.317 -7.399 -5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -9.921 -6.746 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.790 -7.069 -8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.956 -7.350 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.712 -8.872 -9.523 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.799 -10.484 -8.805 1.00 0.00 H new ATOM 988 N GLN A 62 -10.773 -4.380 -6.458 1.00 0.00 N ATOM 989 CA GLN A 62 -11.965 -3.654 -5.938 1.00 0.00 C ATOM 990 C GLN A 62 -13.200 -4.066 -6.743 1.00 0.00 C ATOM 991 O GLN A 62 -13.146 -4.210 -7.948 1.00 0.00 O ATOM 992 CB GLN A 62 -11.746 -2.146 -6.075 1.00 0.00 C ATOM 993 CG GLN A 62 -12.962 -1.401 -5.520 1.00 0.00 C ATOM 994 CD GLN A 62 -12.592 0.060 -5.259 1.00 0.00 C ATOM 995 OE1 GLN A 62 -13.302 0.961 -5.662 1.00 0.00 O ATOM 996 NE2 GLN A 62 -11.502 0.337 -4.596 1.00 0.00 N ATOM 0 H GLN A 62 -10.814 -4.622 -7.448 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.114 -3.903 -4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.847 -1.848 -5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.592 -1.884 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.789 -1.457 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.300 -1.872 -4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.905 -0.418 -4.257 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.247 1.308 -4.417 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.311 -4.263 -6.087 1.00 0.00 N ATOM 1006 CA GLU A 63 -15.546 -4.671 -6.817 1.00 0.00 C ATOM 1007 C GLU A 63 -16.486 -3.470 -6.949 1.00 0.00 C ATOM 1008 O GLU A 63 -16.199 -2.389 -6.474 1.00 0.00 O ATOM 1009 CB GLU A 63 -16.249 -5.786 -6.040 1.00 0.00 C ATOM 1010 CG GLU A 63 -15.989 -7.129 -6.727 1.00 0.00 C ATOM 1011 CD GLU A 63 -14.806 -7.827 -6.052 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -14.114 -7.172 -5.290 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -14.613 -9.002 -6.310 1.00 0.00 O ATOM 0 H GLU A 63 -14.417 -4.159 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.278 -5.030 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.884 -5.814 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.320 -5.591 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.878 -7.758 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.778 -6.974 -7.785 1.00 0.00 H new ATOM 1020 N GLY A 64 -17.608 -3.653 -7.589 1.00 0.00 N ATOM 1021 CA GLY A 64 -18.567 -2.524 -7.752 1.00 0.00 C ATOM 1022 C GLY A 64 -19.276 -2.263 -6.422 1.00 0.00 C ATOM 1023 O GLY A 64 -19.922 -3.132 -5.872 1.00 0.00 O ATOM 0 H GLY A 64 -17.902 -4.536 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.039 -1.628 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.297 -2.762 -8.525 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.156 -1.072 -5.901 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.818 -0.752 -4.604 1.00 0.00 C ATOM 1029 C GLN A 65 -19.104 -1.489 -3.467 1.00 0.00 C ATOM 1030 O GLN A 65 -19.523 -1.445 -2.328 1.00 0.00 O ATOM 1031 CB GLN A 65 -21.284 -1.191 -4.657 1.00 0.00 C ATOM 1032 CG GLN A 65 -22.189 0.020 -4.415 1.00 0.00 C ATOM 1033 CD GLN A 65 -23.653 -0.416 -4.478 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -24.485 0.286 -5.019 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -24.006 -1.553 -3.945 1.00 0.00 N ATOM 0 H GLN A 65 -18.627 -0.306 -6.318 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.766 0.322 -4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.506 -1.637 -5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.473 -1.956 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.972 0.461 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.995 0.788 -5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -23.308 -2.142 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -24.980 -1.853 -3.982 1.00 0.00 H new ATOM 1044 N THR A 66 -18.029 -2.165 -3.768 1.00 0.00 N ATOM 1045 CA THR A 66 -17.290 -2.902 -2.706 1.00 0.00 C ATOM 1046 C THR A 66 -15.804 -2.954 -3.065 1.00 0.00 C ATOM 1047 O THR A 66 -15.383 -2.438 -4.081 1.00 0.00 O ATOM 1048 CB THR A 66 -17.836 -4.324 -2.601 1.00 0.00 C ATOM 1049 OG1 THR A 66 -19.223 -4.322 -2.908 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.624 -4.853 -1.181 1.00 0.00 C ATOM 0 H THR A 66 -17.631 -2.238 -4.704 1.00 0.00 H new ATOM 0 HA THR A 66 -17.418 -2.391 -1.752 1.00 0.00 H new ATOM 0 HB THR A 66 -17.310 -4.967 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 66 -19.574 -5.235 -2.842 1.00 0.00 H new ATOM 0 HG21 THR A 66 -18.015 -5.868 -1.109 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.559 -4.857 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.147 -4.212 -0.472 1.00 0.00 H new ATOM 1058 N VAL A 67 -15.003 -3.576 -2.243 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.548 -3.659 -2.548 1.00 0.00 C ATOM 1060 C VAL A 67 -13.002 -5.011 -2.083 1.00 0.00 C ATOM 1061 O VAL A 67 -13.481 -5.589 -1.129 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.805 -2.528 -1.830 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.644 -2.869 -0.346 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.423 -2.349 -2.463 1.00 0.00 C ATOM 0 H VAL A 67 -15.293 -4.029 -1.376 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.399 -3.561 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.377 -1.605 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.115 -2.060 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.627 -2.997 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.075 -3.793 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.891 -1.545 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.857 -3.275 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.536 -2.099 -3.518 1.00 0.00 H new ATOM 1074 N MET A 68 -11.997 -5.513 -2.745 1.00 0.00 N ATOM 1075 CA MET A 68 -11.410 -6.820 -2.343 1.00 0.00 C ATOM 1076 C MET A 68 -9.961 -6.598 -1.916 1.00 0.00 C ATOM 1077 O MET A 68 -9.115 -6.247 -2.716 1.00 0.00 O ATOM 1078 CB MET A 68 -11.454 -7.785 -3.530 1.00 0.00 C ATOM 1079 CG MET A 68 -11.224 -9.214 -3.037 1.00 0.00 C ATOM 1080 SD MET A 68 -11.928 -10.382 -4.227 1.00 0.00 S ATOM 1081 CE MET A 68 -11.784 -11.865 -3.201 1.00 0.00 C ATOM 0 H MET A 68 -11.555 -5.071 -3.551 1.00 0.00 H new ATOM 0 HA MET A 68 -11.978 -7.245 -1.515 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.418 -7.714 -4.034 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.692 -7.514 -4.260 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.157 -9.401 -2.915 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.686 -9.352 -2.059 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.168 -12.725 -3.749 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.737 -12.033 -2.949 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.360 -11.731 -2.285 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.665 -6.786 -0.661 1.00 0.00 N ATOM 1092 CA LEU A 69 -8.269 -6.569 -0.192 1.00 0.00 C ATOM 1093 C LEU A 69 -7.413 -7.789 -0.540 1.00 0.00 C ATOM 1094 O LEU A 69 -6.525 -7.718 -1.366 1.00 0.00 O ATOM 1095 CB LEU A 69 -8.270 -6.341 1.325 