USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 SER OG : rot 38:sc= -1.24! USER MOD Set 1.2: A 87 THR OG1 : rot 73:sc= 2.15 USER MOD Set 2.1: A 46 LYS NZ :NH3+ -172:sc= 0.0904 (180deg=-0.21) USER MOD Set 2.2: A 69 ASN : amide:sc= -0.244 K(o=-0.15,f=-5.1!) USER MOD Single : A 15 GLN : amide:sc= -0.506 K(o=-0.51,f=-5.5!) USER MOD Single : A 18 ASN : amide:sc= 0.852 K(o=0.85,f=-0.22) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0158) USER MOD Single : A 29 SER OG : rot 70:sc= 0.146 USER MOD Single : A 34 MET CE :methyl 138:sc= -3.99! (180deg=-9.93!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0.00345 (180deg=0) USER MOD Single : A 59 TYR OH : rot -137:sc= -3.36! USER MOD Single : A 60 SER OG : rot 40:sc= 0.534 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -105:sc= 0.162 USER MOD Single : A 67 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.388) USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.0354 USER MOD Single : A 78 THR OG1 : rot 63:sc= 0.118 USER MOD Single : A 79 GLN : amide:sc= 0.021 X(o=0.021,f=0) USER MOD Single : A 80 TYR OH : rot 170:sc= 0.00135 USER MOD Single : A 81 ASN : amide:sc= -4.8! C(o=-4.8!,f=-7.8!) USER MOD Single : A 92 LYS NZ :NH3+ -113:sc= -1.26 (180deg=-2.99!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -1.46 (180deg=-1.76!) USER MOD Single : A 99 SER OG : rot 160:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 110 THR OG1 : rot 73:sc= 0.543 USER MOD Single : A 112 SER OG : rot 110:sc= -0.954 USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.265) USER MOD Single : A 116 TYR OH : rot 0:sc= -2.84! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.188 -1.891 -9.492 1.00 0.00 N ATOM 2 CA VAL A 14 -3.251 -1.136 -8.788 1.00 0.00 C ATOM 3 C VAL A 14 -4.466 -0.768 -9.664 1.00 0.00 C ATOM 4 O VAL A 14 -5.582 -1.108 -9.293 1.00 0.00 O ATOM 5 CB VAL A 14 -2.692 0.071 -8.009 1.00 0.00 C ATOM 6 CG1 VAL A 14 -2.041 1.154 -8.868 1.00 0.00 C ATOM 7 CG2 VAL A 14 -3.761 0.661 -7.087 1.00 0.00 C ATOM 0 HA VAL A 14 -3.650 -1.835 -8.054 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.874 -0.330 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.680 1.959 -8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.204 0.726 -9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.774 1.551 -9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.346 1.512 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.613 0.990 -7.682 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.086 -0.098 -6.375 1.00 0.00 H new ATOM 17 N GLN A 15 -4.222 -0.022 -10.746 1.00 0.00 N ATOM 18 CA GLN A 15 -5.254 0.546 -11.651 1.00 0.00 C ATOM 19 C GLN A 15 -6.498 1.044 -10.882 1.00 0.00 C ATOM 20 O GLN A 15 -7.647 0.874 -11.284 1.00 0.00 O ATOM 21 CB GLN A 15 -5.568 -0.374 -12.847 1.00 0.00 C ATOM 22 CG GLN A 15 -5.806 -1.858 -12.555 1.00 0.00 C ATOM 23 CD GLN A 15 -4.522 -2.707 -12.505 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.447 -2.351 -12.023 1.00 0.00 O ATOM 25 NE2 GLN A 15 -4.578 -3.887 -13.067 1.00 0.00 N ATOM 0 H GLN A 15 -3.273 0.217 -11.035 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.826 1.441 -12.102 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.454 0.016 -13.348 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.742 -0.299 -13.555 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.326 -1.950 -11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.468 -2.265 -13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.452 -4.216 -13.477 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.747 -4.478 -13.095 1.00 0.00 H new ATOM 34 N ASP A 16 -6.166 1.911 -9.919 1.00 0.00 N ATOM 35 CA ASP A 16 -7.058 2.408 -8.840 1.00 0.00 C ATOM 36 C ASP A 16 -7.857 1.267 -8.191 1.00 0.00 C ATOM 37 O ASP A 16 -8.950 0.918 -8.635 1.00 0.00 O ATOM 38 CB ASP A 16 -8.068 3.476 -9.297 1.00 0.00 C ATOM 39 CG ASP A 16 -7.573 4.490 -10.323 1.00 0.00 C ATOM 40 OD1 ASP A 16 -6.412 4.953 -10.221 1.00 0.00 O ATOM 41 OD2 ASP A 16 -8.400 4.838 -11.201 1.00 0.00 O ATOM 0 H ASP A 16 -5.229 2.309 -9.859 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.373 2.864 -8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.937 2.967 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.409 4.021 -8.417 1.00 0.00 H new ATOM 47 N VAL A 17 -7.325 0.743 -7.085 1.00 0.00 N ATOM 48 CA VAL A 17 -7.982 -0.371 -6.364 1.00 0.00 C ATOM 49 C VAL A 17 -9.168 0.061 -5.468 1.00 0.00 C ATOM 50 O VAL A 17 -9.135 -0.006 -4.234 1.00 0.00 O ATOM 51 CB VAL A 17 -6.910 -1.251 -5.698 1.00 0.00 C ATOM 52 CG1 VAL A 17 -6.111 -0.540 -4.590 1.00 0.00 C ATOM 53 CG2 VAL A 17 -7.484 -2.574 -5.226 1.00 0.00 C ATOM 0 H VAL A 17 -6.451 1.061 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.497 -1.004 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.182 -1.463 -6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.377 -1.229 -4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.599 0.326 -5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.791 -0.214 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.696 -3.167 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.275 -2.389 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.893 -3.118 -6.078 1.00 0.00 H new ATOM 63 N ASN A 18 -10.205 0.550 -6.136 1.00 0.00 N ATOM 64 CA ASN A 18 -11.478 1.001 -5.546 1.00 0.00 C ATOM 65 C ASN A 18 -12.225 -0.127 -4.832 1.00 0.00 C ATOM 66 O ASN A 18 -12.009 -1.307 -5.103 1.00 0.00 O ATOM 67 CB ASN A 18 -12.370 1.548 -6.658 1.00 0.00 C ATOM 68 CG ASN A 18 -11.786 2.811 -7.300 1.00 0.00 C ATOM 69 OD1 ASN A 18 -11.283 3.715 -6.659 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.774 2.822 -8.608 1.00 0.00 N ATOM 0 H ASN A 18 -10.190 0.651 -7.151 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.245 1.767 -4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.505 0.783 -7.423 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -13.357 1.771 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.338 3.597 -9.108 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.201 2.055 -9.128 1.00 0.00 H new ATOM 77 N ASP A 19 -13.221 0.300 -4.069 1.00 0.00 N ATOM 78 CA ASP A 19 -14.165 -0.595 -3.342 1.00 0.00 C ATOM 79 C ASP A 19 -14.637 -1.785 -4.178 1.00 0.00 C ATOM 80 O ASP A 19 -14.668 -2.913 -3.692 1.00 0.00 O ATOM 81 CB ASP A 19 -15.506 0.062 -2.957 1.00 0.00 C ATOM 82 CG ASP A 19 -15.406 1.130 -1.884 1.00 0.00 C ATOM 83 OD1 ASP A 19 -16.048 0.951 -0.835 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.738 2.138 -2.184 1.00 0.00 O ATOM 0 H ASP A 19 -13.415 1.291 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.563 -0.869 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.948 0.504 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.190 -0.715 -2.614 1.00 0.00 H new ATOM 90 N SER A 20 -14.994 -1.491 -5.434 1.00 0.00 N ATOM 91 CA SER A 20 -15.563 -2.475 -6.374 1.00 0.00 C ATOM 92 C SER A 20 -14.686 -3.721 -6.552 1.00 0.00 C ATOM 93 O SER A 20 -15.192 -4.843 -6.486 1.00 0.00 O ATOM 94 CB SER A 20 -15.805 -1.785 -7.716 1.00 0.00 C ATOM 95 OG SER A 20 -14.615 -1.102 -8.143 1.00 0.00 O ATOM 0 H SER A 20 -14.897 -0.557 -5.833 1.00 0.00 H new ATOM 0 HA SER A 20 -16.502 -2.835 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.099 -2.521 -8.464 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.628 -1.076 -7.626 1.00 0.00 H new ATOM 0 HG SER A 20 -14.780 -0.665 -9.004 1.00 0.00 H new ATOM 101 N SER A 21 -13.368 -3.519 -6.647 1.00 0.00 N ATOM 102 CA SER A 21 -12.398 -4.612 -6.769 1.00 0.00 C ATOM 103 C SER A 21 -11.742 -5.063 -5.460 1.00 0.00 C ATOM 104 O SER A 21 -11.496 -6.263 -5.308 1.00 0.00 O ATOM 105 CB SER A 21 -11.299 -4.246 -7.771 1.00 0.00 C ATOM 106 OG SER A 21 -10.937 -2.864 -7.597 1.00 0.00 O ATOM 0 H SER A 21 -12.943 -2.592 -6.641 1.00 0.00 H new ATOM 0 HA SER A 21 -12.992 -5.458 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.428 -4.884 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.648 -4.417 -8.789 1.00 0.00 H new ATOM 0 HG SER A 21 -10.233 -2.627 -8.236 1.00 0.00 H new ATOM 112 N TRP A 22 -11.689 -4.184 -4.471 1.00 0.00 N ATOM 113 CA TRP A 22 -10.928 -4.374 -3.214 1.00 0.00 C ATOM 114 C TRP A 22 -11.058 -5.758 -2.552 1.00 0.00 C ATOM 115 O TRP A 22 -10.069 -6.476 -2.413 1.00 0.00 O ATOM 116 CB TRP A 22 -11.334 -3.242 -2.269 1.00 0.00 C ATOM 117 CG TRP A 22 -10.479 -3.200 -0.998 1.00 0.00 C ATOM 118 CD1 TRP A 22 -10.722 -3.893 0.112 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.332 -2.438 -0.775 1.00 0.00 C ATOM 120 NE1 TRP A 22 -9.798 -3.630 1.025 1.00 0.00 N ATOM 121 CE2 TRP A 22 -8.918 -2.774 0.529 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.592 -1.523 -1.551 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -7.730 -2.219 1.057 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.408 -0.978 -1.032 1.00 0.00 C ATOM 125 CH2 TRP A 22 -6.974 -1.341 0.271 1.00 0.00 C ATOM 0 H TRP A 22 -12.181 -3.291 -4.507 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.867 -4.336 -3.459 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.249 -2.289 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.382 -3.362 -1.994 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -11.551 -4.571 0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.769 -4.026 1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.934 -1.244 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.409 -2.470 2.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.828 -0.284 -1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.051 -0.936 0.659 1.00 0.00 H new ATOM 136 N LYS A 23 -12.288 -6.242 -2.407 1.00 0.00 N ATOM 137 CA LYS A 23 -12.553 -7.525 -1.691 1.00 0.00 C ATOM 138 C LYS A 23 -12.175 -8.828 -2.390 1.00 0.00 C ATOM 139 O LYS A 23 -12.240 -9.918 -1.824 1.00 0.00 O ATOM 140 CB LYS A 23 -13.989 -7.529 -1.193 1.00 0.00 C ATOM 141 CG LYS A 23 -13.975 -6.422 -0.161 1.00 0.00 C ATOM 142 CD LYS A 23 -15.358 -6.141 0.355 1.00 0.00 C ATOM 143 CE LYS A 23 -15.203 -5.003 1.344 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.536 -5.030 1.901 1.00 0.00 N ATOM 0 H LYS A 23 -13.124 -5.782 -2.767 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.846 -7.529 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.698 -7.328 -1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.265 -8.489 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.325 -6.702 0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.558 -5.516 -0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.030 -5.865 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.783 -7.022 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.428 -5.190 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.962 -4.054 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.646 -4.248 2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.234 -4.927 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.689 -5.935 2.391 1.00 0.00 H new ATOM 158 N GLU A 24 -11.686 -8.636 -3.605 1.00 0.00 N ATOM 159 CA GLU A 24 -11.142 -9.690 -4.472 1.00 0.00 C ATOM 160 C GLU A 24 -9.667 -9.359 -4.757 1.00 0.00 C ATOM 161 O GLU A 24 -8.784 -9.874 -4.069 1.00 0.00 O ATOM 162 CB GLU A 24 -11.916 -9.822 -5.804 1.00 0.00 C ATOM 163 CG GLU A 24 -13.267 -9.104 -5.819 1.00 0.00 C ATOM 164 CD GLU A 24 -13.979 -9.183 -7.168 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.384 -8.708 -8.162 1.00 0.00 O ATOM 166 OE2 GLU A 24 -15.143 -9.636 -7.148 1.00 0.00 O ATOM 0 H GLU A 24 -11.652 -7.713 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.241 -10.646 -3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.298 -9.427 -6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.077 -10.879 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.909 -9.537 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.117 -8.057 -5.556 1.00 0.00 H new ATOM 174 N PHE A 25 -9.473 -8.187 -5.339 1.00 0.00 N ATOM 175 CA PHE A 25 -8.173 -7.719 -5.865 1.00 0.00 C ATOM 176 C PHE A 25 -7.177 -7.154 -4.833 1.00 0.00 C ATOM 177 O PHE A 25 -6.171 -6.553 -5.178 1.00 0.00 O ATOM 178 CB PHE A 25 -8.531 -6.727 -6.974 1.00 0.00 C ATOM 179 CG PHE A 25 -7.355 -6.312 -7.876 1.00 0.00 C ATOM 180 CD1 PHE A 25 -6.664 -7.267 -8.656 1.00 0.00 C ATOM 181 CD2 PHE A 25 -7.139 -4.927 -8.052 1.00 0.00 C ATOM 182 CE1 PHE A 25 -5.764 -6.827 -9.647 1.00 0.00 C ATOM 183 CE2 PHE A 25 -6.239 -4.487 -9.043 1.00 0.00 C ATOM 184 CZ PHE A 25 -5.568 -5.443 -9.836 1.00 0.00 C ATOM 0 H PHE A 25 -10.224 -7.509 -5.469 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.602 -8.572 -6.232 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -9.310 -7.166 -7.597 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.954 -5.832 -6.518 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.824 -8.323 -8.494 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.659 -4.212 -7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.230 -7.542 -10.255 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.065 -3.432 -9.194 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.889 -5.107 -10.605 1.00 0.00 H new ATOM 194 N VAL A 26 -7.574 -7.254 -3.568 1.00 0.00 N ATOM 195 CA VAL A 26 -6.749 -6.984 -2.368 1.00 0.00 C ATOM 196 C VAL A 26 -6.996 -8.152 -1.409 1.00 0.00 C ATOM 197 O VAL A 26 -6.203 -9.101 -1.391 1.00 0.00 O ATOM 198 CB VAL A 26 -7.019 -5.594 -1.730 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.482 -5.433 -0.308 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.400 -4.501 -2.585 1.00 0.00 C ATOM 0 H VAL A 26 -8.523 -7.538 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.694 -6.925 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.105 -5.512 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.715 -4.433 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.946 -6.175 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.401 -5.576 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.594 -3.530 -2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.324 -4.660 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.837 -4.528 -3.583 1.00 0.00 H new ATOM 210 N LEU A 27 -8.235 -8.257 -0.935 1.00 0.00 N ATOM 211 CA LEU A 27 -8.567 -9.227 0.130 1.00 0.00 C ATOM 212 C LEU A 27 -8.495 -10.711 -0.268 1.00 0.00 C ATOM 213 O LEU A 27 -8.217 -11.559 0.578 1.00 0.00 O ATOM 214 CB LEU A 27 -9.882 -8.842 0.815 1.00 0.00 C ATOM 215 CG LEU A 27 -9.836 -7.427 1.421 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.161 -7.130 2.116 1.00 0.00 C ATOM 217 CD2 LEU A 27 -8.698 -7.208 2.421 1.00 0.00 C ATOM 0 H LEU A 27 -9.022 -7.696 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.761 -9.148 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.695 -8.898 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.104 -9.564 1.601 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.655 -6.749 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.130 -6.129 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.973 -7.189 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.328 -7.860 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.738 -6.187 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.803 -7.907 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.741 -7.374 1.926 1.00 0.00 H new ATOM 229 N GLU A 28 -8.655 -11.007 -1.561 1.00 0.00 N ATOM 230 CA GLU A 28 -8.540 -12.384 -2.095 1.00 0.00 C ATOM 231 C GLU A 28 -7.521 -12.408 -3.258 1.00 0.00 C ATOM 232 O GLU A 28 -7.819 -12.638 -4.428 1.00 0.00 O ATOM 233 CB GLU A 28 -9.890 -12.899 -2.600 1.00 0.00 C ATOM 234 CG GLU A 28 -10.982 -12.977 -1.535 1.00 0.00 C ATOM 235 CD GLU A 28 -12.278 -13.546 -2.145 1.00 0.00 C ATOM 236 OE1 GLU A 28 -12.620 -13.155 -3.278 1.00 0.00 O ATOM 237 OE2 GLU A 28 -12.872 -14.407 -1.469 1.00 0.00 O ATOM 0 H GLU A 28 -8.867 -10.307 -2.272 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.203 -13.032 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.233 -12.250 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.748 -13.891 -3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.652 -13.608 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.170 -11.986 -1.122 1.00 0.00 H new ATOM 245 N SER A 29 -6.294 -12.089 -2.884 1.00 0.00 N ATOM 246 CA SER A 29 -5.175 -11.997 -3.836 1.00 0.00 C ATOM 247 C SER A 29 -3.949 -12.815 -3.416 1.00 0.00 C ATOM 248 O SER A 29 -4.087 -13.986 -3.035 1.00 0.00 O ATOM 249 CB SER A 29 -4.907 -10.512 -4.145 1.00 0.00 C ATOM 250 OG SER A 29 -5.810 -10.074 -5.158 1.00 0.00 O ATOM 0 H SER A 29 -6.035 -11.885 -1.919 1.00 0.00 H new ATOM 0 HA SER A 29 -5.454 -12.476 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.034 -9.912 -3.244 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.877 -10.377 -4.476 1.00 0.00 H new ATOM 0 HG SER A 29 -6.719 -10.041 -4.794 1.00 0.00 H new ATOM 256 N GLU A 30 -2.770 -12.213 -3.503 1.00 0.00 N ATOM 257 CA GLU A 30 -1.487 -12.801 -3.072 1.00 0.00 C ATOM 258 C GLU A 30 -1.318 -12.464 -1.581 1.00 0.00 C ATOM 259 O GLU A 30 -0.850 -11.397 -1.192 1.00 0.00 O ATOM 260 CB GLU A 30 -0.418 -12.192 -3.982 1.00 0.00 C ATOM 261 CG GLU A 30 0.876 -12.999 -4.004 1.00 0.00 C ATOM 262 CD GLU A 30 1.831 -12.488 -5.079 1.00 0.00 C ATOM 263 OE1 GLU A 30 2.821 -11.814 -4.707 1.00 0.00 O ATOM 264 OE2 GLU A 30 1.563 -12.790 -6.258 1.00 0.00 O ATOM 0 H GLU A 30 -2.666 -11.273 -3.886 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.422 -13.885 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.811 -12.118 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.201 -11.177 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.359 -12.942 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.649 -14.049 -4.186 1.00 0.00 H new ATOM 272 N VAL A 31 -2.274 -13.148 -0.950 1.00 0.00 N ATOM 273 CA VAL A 31 -2.678 -13.190 0.476 1.00 0.00 C ATOM 274 C VAL A 31 -2.090 -12.224 1.527 1.00 0.00 C ATOM 275 O VAL A 31 -2.916 -11.477 2.054 1.00 0.00 O ATOM 276 CB VAL A 31 -3.037 -14.607 0.966 1.00 0.00 C ATOM 277 CG1 VAL A 31 -4.398 -14.992 0.396 1.00 0.00 C ATOM 278 CG2 VAL A 31 -1.992 -15.688 0.641 1.00 0.00 C ATOM 0 H VAL A 31 -2.869 -13.773 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.598 -12.610 0.395 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.061 -14.563 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.664 -15.993 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.150 -14.281 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.354 -14.978 -0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.332 -16.650 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.861 -15.754 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.042 -15.427 1.107 1.00 0.00 H new ATOM 288 N PRO A 32 -0.763 -12.138 1.794 1.00 0.00 N ATOM 289 CA PRO A 32 -0.202 -11.105 2.700 1.00 0.00 C ATOM 290 C PRO A 32 -0.150 -9.721 2.018 1.00 0.00 C ATOM 291 O PRO A 32 0.807 -8.959 2.135 1.00 0.00 O ATOM 292 CB PRO A 32 1.206 -11.575 3.033 1.00 0.00 C ATOM 293 CG PRO A 32 1.360 -12.985 2.460 1.00 0.00 C ATOM 294 CD PRO A 32 0.300 -13.066 1.361 1.00 0.00 C ATOM 0 HA PRO A 32 -0.822 -10.989 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.948 -10.902 2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.365 -11.578 4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.361 -13.144 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.199 -13.745 3.225 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.710 -12.775 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.081 -14.081 1.253 1.00 0.00 H new ATOM 302 N VAL A 33 -1.329 -9.287 1.606 1.00 0.00 N ATOM 303 CA VAL A 33 -1.540 -8.110 0.738 1.00 0.00 C ATOM 304 C VAL A 33 -1.209 -6.806 1.467 1.00 0.00 C ATOM 305 O VAL A 33 -1.662 -6.540 2.582 1.00 0.00 O ATOM 306 CB VAL A 33 -2.984 -8.144 0.174 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.293 -6.941 -0.712 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.217 -9.400 -0.669 1.00 0.00 C ATOM 0 H VAL A 33 -2.201 -9.748 1.867 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.851 -8.151 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.638 -8.132 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.316 -7.014 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.180 -6.024 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.603 -6.924 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.238 -9.397 -1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.517 -9.413 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.063 -10.286 -0.053 1.00 0.00 H new ATOM 318 N MET A 34 -0.645 -5.938 0.651 1.00 0.00 N ATOM 319 CA MET A 34 -0.072 -4.649 1.038 1.00 0.00 C ATOM 320 C MET A 34 -0.686 -3.503 0.244 1.00 0.00 C ATOM 321 O MET A 34 -0.974 -3.610 -0.945 1.00 0.00 O ATOM 322 CB MET A 34 1.431 -4.652 0.767 1.00 0.00 C ATOM 323 CG MET A 34 2.059 -5.719 