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.830 -6.280 1.854 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -6.276 -7.698 2.008 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -5.950 -5.491 0.880 1.00 0.00 C ATOM 0 H LEU A 69 -10.326 -7.079 0.058 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.850 -5.692 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.791 -5.413 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.813 -7.146 1.820 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.829 -5.783 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.254 -7.650 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.895 -8.256 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.284 -8.199 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.930 -5.452 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.955 -5.981 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.338 -4.478 0.778 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.666 -8.907 0.083 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.860 -10.124 -0.217 1.00 0.00 C ATOM 1112 C GLY A 70 -7.566 -11.356 0.348 1.00 0.00 C ATOM 1113 O GLY A 70 -7.669 -12.377 -0.301 1.00 0.00 O ATOM 0 H GLY A 70 -8.395 -9.030 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.728 -10.229 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.865 -10.030 0.218 1.00 0.00 H new ATOM 1117 N ASN A 71 -8.055 -11.267 1.554 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.758 -12.432 2.160 1.00 0.00 C ATOM 1119 C ASN A 71 -10.244 -12.357 1.811 1.00 0.00 C ATOM 1120 O ASN A 71 -10.862 -13.343 1.460 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.590 -12.397 3.680 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.175 -11.930 4.027 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -6.250 -12.716 4.034 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -6.968 -10.674 4.316 1.00 0.00 N ATOM 0 H ASN A 71 -7.998 -10.438 2.146 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.335 -13.358 1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.325 -11.724 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.771 -13.387 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.028 -10.352 4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.746 -10.014 4.310 1.00 0.00 H new ATOM 1131 N SER A 72 -10.822 -11.192 1.901 1.00 0.00 N ATOM 1132 CA SER A 72 -12.267 -11.049 1.572 1.00 0.00 C ATOM 1133 C SER A 72 -12.530 -9.639 1.038 1.00 0.00 C ATOM 1134 O SER A 72 -11.616 -8.904 0.711 1.00 0.00 O ATOM 1135 CB SER A 72 -13.102 -11.281 2.832 1.00 0.00 C ATOM 1136 OG SER A 72 -12.874 -12.601 3.308 1.00 0.00 O ATOM 0 H SER A 72 -10.355 -10.332 2.189 1.00 0.00 H new ATOM 0 HA SER A 72 -12.542 -11.782 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.835 -10.554 3.599 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.160 -11.138 2.613 1.00 0.00 H new ATOM 0 HG SER A 72 -13.406 -12.754 4.117 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.773 -9.255 0.948 1.00 0.00 N ATOM 1143 CA GLU A 73 -14.097 -7.893 0.439 1.00 0.00 C ATOM 1144 C GLU A 73 -14.396 -6.971 1.622 1.00 0.00 C ATOM 1145 O GLU A 73 -15.265 -7.241 2.428 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.324 -7.968 -0.474 1.00 0.00 C ATOM 1147 CG GLU A 73 -14.904 -7.695 -1.920 1.00 0.00 C ATOM 1148 CD GLU A 73 -15.673 -8.625 -2.861 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -15.747 -9.806 -2.565 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -16.175 -8.140 -3.862 1.00 0.00 O ATOM 0 H GLU A 73 -14.579 -9.826 1.205 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.250 -7.501 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.787 -8.952 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.071 -7.240 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.103 -6.655 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.831 -7.852 -2.034 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.683 -5.883 1.739 1.00 0.00 N ATOM 1158 CA PHE A 74 -13.932 -4.951 2.875 1.00 0.00 C ATOM 1159 C PHE A 74 -14.960 -3.899 2.460 1.00 0.00 C ATOM 1160 O PHE A 74 -15.692 -4.072 1.505 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.625 -4.261 3.270 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.418 -4.398 4.759 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.951 -5.606 5.292 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.696 -3.321 5.608 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -11.761 -5.736 6.673 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -12.507 -3.451 6.989 1.00 0.00 C ATOM 1167 CZ PHE A 74 -12.039 -4.658 7.521 1.00 0.00 C ATOM 0 H PHE A 74 -12.941 -5.600 1.099 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.315 -5.515 3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.788 -4.707 2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.658 -3.208 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.737 -6.438 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -13.056 -2.389 5.198 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.400 -6.667 7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.722 -2.620 7.644 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.892 -4.757 8.586 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.024 -2.808 3.174 1.00 0.00 N ATOM 1178 CA ASP A 75 -16.008 -1.745 2.825 1.00 0.00 C ATOM 1179 C ASP A 75 -15.479 -0.916 1.654 1.00 0.00 C ATOM 1180 O ASP A 75 -16.237 -0.425 0.840 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.224 -0.834 4.036 1.00 0.00 C ATOM 1182 CG ASP A 75 -17.634 -0.244 3.986 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -18.312 -0.464 2.996 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -18.013 0.417 4.940 1.00 0.00 O ATOM 0 H ASP A 75 -14.437 -2.607 3.984 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.953 -2.208 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.087 -1.399 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -15.484 -0.034 4.039 1.00 0.00 H new ATOM 1189 N SER A 76 -14.187 -0.753 1.560 1.00 0.00 N ATOM 1190 CA SER A 76 -13.619 0.049 0.439 1.00 0.00 C ATOM 1191 C SER A 76 -12.132 0.300 0.695 1.00 0.00 C ATOM 1192 O SER A 76 -11.540 -0.283 1.578 1.00 0.00 O ATOM 1193 CB SER A 76 -14.349 1.388 0.344 1.00 0.00 C ATOM 1194 OG SER A 76 -14.778 1.782 1.641 1.00 0.00 O ATOM 0 H SER A 76 -13.502 -1.139 2.209 1.00 0.00 H new ATOM 0 HA SER A 76 -13.743 -0.499 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.690 2.146 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.206 1.302 -0.324 1.00 0.00 H new ATOM 0 HG SER A 76 -15.245 2.641 1.584 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.527 1.163 -0.074 1.00 0.00 N ATOM 1201 CA LEU A 77 -10.079 1.452 0.123 1.00 0.00 C ATOM 1202 C LEU A 77 -9.880 2.217 1.433 1.00 0.00 C ATOM 1203 O LEU A 77 -8.831 2.159 2.044 1.00 0.00 O ATOM 1204 CB LEU A 77 -9.564 2.298 -1.043 1.00 0.00 C ATOM 1205 CG LEU A 77 -8.402 1.575 -1.726 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -8.797 1.211 -3.158 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -7.177 2.492 -1.753 1.00 0.00 C ATOM 0 H LEU A 77 -11.974 1.681 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.527 0.513 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.366 2.476 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.237 3.273 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.165 0.666 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.969 0.696 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.670 0.558 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.035 2.119 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.348 1.978 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.415 3.401 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.894 2.752 -0.733 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.877 2.938 1.871 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.738 3.705 3.140 1.00 0.00 C ATOM 1221 C VAL A 78 -10.903 2.756 4.331 1.00 0.00 C ATOM 1222 O VAL A 78 -10.128 2.780 5.266 1.00 0.00 O ATOM 1223 CB VAL A 78 -11.810 4.797 3.199 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -11.407 5.856 4.227 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -11.944 5.452 1.822 1.00 0.00 C ATOM 0 H VAL A 78 -11.780 3.028 1.405 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.751 4.167 3.179 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.763 4.354 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.171 6.633 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.309 5.392 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.454 6.299 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.707 6.230 1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.990 5.894 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.231 4.700 1.088 1.00 0.00 H new ATOM 1235 N ASP A 79 -11.904 1.920 4.303 1.00 0.00 N ATOM 1236 CA ASP A 79 -12.110 0.970 5.433 1.00 0.00 C ATOM 1237 C ASP A 79 -11.008 -0.091 5.405 1.00 0.00 C ATOM 1238 O ASP A 79 -10.728 -0.740 6.396 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.475 0.293 5.289 1.00 0.00 C ATOM 1240 CG ASP A 79 -14.573 1.254 5.751 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -14.939 2.120 4.975 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -15.027 1.106 6.874 1.00 0.00 O ATOM 0 H ASP A 79 -12.587 1.853 3.548 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.074 1.511 6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.642 0.005 4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.504 -0.621 5.882 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.372 -0.264 4.277 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.283 -1.273 4.184 1.00 0.00 C ATOM 1249 C LEU A 80 -8.084 -0.768 4.979 1.00 0.00 C ATOM 1250 O LEU A 80 -7.506 -1.480 5.774 1.00 0.00 O ATOM 1251 CB LEU A 80 -8.880 -1.465 2.721 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.067 -2.930 2.327 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -8.950 -3.069 0.809 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -7.983 -3.774 3.001 1.00 0.00 C ATOM 0 H LEU A 80 -10.561 0.251 3.417 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.626 -2.227 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.485 -0.825 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.841 -1.169 2.577 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.051 -3.273 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.083 -4.114 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.718 -2.463 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.965 -2.730 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.111 -4.820 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.001 -3.431 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.064 -3.673 4.083 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.719 0.465 4.777 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.570 1.033 5.526 1.00 0.00 C ATOM 1268 C ILE A 81 -6.964 1.129 7.007 1.00 0.00 C ATOM 1269 O ILE A 81 -6.130 1.068 7.890 1.00 0.00 O ATOM 1270 CB ILE A 81 -6.239 2.421 4.942 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -5.016 2.301 4.030 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -5.939 3.433 6.052 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -5.442 1.735 2.674 1.00 0.00 C ATOM 0 H ILE A 81 -8.169 1.105 4.123 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.685 0.403 5.438 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.104 2.773 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.551 3.278 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.270 1.652 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.709 4.402 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.809 3.528 6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.085 3.090 6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.570 1.650 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.887 0.750 2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.172 2.401 2.215 1.00 0.00 H new ATOM 1285 N SER A 82 -8.234 1.277 7.275 1.00 0.00 N ATOM 1286 CA SER A 82 -8.695 1.376 8.687 1.00 0.00 C ATOM 1287 C SER A 82 -8.280 0.118 9.452 1.00 0.00 C ATOM 1288 O SER A 82 -7.506 0.179 10.388 1.00 0.00 O ATOM 1289 CB SER A 82 -10.217 1.509 8.715 1.00 0.00 C ATOM 1290 OG SER A 82 -10.703 1.073 9.977 1.00 0.00 O ATOM 0 H SER A 82 -8.973 1.334 6.574 1.00 0.00 H new ATOM 0 HA SER A 82 -8.243 2.250 9.156 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.506 2.545 8.539 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.660 0.914 7.916 1.00 0.00 H new ATOM 0 HG SER A 82 -11.679 1.158 9.999 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.790 -1.021 9.070 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.419 -2.273 9.791 1.00 0.00 C ATOM 1298 C TYR A 83 -6.996 -2.686 9.396 1.00 0.00 C ATOM 1299 O TYR A 83 -6.395 -3.545 10.010 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.422 -3.386 9.441 1.00 0.00 C ATOM 1301 CG TYR A 83 -8.995 -4.115 8.185 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.130 -5.212 8.275 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -9.467 -3.697 6.935 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -7.735 -5.890 7.115 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -9.072 -4.375 5.776 1.00 0.00 C ATOM 1306 CZ TYR A 83 -8.206 -5.471 5.866 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.817 -6.140 4.723 1.00 0.00 O ATOM 0 H TYR A 83 -9.443 -1.139 8.295 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.449 -2.103 10.867 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.495 -4.091 10.269 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.414 -2.957 9.299 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.767 -5.536 9.239 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.136 -2.852 6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.067 -6.736 7.185 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.436 -4.052 4.812 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.877 -6.404 4.803 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.454 -2.080 8.375 1.00 0.00 N ATOM 1318 CA TYR A 84 -5.073 -2.435 7.939 1.00 0.00 C ATOM 1319 C TYR A 84 -4.072 -2.001 9.010 1.00 0.00 