1.646 1.00 0.00 C ATOM 324 SD MET A 34 3.889 -5.722 1.735 1.00 0.00 S ATOM 325 CE MET A 34 4.158 -4.052 2.292 1.00 0.00 C ATOM 0 H MET A 34 -0.566 -6.114 -0.351 1.00 0.00 H new ATOM 0 HA MET A 34 -0.280 -4.505 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.629 -4.858 -0.285 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.861 -3.675 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.667 -5.604 2.657 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.732 -6.695 1.286 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.935 -4.044 3.057 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.471 -3.434 1.451 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.233 -3.655 2.710 1.00 0.00 H new ATOM 335 N VAL A 35 -0.755 -2.386 0.942 1.00 0.00 N ATOM 336 CA VAL A 35 -1.353 -1.178 0.363 1.00 0.00 C ATOM 337 C VAL A 35 -0.715 0.089 0.950 1.00 0.00 C ATOM 338 O VAL A 35 -0.645 0.225 2.159 1.00 0.00 O ATOM 339 CB VAL A 35 -2.874 -1.273 0.563 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.298 -1.244 2.043 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.585 -0.183 -0.227 1.00 0.00 C ATOM 0 H VAL A 35 -0.413 -2.280 1.897 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.157 -1.107 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.177 -2.248 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.384 -1.315 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.846 -2.085 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.965 -0.311 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.661 -0.266 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.244 0.795 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.360 -0.297 -1.287 1.00 0.00 H new ATOM 351 N ASP A 36 -0.324 1.003 0.072 1.00 0.00 N ATOM 352 CA ASP A 36 0.326 2.273 0.442 1.00 0.00 C ATOM 353 C ASP A 36 -0.635 3.401 0.878 1.00 0.00 C ATOM 354 O ASP A 36 -0.349 4.115 1.832 1.00 0.00 O ATOM 355 CB ASP A 36 1.188 2.743 -0.738 1.00 0.00 C ATOM 356 CG ASP A 36 1.988 4.017 -0.466 1.00 0.00 C ATOM 357 OD1 ASP A 36 2.797 3.998 0.483 1.00 0.00 O ATOM 358 OD2 ASP A 36 1.829 4.947 -1.288 1.00 0.00 O ATOM 0 H ASP A 36 -0.447 0.890 -0.934 1.00 0.00 H new ATOM 0 HA ASP A 36 0.928 2.063 1.326 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.879 1.945 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.542 2.911 -1.600 1.00 0.00 H new ATOM 364 N PHE A 37 -1.782 3.463 0.200 1.00 0.00 N ATOM 365 CA PHE A 37 -2.742 4.595 0.241 1.00 0.00 C ATOM 366 C PHE A 37 -2.148 5.941 -0.161 1.00 0.00 C ATOM 367 O PHE A 37 -1.180 6.425 0.431 1.00 0.00 O ATOM 368 CB PHE A 37 -3.448 4.793 1.593 1.00 0.00 C ATOM 369 CG PHE A 37 -4.635 3.842 1.746 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.445 2.552 2.298 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.889 4.250 1.239 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.533 1.655 2.303 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.970 3.350 1.256 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.783 2.045 1.780 1.00 0.00 C ATOM 0 H PHE A 37 -2.089 2.709 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.473 4.280 -0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.739 4.626 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.792 5.824 1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.488 2.262 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.017 5.246 0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.408 0.663 2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.934 3.650 0.873 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.605 1.344 1.778 1.00 0.00 H new ATOM 384 N TRP A 38 -2.758 6.533 -1.179 1.00 0.00 N ATOM 385 CA TRP A 38 -2.388 7.888 -1.631 1.00 0.00 C ATOM 386 C TRP A 38 -3.632 8.788 -1.793 1.00 0.00 C ATOM 387 O TRP A 38 -4.748 8.313 -2.000 1.00 0.00 O ATOM 388 CB TRP A 38 -1.513 7.824 -2.893 1.00 0.00 C ATOM 389 CG TRP A 38 -2.304 7.626 -4.180 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.971 6.520 -4.509 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.733 8.636 -5.032 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.779 6.757 -5.534 