C ATOM 1320 O TYR A 84 -3.086 -2.666 9.259 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.758 -1.719 6.625 1.00 0.00 C ATOM 1322 CG TYR A 84 -3.316 -1.960 6.249 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -2.774 -3.248 6.336 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -2.521 -0.895 5.809 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -1.438 -3.470 5.985 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -1.184 -1.117 5.457 1.00 0.00 C ATOM 1327 CZ TYR A 84 -0.642 -2.405 5.545 1.00 0.00 C ATOM 1328 OH TYR A 84 0.675 -2.624 5.199 1.00 0.00 O ATOM 0 H TYR A 84 -6.909 -1.353 7.823 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.002 -3.513 7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.416 -2.082 5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.943 -0.650 6.728 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.387 -4.070 6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.939 0.098 5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.020 -4.464 6.053 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.571 -0.295 5.118 1.00 0.00 H new ATOM 0 HH TYR A 84 1.083 -1.780 4.915 1.00 0.00 H new ATOM 1338 N GLU A 85 -4.315 -0.886 9.646 1.00 0.00 N ATOM 1339 CA GLU A 85 -3.374 -0.411 10.699 1.00 0.00 C ATOM 1340 C GLU A 85 -3.369 -1.402 11.866 1.00 0.00 C ATOM 1341 O GLU A 85 -2.539 -1.331 12.749 1.00 0.00 O ATOM 1342 CB GLU A 85 -3.825 0.964 11.200 1.00 0.00 C ATOM 1343 CG GLU A 85 -5.176 0.831 11.904 1.00 0.00 C ATOM 1344 CD GLU A 85 -5.030 1.243 13.370 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -4.621 2.368 13.611 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -5.330 0.429 14.227 1.00 0.00 O ATOM 0 H GLU A 85 -5.123 -0.285 9.482 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.369 -0.337 10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.084 1.374 11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.905 1.659 10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.918 1.459 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.533 -0.197 11.838 1.00 0.00 H new ATOM 1353 N LYS A 86 -4.291 -2.325 11.876 1.00 0.00 N ATOM 1354 CA LYS A 86 -4.340 -3.321 12.985 1.00 0.00 C ATOM 1355 C LYS A 86 -4.222 -4.737 12.411 1.00 0.00 C ATOM 1356 O LYS A 86 -4.180 -5.708 13.139 1.00 0.00 O ATOM 1357 CB LYS A 86 -5.667 -3.183 13.736 1.00 0.00 C ATOM 1358 CG LYS A 86 -5.680 -4.138 14.931 1.00 0.00 C ATOM 1359 CD LYS A 86 -5.965 -3.352 16.212 1.00 0.00 C ATOM 1360 CE LYS A 86 -7.396 -3.631 16.675 1.00 0.00 C ATOM 1361 NZ LYS A 86 -7.461 -4.979 17.308 1.00 0.00 N ATOM 0 H LYS A 86 -5.013 -2.433 11.164 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.513 -3.140 13.671 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.799 -2.156 14.076 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.499 -3.407 13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.439 -4.906 14.787 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.721 -4.649 15.012 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.258 -3.637 16.991 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.831 -2.285 16.034 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.715 -2.868 17.386 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.080 -3.582 15.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.377 -5.094 17.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.357 -5.711 16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.694 -5.073 18.004 1.00 0.00 H new ATOM 1375 N HIS A 87 -4.168 -4.862 11.112 1.00 0.00 N ATOM 1376 CA HIS A 87 -4.053 -6.214 10.496 1.00 0.00 C ATOM 1377 C HIS A 87 -2.875 -6.216 9.512 1.00 0.00 C ATOM 1378 O HIS A 87 -2.587 -5.217 8.883 1.00 0.00 O ATOM 1379 CB HIS A 87 -5.381 -6.553 9.785 1.00 0.00 C ATOM 1380 CG HIS A 87 -5.143 -7.191 8.438 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -4.779 -6.449 7.325 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -5.224 -8.493 8.009 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -4.659 -7.301 6.290 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -4.919 -8.561 6.654 1.00 0.00 N ATOM 0 H HIS A 87 -4.199 -4.086 10.451 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.865 -6.972 11.256 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.967 -7.228 10.409 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.969 -5.644 9.659 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.485 -9.337 8.630 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.386 -7.003 5.288 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.898 -9.393 6.065 1.00 0.00 H new ATOM 1392 N PRO A 88 -2.232 -7.350 9.418 1.00 0.00 N ATOM 1393 CA PRO A 88 -1.061 -7.592 8.535 1.00 0.00 C ATOM 1394 C PRO A 88 -1.524 -7.804 7.091 1.00 0.00 C ATOM 1395 O PRO A 88 -2.396 -8.604 6.821 1.00 0.00 O ATOM 1396 CB PRO A 88 -0.397 -8.857 9.073 1.00 0.00 C ATOM 1397 CG PRO A 88 -1.483 -9.612 9.844 1.00 0.00 C ATOM 1398 CD PRO A 88 -2.573 -8.584 10.180 1.00 0.00 C ATOM 0 HA PRO A 88 -0.373 -6.747 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.002 -9.466 8.260 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.442 -8.610 9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.889 -10.427 9.244 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.076 -10.057 10.752 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.558 -8.955 9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.602 -8.384 11.251 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.942 -7.096 6.163 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.346 -7.256 4.738 1.00 0.00 C ATOM 1408 C LEU A 89 -0.590 -8.437 4.129 1.00 0.00 C ATOM 1409 O LEU A 89 -1.154 -9.483 3.875 1.00 0.00 O ATOM 1410 CB LEU A 89 -1.008 -5.976 3.971 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.145 -6.225 2.470 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -2.006 -5.124 1.847 1.00 0.00 C ATOM 1413 CD2 LEU A 89 0.243 -6.211 1.825 1.00 0.00 C ATOM 0 H LEU A 89 -0.203 -6.413 6.330 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.418 -7.442 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.674 -5.170 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.008 -5.657 4.206 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.616 -7.194 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.104 -5.301 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.994 -5.130 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.534 -4.155 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.148 -6.388 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.712 -5.241 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.859 -6.993 2.269 1.00 0.00 H new ATOM 1425 N TYR A 90 0.686 -8.286 3.901 1.00 0.00 N ATOM 1426 CA TYR A 90 1.474 -9.408 3.321 1.00 0.00 C ATOM 1427 C TYR A 90 1.949 -10.319 4.458 1.00 0.00 C ATOM 1428 O TYR A 90 1.239 -10.545 5.418 1.00 0.00 O ATOM 1429 CB TYR A 90 2.671 -8.840 2.542 1.00 0.00 C ATOM 1430 CG TYR A 90 3.152 -9.855 1.525 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.230 -10.607 0.788 1.00 0.00 C ATOM 1432 CD2 TYR A 90 4.525 -10.047 1.327 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.680 -11.549 -0.145 1.00 0.00 C ATOM 1434 CE2 TYR A 90 4.974 -10.988 0.394 1.00 0.00 C ATOM 1435 CZ TYR A 90 4.051 -11.740 -0.340 1.00 0.00 C ATOM 1436 OH TYR A 90 4.495 -12.670 -1.260 1.00 0.00 O ATOM 0 H TYR A 90 1.215 -7.435 4.091 1.00 0.00 H new ATOM 0 HA TYR A 90 0.859 -9.989 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.384 -7.916 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.479 -8.591 3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.171 -10.461 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.238 -9.468 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.968 -12.128 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.033 -11.134 0.241 1.00 0.00 H new ATOM 0 HH TYR A 90 5.475 -12.676 -1.272 1.00 0.00 H new ATOM 1446 N ARG A 91 3.131 -10.852 4.358 1.00 0.00 N ATOM 1447 CA ARG A 91 3.637 -11.755 5.431 1.00 0.00 C ATOM 1448 C ARG A 91 3.784 -10.972 6.737 1.00 0.00 C ATOM 1449 O ARG A 91 3.201 -11.319 7.746 1.00 0.00 O ATOM 1450 CB ARG A 91 5.002 -12.312 5.020 1.00 0.00 C ATOM 1451 CG ARG A 91 5.020 -13.829 5.212 1.00 0.00 C ATOM 1452 CD ARG A 91 4.463 -14.177 6.594 1.00 0.00 C ATOM 1453 NE ARG A 91 5.386 -15.129 7.274 1.00 0.00 N ATOM 1454 CZ ARG A 91 5.276 -15.341 8.557 1.00 0.00 C ATOM 1455 NH1 ARG A 91 4.108 -15.264 9.133 1.00 0.00 N ATOM 1456 NH2 ARG A 91 6.334 -15.633 9.264 1.00 0.00 N ATOM 0 H ARG A 91 3.772 -10.703 3.579 1.00 0.00 H new ATOM 0 HA ARG A 91 2.932 -12.574 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.207 -12.065 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.788 -11.851 5.618 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.425 -14.311 4.437 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.038 -14.206 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.351 -13.272 7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.472 -14.620 6.498 1.00 0.00 H new ATOM 0 HE ARG A 91 6.104 -15.615 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.281 -15.038 8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.022 -15.430 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.247 -15.695 8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.248 -15.799 10.267 1.00 0.00 H new ATOM 1470 N LYS A 92 4.557 -9.922 6.731 1.00 0.00 N ATOM 1471 CA LYS A 92 4.737 -9.127 7.975 1.00 0.00 C ATOM 1472 C LYS A 92 4.911 -7.648 7.619 1.00 0.00 C ATOM 1473 O LYS A 92 5.907 -7.034 7.946 1.00 0.00 O ATOM 1474 CB LYS A 92 5.976 -9.623 8.724 1.00 0.00 C ATOM 1475 CG LYS A 92 7.174 -9.645 7.773 1.00 0.00 C ATOM 1476 CD LYS A 92 8.344 -8.892 8.410 1.00 0.00 C ATOM 1477 CE LYS A 92 9.161 -9.854 9.274 1.00 0.00 C ATOM 1478 NZ LYS A 92 8.477 -10.046 10.584 1.00 0.00 N ATOM 0 H LYS A 92 5.071 -9.581 5.919 1.00 0.00 H new ATOM 0 HA LYS A 92 3.859 -9.244 8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.185 -8.973 9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.797 -10.621 9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.463 -10.674 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.906 -9.185 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.975 -8.457 7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.972 -8.067 9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.272 -10.812 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.164 -9.458 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.163 -10.388 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.077 -9.141 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.713 -10.744 10.478 1.00 0.00 H new ATOM 1492 N MET A 93 3.947 -7.072 6.955 1.00 0.00 N ATOM 1493 CA MET A 93 4.055 -5.633 6.582 1.00 0.00 C ATOM 1494 C MET A 93 2.764 -4.911 6.970 1.00 0.00 C ATOM 1495 O MET A 93 1.678 -5.432 6.809 1.00 0.00 O ATOM 1496 CB MET A 93 4.275 -5.512 5.074 1.00 0.00 C ATOM 1497 CG MET A 93 5.775 -5.520 4.778 1.00 0.00 C ATOM 1498 SD MET A 93 6.359 -7.229 4.660 1.00 0.00 S ATOM 1499 CE MET A 93 7.495 -6.986 3.274 1.00 0.00 C ATOM 0 H MET A 93 3.089 -7.535 6.655 1.00 0.00 H new ATOM 0 HA MET A 93 4.897 -5.182 7.107 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.787 -6.338 4.557 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.825 -4.592 4.702 1.00 0.00 H new ATOM 0 HG2 MET A 93 5.975 -4.991 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.315 -4.994 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.273 -7.749 3.303 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.946 -7.063 2.336 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.952 -5.999 3.347 1.00 0.00 H new ATOM 1509 N LYS A 94 2.871 -3.716 7.484 1.00 0.00 N ATOM 1510 CA LYS A 94 1.648 -2.965 7.884 1.00 0.00 C ATOM 1511 C LYS A 94 1.932 -1.464 7.818 1.00 0.00 C ATOM 1512 O LYS A 94 2.765 -1.014 7.058 1.00 0.00 O ATOM 1513 CB LYS A 94 1.259 -3.346 9.317 1.00 0.00 C ATOM 1514 CG LYS A 94 1.665 -4.795 9.596 1.00 0.00 C ATOM 1515 CD LYS A 94 1.520 -5.090 11.090 1.00 0.00 C ATOM 1516 CE LYS A 94 1.758 -6.580 11.343 1.00 0.00 C ATOM 1517 NZ LYS A 94 3.182 -6.913 11.050 1.00 0.00 N ATOM 0 H LYS A 94 3.752 -3.228 7.644 1.00 0.00 H new ATOM 0 HA LYS A 94 0.830 -3.214 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.748 -2.678 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.185 -3.226 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.040 -5.476 9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.695 -4.962 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.234 -4.495 11.660 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.525 -4.807 11.432 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.521 -6.826 12.378 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.097 -7.177 10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.397 -7.865 11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.340 -6.888 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.803 -6.219 11.513 1.00 0.00 H new ATOM 1531 N LEU A 95 1.250 -0.687 8.613 1.00 0.00 N ATOM 1532 CA LEU A 95 1.487 0.782 8.601 1.00 0.00 C ATOM 1533 C LEU A 95 2.601 1.117 9.594 1.00 0.00 C ATOM 1534 O LEU A 95 2.545 2.107 10.297 1.00 0.00 O ATOM 1535 CB LEU A 95 0.202 1.511 9.006 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.261 2.408 7.857 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -1.683 2.019 7.445 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -0.245 3.869 8.314 1.00 0.00 C ATOM 0 H LEU A 95 0.539 -1.007 9.270 1.00 0.00 H new ATOM 0 HA LEU A 95 1.780 1.099 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.576 0.789 9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.377 2.109 9.900 1.00 0.00 H new ATOM 0 HG LEU A 95 0.410 2.284 7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.012 2.659 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.696 0.978 7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.355 2.143 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.575 4.510 7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.916 3.992 9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.767 4.147 8.607 1.00 0.00 H new ATOM 1550 N ARG A 96 3.613 0.294 9.659 1.00 0.00 N ATOM 1551 CA ARG