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.715 8.050 -5.850 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.456 10.017 -5.127 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.464 8.842 -6.747 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.185 10.793 -6.039 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.191 10.212 -6.850 1.00 0.00 C ATOM 0 H TRP A 38 -3.513 6.104 -1.714 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.780 8.358 -0.858 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.935 8.745 -2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.798 7.008 -2.787 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.868 5.567 -4.012 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.357 6.061 -6.005 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.695 10.468 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.241 8.395 -7.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.977 11.849 -6.125 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.746 10.824 -7.546 1.00 0.00 H new ATOM 408 N ALA A 39 -3.330 10.070 -1.943 1.00 0.00 N ATOM 409 CA ALA A 39 -4.307 11.175 -1.991 1.00 0.00 C ATOM 410 C ALA A 39 -3.808 12.254 -2.970 1.00 0.00 C ATOM 411 O ALA A 39 -2.598 12.474 -3.030 1.00 0.00 O ATOM 412 CB ALA A 39 -4.381 11.748 -0.576 1.00 0.00 C ATOM 0 H ALA A 39 -2.367 10.392 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.286 10.834 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.093 12.573 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.706 10.970 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.397 12.110 -0.278 1.00 0.00 H new ATOM 418 N PRO A 40 -4.681 12.919 -3.746 1.00 0.00 N ATOM 419 CA PRO A 40 -4.241 13.959 -4.692 1.00 0.00 C ATOM 420 C PRO A 40 -3.435 15.106 -4.066 1.00 0.00 C ATOM 421 O PRO A 40 -2.351 15.426 -4.539 1.00 0.00 O ATOM 422 CB PRO A 40 -5.502 14.431 -5.423 1.00 0.00 C ATOM 423 CG PRO A 40 -6.683 13.792 -4.705 1.00 0.00 C ATOM 424 CD PRO A 40 -6.115 12.621 -3.890 1.00 0.00 C ATOM 0 HA PRO A 40 -3.517 13.535 -5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.578 15.518 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.477 14.132 -6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.178 14.513 -4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.428 13.442 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.602 12.544 -2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.272 11.671 -4.401 1.00 0.00 H new ATOM 432 N TRP A 41 -3.837 15.478 -2.847 1.00 0.00 N ATOM 433 CA TRP A 41 -3.185 16.510 -2.013 1.00 0.00 C ATOM 434 C TRP A 41 -1.869 16.102 -1.333 1.00 0.00 C ATOM 435 O TRP A 41 -1.331 16.822 -0.486 1.00 0.00 O ATOM 436 CB TRP A 41 -4.225 17.042 -1.022 1.00 0.00 C ATOM 437 CG TRP A 41 -5.119 15.948 -0.405 1.00 0.00 C ATOM 438 CD1 TRP A 41 -6.400 15.754 -0.692 1.00 0.00 C ATOM 439 CD2 TRP A 41 -4.822 15.171 0.715 1.00 0.00 C ATOM 440 NE1 TRP A 41 -6.956 14.929 0.197 1.00 0.00 N ATOM 441 CE2 TRP A 41 -6.038 14.556 1.081 1.00 0.00 C ATOM 442 CE3 TRP A 41 -3.631 14.899 1.409 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -6.081 13.678 2.188 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -3.678 14.008 2.498 1.00 0.00 C ATOM 445 CH2 TRP A 41 -4.900 13.416 2.899 1.00 0.00 C ATOM 0 H TRP A 41 -4.650 15.061 -2.393 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.848 17.299 -2.685 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.710 17.572 -0.220 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.857 17.770 -1.530 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.919 16.201 -1.527 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.932 14.632 0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.701 15.363 1.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.011 13.215 2.