A 96 4.729 0.558 10.609 1.00 0.00 C ATOM 1552 C ARG A 96 5.907 1.189 9.861 1.00 0.00 C ATOM 1553 O ARG A 96 6.972 1.375 10.415 1.00 0.00 O ATOM 1554 CB ARG A 96 5.180 -0.760 11.242 1.00 0.00 C ATOM 1555 CG ARG A 96 5.560 -0.521 12.705 1.00 0.00 C ATOM 1556 CD ARG A 96 4.372 0.092 13.448 1.00 0.00 C ATOM 1557 NE ARG A 96 4.493 -0.199 14.904 1.00 0.00 N ATOM 1558 CZ ARG A 96 3.770 0.463 15.765 1.00 0.00 C ATOM 1559 NH1 ARG A 96 2.716 1.119 15.362 1.00 0.00 N ATOM 1560 NH2 ARG A 96 4.099 0.469 17.027 1.00 0.00 N ATOM 0 H ARG A 96 3.714 -0.550 9.095 1.00 0.00 H new ATOM 0 HA ARG A 96 4.386 1.241 11.386 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.380 -1.498 11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.032 -1.165 10.696 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.850 -1.461 13.174 1.00 0.00 H new ATOM 0 HG3 ARG A 96 6.422 0.144 12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.343 1.169 13.283 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.438 -0.316 13.061 1.00 0.00 H new ATOM 0 HE ARG A 96 5.142 -0.916 15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.458 1.114 14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.150 1.637 16.034 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.922 -0.044 17.342 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.533 0.987 17.699 1.00 0.00 H new ATOM 1574 N TYR A 97 5.728 1.518 8.610 1.00 0.00 N ATOM 1575 CA TYR A 97 6.840 2.134 7.841 1.00 0.00 C ATOM 1576 C TYR A 97 6.434 3.543 7.394 1.00 0.00 C ATOM 1577 O TYR A 97 5.961 3.734 6.292 1.00 0.00 O ATOM 1578 CB TYR A 97 7.146 1.270 6.616 1.00 0.00 C ATOM 1579 CG TYR A 97 7.214 -0.181 7.028 1.00 0.00 C ATOM 1580 CD1 TYR A 97 8.037 -0.569 8.092 1.00 0.00 C ATOM 1581 CD2 TYR A 97 6.454 -1.139 6.344 1.00 0.00 C ATOM 1582 CE1 TYR A 97 8.099 -1.915 8.473 1.00 0.00 C ATOM 1583 CE2 TYR A 97 6.517 -2.484 6.726 1.00 0.00 C ATOM 1584 CZ TYR A 97 7.341 -2.872 7.790 1.00 0.00 C ATOM 1585 OH TYR A 97 7.403 -4.199 8.165 1.00 0.00 O ATOM 0 H TYR A 97 4.860 1.386 8.091 1.00 0.00 H new ATOM 0 HA TYR A 97 7.729 2.200 8.469 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.375 1.408 5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.091 1.577 6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.624 0.169 8.619 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.820 -0.840 5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.733 -2.215 9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.930 -3.223 6.200 1.00 0.00 H new ATOM 0 HH TYR A 97 7.591 -4.259 9.125 1.00 0.00 H new ATOM 1595 N PRO A 98 6.637 4.485 8.275 1.00 0.00 N ATOM 1596 CA PRO A 98 6.328 5.923 8.068 1.00 0.00 C ATOM 1597 C PRO A 98 7.437 6.578 7.238 1.00 0.00 C ATOM 1598 O PRO A 98 8.178 5.910 6.544 1.00 0.00 O ATOM 1599 CB PRO A 98 6.274 6.534 9.468 1.00 0.00 C ATOM 1600 CG PRO A 98 7.102 5.613 10.367 1.00 0.00 C ATOM 1601 CD PRO A 98 7.207 4.268 9.635 1.00 0.00 C ATOM 0 HA PRO A 98 5.391 6.070 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.680 7.546 9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.246 6.603 9.823 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.091 6.034 10.548 1.00 0.00 H new ATOM 0 HG3 PRO A 98 6.625 5.489 11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.244 3.939 9.574 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.657 3.492 10.167 1.00 0.00 H new ATOM 1609 N ILE A 99 7.561 7.876 7.302 1.00 0.00 N ATOM 1610 CA ILE A 99 8.625 8.561 6.517 1.00 0.00 C ATOM 1611 C ILE A 99 9.982 8.309 7.182 1.00 0.00 C ATOM 1612 O ILE A 99 10.062 7.720 8.242 1.00 0.00 O ATOM 1613 CB ILE A 99 8.339 10.064 6.480 1.00 0.00 C ATOM 1614 CG1 ILE A 99 9.224 10.728 5.422 1.00 0.00 C ATOM 1615 CG2 ILE A 99 8.635 10.679 7.849 1.00 0.00 C ATOM 1616 CD1 ILE A 99 8.565 12.024 4.944 1.00 0.00 C ATOM 0 H ILE A 99 6.972 8.490 7.864 1.00 0.00 H new ATOM 0 HA ILE A 99 8.642 8.172 5.499 1.00 0.00 H new ATOM 0 HB ILE A 99 7.290 10.224 6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.209 10.940 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 99 9.373 10.051 4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.430 11.749 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.003 10.210 8.603 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.683 10.517 8.102 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.195 12.496 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.590 11.799 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.439 12.701 5.789 1.00 0.00 H new ATOM 1628 N ASN A 100 11.049 8.743 6.569 1.00 0.00 N ATOM 1629 CA ASN A 100 12.395 8.517 7.169 1.00 0.00 C ATOM 1630 C ASN A 100 12.595 9.464 8.354 1.00 0.00 C ATOM 1631 O ASN A 100 12.088 10.569 8.373 1.00 0.00 O ATOM 1632 CB ASN A 100 13.474 8.783 6.116 1.00 0.00 C ATOM 1633 CG ASN A 100 13.990 7.451 5.569 1.00 0.00 C ATOM 1634 OD1 ASN A 100 13.833 7.158 4.401 1.00 0.00 O ATOM 1635 ND2 ASN A 100 14.606 6.625 6.371 1.00 0.00 N ATOM 0 H ASN A 100 11.048 9.243 5.680 1.00 0.00 H new ATOM 0 HA ASN A 100 12.469 7.486 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.066 9.388 5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.294 9.351 6.555 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.955 5.735 6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.738 6.870 7.352 1.00 0.00 H new ATOM 1642 N GLU A 101 13.330 9.039 9.345 1.00 0.00 N ATOM 1643 CA GLU A 101 13.561 9.910 10.532 1.00 0.00 C ATOM 1644 C GLU A 101 14.706 10.881 10.241 1.00 0.00 C ATOM 1645 O GLU A 101 15.858 10.597 10.505 1.00 0.00 O ATOM 1646 CB GLU A 101 13.925 9.042 11.739 1.00 0.00 C ATOM 1647 CG GLU A 101 12.645 8.555 12.423 1.00 0.00 C ATOM 1648 CD GLU A 101 12.992 7.459 13.433 1.00 0.00 C ATOM 1649 OE1 GLU A 101 13.935 7.650 14.184 1.00 0.00 O ATOM 1650 OE2 GLU A 101 12.308 6.450 13.439 1.00 0.00 O ATOM 0 H GLU A 101 13.781 8.125 9.384 1.00 0.00 H new ATOM 0 HA GLU A 101 12.654 10.474 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 101 14.526 8.190 11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.531 9.614 12.442 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.151 9.386 12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.946 8.171 11.680 1.00 0.00 H new ATOM 1657 N GLU A 102 14.400 12.029 9.700 1.00 0.00 N ATOM 1658 CA GLU A 102 15.468 13.018 9.396 1.00 0.00 C ATOM 1659 C GLU A 102 15.020 14.410 9.850 1.00 0.00 C ATOM 1660 O GLU A 102 15.811 15.205 10.318 1.00 0.00 O ATOM 1661 CB GLU A 102 15.740 13.034 7.890 1.00 0.00 C ATOM 1662 CG GLU A 102 16.966 13.902 7.602 1.00 0.00 C ATOM 1663 CD GLU A 102 17.649 13.416 6.323 1.00 0.00 C ATOM 1664 OE1 GLU A 102 16.999 13.417 5.290 1.00 0.00 O ATOM 1665 OE2 GLU A 102 18.810 13.052 6.396 1.00 0.00 O ATOM 0 H GLU A 102 13.454 12.323 9.456 1.00 0.00 H new ATOM 0 HA GLU A 102 16.380 12.740 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 102 15.907 12.019 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.872 13.423 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 102 16.668 14.945 7.494 1.00 0.00 H new ATOM 0 HG3 GLU A 102 17.663 13.855 8.439 1.00 0.00 H new ATOM 1672 N ASN A 103 13.756 14.711 9.717 1.00 0.00 N ATOM 1673 CA ASN A 103 13.260 16.050 10.141 1.00 0.00 C ATOM 1674 C ASN A 103 11.791 15.938 10.556 1.00 0.00 C ATOM 1675 O ASN A 103 10.966 16.745 10.175 1.00 0.00 O ATOM 1676 CB ASN A 103 13.388 17.034 8.978 1.00 0.00 C ATOM 1677 CG ASN A 103 13.765 18.416 9.517 1.00 0.00 C ATOM 1678 OD1 ASN A 103 14.563 18.529 10.426 1.00 0.00 O ATOM 1679 ND2 ASN A 103 13.219 19.478 8.992 1.00 0.00 N ATOM 0 H ASN A 103 13.046 14.087 9.333 1.00 0.00 H new ATOM 0 HA ASN A 103 13.851 16.408 10.984 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.146 16.687 8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.447 17.090 8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 103 13.462 20.404 9.345 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.549 19.383 8.229 1.00 0.00 H new ATOM 1686 N SER A 104 11.457 14.943 11.332 1.00 0.00 N ATOM 1687 CA SER A 104 10.042 14.782 11.769 1.00 0.00 C ATOM 1688 C SER A 104 10.002 14.469 13.266 1.00 0.00 C ATOM 1689 O SER A 104 9.389 13.511 13.694 1.00 0.00 O ATOM 1690 CB SER A 104 9.398 13.633 10.992 1.00 0.00 C ATOM 1691 OG SER A 104 10.149 12.443 11.204 1.00 0.00 O ATOM 0 H SER A 104 12.103 14.235 11.682 1.00 0.00 H new ATOM 0 HA SER A 104 9.495 15.705 11.576 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.368 13.490 11.319 1.00 0.00 H new ATOM 0 HB3 SER A 104 9.365 13.871 9.929 1.00 0.00 H new ATOM 0 HG SER A 104 9.738 11.704 10.709 1.00 0.00 H new ATOM 1697 N SER A 105 10.649 15.270 14.067 1.00 0.00 N ATOM 1698 CA SER A 105 10.647 15.018 15.536 1.00 0.00 C ATOM 1699 C SER A 105 10.638 16.353 16.283 1.00 0.00 C ATOM 1700 O SER A 105 11.612 17.079 16.173 1.00 0.00 O ATOM 1701 CB SER A 105 11.898 14.228 15.920 1.00 0.00 C ATOM 1702 OG SER A 105 13.035 14.825 15.310 1.00 0.00 O ATOM 1703 OXT SER A 105 9.656 16.627 16.953 1.00 0.00 O ATOM 0 H SER A 105 11.179 16.088 13.768 1.00 0.00 H new ATOM 0 HA SER A 105 9.759 14.445 15.804 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.016 14.216 17.003 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.801 13.191 15.598 1.00 0.00 H new ATOM 0 HG SER A 105 12.976 15.800 15.392 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 11.947 -12.379 -9.721 1.00 0.00 N ATOM 1711 CA ASP B 1 11.013 -11.241 -9.955 1.00 0.00 C ATOM 1712 C ASP B 1 10.125 -11.049 -8.722 1.00 0.00 C ATOM 1713 O ASP B 1 9.710 -12.001 -8.092 1.00 0.00 O ATOM 1714 CB ASP B 1 10.135 -11.542 -11.172 1.00 0.00 C ATOM 1715 CG ASP B 1 10.934 -12.360 -12.189 1.00 0.00 C ATOM 1716 OD1 ASP B 1 10.989 -13.569 -12.035 1.00 0.00 O ATOM 1717 OD2 ASP B 1 11.476 -11.763 -13.105 1.00 0.00 O ATOM 0 H1 ASP B 1 12.835 -12.211 -10.235 1.00 0.00 H new ATOM 0 H2 ASP B 1 12.146 -12.461 -8.704 1.00 0.00 H new ATOM 0 H3 ASP B 1 11.512 -13.261 -10.061 1.00 0.00 H new ATOM 0 HA ASP B 1 11.587 -10.332 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP B 1 9.246 -12.093 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP B 1 9.793 -10.612 -11.626 1.00 0.00 H new ATOM 1724 N ASN B 2 9.831 -9.826 -8.374 1.00 0.00 N ATOM 1725 CA ASN B 2 8.971 -9.579 -7.183 1.00 0.00 C ATOM 1726 C ASN B 2 8.638 -8.088 -7.090 1.00 0.00 C ATOM 1727 O ASN B 2 9.238 -7.354 -6.329 1.00 0.00 O ATOM 1728 CB ASN B 2 9.712 -10.017 -5.918 1.00 0.00 C ATOM 1729 CG ASN B 2 11.189 -9.634 -6.031 1.00 0.00 C ATOM 1730 OD1 ASN B 2 11.523 -8.627 -6.624 1.00 0.00 O ATOM 1731 ND2 ASN B 2 12.094 -10.399 -5.485 1.00 0.00 N ATOM 0 H ASN B 2 10.149 -8.989 -8.862 1.00 0.00 H new ATOM 0 HA ASN B 2 8.048 -10.150 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN B 2 9.269 -9.543 -5.042 1.00 0.00 H new ATOM 0 HB3 ASN B 2 9.614 -11.094 -5.781 1.00 0.00 H new ATOM 0 HD21 ASN B 2 13.081 -10.152 -5.556 1.00 0.00 H new ATOM 0 HD22 ASN B 2 11.814 -11.244 -4.987 1.00 0.00 H new ATOM 1738 N ASP B 3 7.684 -7.636 -7.856 1.00 0.00 N ATOM 1739 CA ASP B 3 7.309 -6.194 -7.812 1.00 0.00 C ATOM 1740 C ASP B 3 5.787 -6.074 -7.701 1.00 0.00 C ATOM 1741 O ASP B 3 5.164 -5.282 -8.378 1.00 0.00 O ATOM 1742 CB ASP B 3 7.795 -5.500 -9.087 1.00 0.00 C ATOM 1743 CG ASP B 3 8.953 -4.560 -8.745 1.00 0.00 C ATOM 1744 OD1 ASP B 3 8.817 -3.803 -7.798 1.00 0.00 O ATOM 1745 OD2 ASP B 3 9.958 -4.614 -9.436 1.00 0.00 O ATOM 0 H ASP B 3 7.147 -8.204 -8.512 1.00 0.00 H new ATOM 0 HA ASP B 3 7.774 -5.718 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP B 3 8.118 -6.242 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP B 3 6.979 -4.939 -9.542 1.00 0.00 H new HETATM 1750 N PTR B 4 5.193 -6.859 -6.844 1.00 0.00 N HETATM 1751 CA PTR B 4 3.710 -6.813 -6.667 1.00 0.00 C HETATM 1752 C PTR B 4 3.268 -8.039 -5.858 1.00 0.00 C HETATM 1753 O PTR B 4 2.578 -8.907 -6.353 1.00 0.00 O HETATM 1754 CB PTR B 4 3.022 -6.837 -8.037 1.00 0.00 C HETATM 1755 CG PTR B 4 2.528 -5.452 -8.403 1.00 0.00 C HETATM 1756 CD1 PTR B 4 1.973 -4.616 -7.425 1.00 0.00 C HETATM 1757 CD2 PTR B 4 2.622 -5.008 -9.729 1.00 0.00 C HETATM 1758 CE1 PTR B 4 1.516 -3.338 -7.775 1.00 0.00 C HETATM 1759 CE2 PTR B 4 2.165 -3.733 -10.076 1.00 0.00 C HETATM 1760 CZ PTR B 4 1.613 -2.898 -9.100 1.00 0.00 C HETATM 1761 OH PTR B 4 1.143 -1.584 -9.459 1.00 0.00 O HETATM 1762 P PTR B 4 0.635 -1.275 -10.977 1.00 0.00 P HETATM 1763 O1P PTR B 4 -0.287 -0.073 -10.867 1.00 0.00 O HETATM 1764 O2P PTR B 4 1.891 -0.984 -11.781 1.00 0.00 O HETATM 1765 O3P PTR B 4 -0.083 -2.533 -11.437 1.00 0.00 O HETATM 0 HE2 PTR B 4 2.239 -3.390 -11.108 1.00 0.00 H new HETATM 0 HE1 PTR B 4 1.085 -2.687 -7.015 1.00 0.00 H new HETATM 0 HD2 PTR B 4 3.052 -5.658 -10.491 1.00 0.00 H new HETATM 0 HD1 PTR B 4 1.897 -4.959 -6.393 1.00 0.00 H new HETATM 0 HB3 PTR B 4 3.719 -7.194 -8.795 1.00 0.00 H new HETATM 0 HB2 PTR B 4 2.186 -7.536 -8.019 1.00 0.00 H new HETATM 0 HA PTR B 4 3.434 -5.898 -6.143 1.00 0.00 H new HETATM 0 H PTR B 4 5.730 -7.630 -6.448 1.00 0.00 H new ATOM 1774 N ILE B 5 3.675 -8.124 -4.620 1.00 0.00 N ATOM 1775 CA ILE B 5 3.296 -9.300 -3.782 1.00 0.00 C ATOM 1776 C ILE B 5 1.807 -9.237 -3.416 1.00 0.00 C ATOM 1777 O ILE B 5 1.321 -8.237 -2.923 1.00 0.00 O ATOM 1778 CB ILE B 5 4.160 -9.322 -2.504 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.491 -8.521 -1.377 1.00 0.00 C ATOM 1780 CG2 ILE B 5 5.528 -8.708 -2.799 1.00 0.00 C ATOM 1781 CD1 ILE B 5 3.414 -7.046 -1.773 1.00 0.00 C ATOM 0 H ILE B 5 4.255 -7.428 -4.151 1.00 0.00 H new ATOM 0 HA ILE B 5 3.472 -10.214 -4.349 1.00 0.00 H new ATOM 0 HB ILE B 5 4.271 -10.359 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE B 5 2.491 -8.909 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE B 5 4.058 -8.631 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE B 5 6.137 -8.724 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE B 5 6.024 -9.283 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE B 5 5.400 -7.678 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.939 -6.479 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE B 5 4.420 -6.662 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE B 5 2.828 -6.945 -2.687 1.00 0.00 H new ATOM 1793 N ILE B 6 1.084 -10.302 -3.630 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.358 -10.298 -3.263 1.00 0.00 C ATOM 1795 C ILE B 6 -0.449 -10.116 -1.749 1.00 0.00 C ATOM 1796 O ILE B 6 0.277 -10.752 -1.015 1.00 0.00 O ATOM 1797 CB ILE B 6 -0.998 -11.628 -3.664 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -0.957 -11.773 -5.188 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.451 -11.659 -3.189 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -0.242 -13.074 -5.557 1.00 0.00 C ATOM 0 H ILE B 6 1.428 -11.170 -4.041 1.00 0.00 H new ATOM 0 HA ILE B 6 -0.883 -9.493 -3.778 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.448 -12.449 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -1.970 -11.775 -5.591 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -0.439 -10.922 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -2.907 -12.607 -3.475 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.482 -11.554 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.002 -10.838 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -0.212 -13.178 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE B 6 0.775 -13.053 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -0.779 -13.919 -5.126 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.316 -9.241 -1.325 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.529 -8.900 0.106 1.00 0.00 C ATOM 1814 C PRO B 7 -2.324 -9.997 0.817 1.00 0.00 C ATOM 1815 O PRO B 7 -3.534 -10.063 0.731 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.299 -7.584 0.104 1.00 0.00 C ATOM 1817 CG PRO B 7 -2.996 -7.500 -1.257 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.236 -8.452 -2.191 1.00 0.00 C ATOM 0 HA PRO B 7 -0.584 -8.811 0.642 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.026 -7.557 0.916 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -1.626 -6.739 0.250 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.044 -7.790 -1.176 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -2.976 -6.480 -1.642 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -2.926 -9.107 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -1.679 -7.895 -2.944 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.642 -10.853 1.528 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.334 -11.948 2.263 1.00 0.00 C ATOM 1828 C LEU B 8 -1.494 -12.325 3.486 1.00 0.00 C ATOM 1829 O LEU B 8 -0.281 -12.293 3.437 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.485 -13.170 1.350 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.274 -12.787 0.096 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -3.275 -13.961 -0.884 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -4.716 -12.445 0.479 1.00 0.00 C ATOM 0 H LEU B 8 -0.627 -10.840 1.631 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.323 -11.615 2.577 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.502 -13.550 1.070 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -2.997 -13.972 1.882 1.00 0.00 H new ATOM 0 HG LEU B 8 -2.808 -11.920 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -3.837 -13.689 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -2.249 -14.205 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -3.740 -14.827 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -5.275 -12.173 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -5.183 -13.311 0.949 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -4.718 -11.608 1.177 1.00 0.00 H new ATOM 1845 N PRO B 9 -2.170 -12.668 4.549 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.560 -13.066 5.845 1.00 0.00 C ATOM 1847 C PRO B 9 -1.054 -14.507 5.768 1.00 0.00 C ATOM 1848 O PRO B 9 -1.776 -15.409 5.390 1.00 0.00 O ATOM 1849 CB PRO B 9 -2.678 -12.947 6.878 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.991 -13.052 6.096 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.655 -12.719 4.635 1.00 0.00 C ATOM 0 HA PRO B 9 -0.707 -12.439 6.103 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.605 -13.738 7.625 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.617 -11.998 7.411 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -4.413 -14.054 6.179 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.734 -12.359 6.491 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -4.058 -13.475 3.961 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -4.094 -11.765 4.343 1.00 0.00 H new ATOM 1859 N ASP B 10 0.183 -14.727 6.122 1.00 0.00 N ATOM 1860 CA ASP B 10 0.743 -16.107 6.068 1.00 0.00 C ATOM 1861 C ASP B 10 0.429 -16.728 4.705 1.00 0.00 C ATOM 1862 O ASP B 10 -0.337 -17.666 4.609 1.00 0.00 O ATOM 1863 CB ASP B 10 0.119 -16.959 7.177 1.00 0.00 C ATOM 1864 CG ASP B 10 1.173 -17.915 7.739 1.00 0.00 C ATOM 1865 OD1 ASP B 10 2.106 -17.436 8.363 1.00 0.00 O ATOM 1866 OD2 ASP B 10 1.030 -19.109 7.536 1.00 0.00 O ATOM 0 H ASP B 10 0.831 -14.009 6.447 1.00 0.00 H new ATOM 0 HA ASP B 10 1.823 -16.068 6.210 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.266 -16.318 7.970 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.727 -17.523 6.785 1.00 0.00 H new ATOM 1871 N PRO B 11 1.035 -16.174 3.691 1.00 0.00 N ATOM 1872 CA PRO B 11 0.885 -16.600 2.276 1.00 0.00 C ATOM 1873 C PRO B 11 1.718 -17.855 2.011 1.00 0.00 C ATOM 1874 O PRO B 11 2.760 -17.801 1.388 1.00 0.00 O ATOM 1875 CB PRO B 11 1.398 -15.430 1.439 1.00 0.00 C ATOM 1876 CG PRO B 11 2.338 -14.634 2.351 1.00 0.00 C ATOM 1877 CD PRO B 11 1.979 -15.025 3.791 1.00 0.00 C ATOM 0 HA PRO B 11 -0.149 -16.845 2.032 1.00 0.00 H new ATOM 0 HB2 PRO B 11 1.924 -15.786 0.553 1.00 0.00 H new ATOM 0 HB3 PRO B 11 0.573 -14.808 1.092 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.380 -14.868 2.133 1.00 0.00 H new ATOM 0 HG3 PRO B 11 2.213 -13.562 2.197 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.871 -15.303 4.352 1.00 0.00 H new ATOM 0 HD3 PRO B 11 1.519 -14.189 4.317 1.00 0.00 H new ATOM 1885 N LYS B 12 1.267 -18.986 2.480 1.00 0.00 N ATOM 1886 CA LYS B 12 2.033 -20.245 2.255 1.00 0.00 C ATOM 1887 C LYS B 12 1.518 -20.935 0.991 1.00 0.00 C ATOM 1888 O LYS B 12 2.233 -20.926 0.003 1.00 0.00 O ATOM 1889 CB LYS B 12 1.846 -21.174 3.456 1.00 0.00 C ATOM 1890 CG LYS B 12 3.210 -21.492 4.073 1.00 0.00 C ATOM 1891 CD LYS B 12 3.024 -22.423 5.272 1.00 0.00 C ATOM 1892 CE LYS B 12 4.364 -23.066 5.633 1.00 0.00 C ATOM 1893 NZ LYS B 12 4.654 -24.177 4.683 1.00 0.00 N ATOM 1894 OXT LYS B 12 0.418 -21.460 1.033 1.00 0.00 O ATOM 0 H LYS B 12 0.402 -19.093 3.009 1.00 0.00 H new ATOM 0 HA LYS B 12 3.091 -20.012 2.136 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.201 -20.702 4.197 1.00 0.00 H new ATOM 0 HB3 LYS B 12 1.353 -22.095 3.144 1.00 0.00 H new ATOM 0 HG2 LYS B 12 3.856 -21.962 3.331 1.00 0.00 H new ATOM 0 HG3 LYS B 12 3.702 -20.572 4.387 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.636 -21.864 6.123 1.00 0.00 H new ATOM 0 HD3 LYS B 12 2.290 -23.194 5.037 1.00 0.00 H new ATOM 0 HE2 LYS B 12 5.159 -22.322 5.592 1.00 0.00 H new ATOM 0 HE3 LYS B 12 4.334 -23.445 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 5.405 -24.781 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.794 -24.744 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.966 -23.783 3.772 1.00 0.00 H new TER 1908 LYS B 12