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.770 13.773 3.034 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.923 12.760 3.756 1.00 0.00 H new ATOM 456 N CYS A 42 -1.298 14.977 -1.794 1.00 0.00 N ATOM 457 CA CYS A 42 -0.012 14.432 -1.322 1.00 0.00 C ATOM 458 C CYS A 42 1.193 14.843 -2.209 1.00 0.00 C ATOM 459 O CYS A 42 2.334 14.741 -1.781 1.00 0.00 O ATOM 460 CB CYS A 42 -0.214 12.909 -1.255 1.00 0.00 C ATOM 461 SG CYS A 42 1.204 11.821 -0.870 1.00 0.00 S ATOM 0 H CYS A 42 -1.727 14.407 -2.523 1.00 0.00 H new ATOM 0 HA CYS A 42 0.249 14.841 -0.346 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.984 12.716 -0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.616 12.592 -2.217 1.00 0.00 H new ATOM 466 N GLY A 43 0.901 15.293 -3.434 1.00 0.00 N ATOM 467 CA GLY A 43 1.923 15.675 -4.427 1.00 0.00 C ATOM 468 C GLY A 43 1.947 14.614 -5.539 1.00 0.00 C ATOM 469 O GLY A 43 0.880 14.125 -5.914 1.00 0.00 O ATOM 0 H GLY A 43 -0.055 15.405 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.696 16.656 -4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.902 15.749 -3.953 1.00 0.00 H new ATOM 473 N PRO A 44 3.135 14.191 -6.021 1.00 0.00 N ATOM 474 CA PRO A 44 3.239 13.138 -7.053 1.00 0.00 C ATOM 475 C PRO A 44 3.114 11.714 -6.462 1.00 0.00 C ATOM 476 O PRO A 44 3.846 10.789 -6.831 1.00 0.00 O ATOM 477 CB PRO A 44 4.578 13.408 -7.733 1.00 0.00 C ATOM 478 CG PRO A 44 5.442 14.024 -6.635 1.00 0.00 C ATOM 479 CD PRO A 44 4.451 14.839 -5.792 1.00 0.00 C ATOM 0 HA PRO A 44 2.419 13.173 -7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.020 12.490 -8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.465 14.087 -8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.936 13.257 -6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.225 14.657 -7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.722 14.822 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.436 15.884 -6.100 1.00 0.00 H new ATOM 487 N CYS A 45 2.069 11.532 -5.677 1.00 0.00 N ATOM 488 CA CYS A 45 1.760 10.240 -5.037 1.00 0.00 C ATOM 489 C CYS A 45 0.936 9.409 -6.024 1.00 0.00 C ATOM 490 O CYS A 45 0.378 9.950 -6.992 1.00 0.00 O ATOM 491 CB CYS A 45 1.105 10.504 -3.675 1.00 0.00 C ATOM 492 SG CYS A 45 2.149 11.616 -2.670 1.00 0.00 S ATOM 0 H CYS A 45 1.400 12.270 -5.456 1.00 0.00 H new ATOM 0 HA CYS A 45 2.647 9.647 -4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.121 10.950 -3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.954 9.562 -3.148 1.00 0.00 H new ATOM 497 N LYS A 46 1.042 8.104 -5.820 1.00 0.00 N ATOM 498 CA LYS A 46 0.656 7.001 -6.730 1.00 0.00 C ATOM 499 C LYS A 46 1.823 6.742 -7.692 1.00 0.00 C ATOM 500 O LYS A 46 2.504 5.716 -7.574 1.00 0.00 O ATOM 501 CB LYS A 46 -0.645 7.236 -7.510 1.00 0.00 C ATOM 502 CG LYS A 46 -1.160 5.945 -8.108 1.00 0.00 C ATOM 503 CD LYS A 46 -2.444 6.286 -8.840 1.00 0.00 C ATOM 504 CE LYS A 46 -3.140 5.058 -9.433 1.00 0.00 C ATOM 505 NZ LYS A 46 -3.655 4.216 -8.338 1.00 0.00 N ATOM 0 H LYS A 46 1.430 7.745 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 46 0.449 6.130 -6.108 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.399 7.660 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.472 7.964 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.427 5.516 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.343 5.204 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.126 6.786 -8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.223 6.993 -9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.957 5.368 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.441 4.490 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.007 3.318 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.891 4.023 -7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.431 4.712 -7.854 1.00 0.00 H new ATOM 519 N LEU A 47 2.165 7.782 -8.452 1.00 0.00 N ATOM 520 CA LEU A 47 3.272 7.803 -9.438 1.00 0.00 C ATOM 521 C LEU A 47 4.626 7.379 -8.843 1.00 0.00 C ATOM 522 O LEU A 47 5.407 6.712 -9.509 1.00 0.00 O ATOM 523 CB LEU A 47 3.405 9.215 -9.994 1.00 0.00 C ATOM 524 CG LEU A 47 2.082 9.702 -10.601 1.00 0.00 C ATOM 525 CD1 LEU A 47 2.073 11.222 -10.661 1.00 0.00 C ATOM 526 CD2 LEU A 47 1.799 9.051 -11.954 1.00 0.00 C ATOM 0 H LEU A 47 1.667 8.671 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 47 3.022 7.081 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.714 9.894 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.186 9.237 -10.754 1.00 0.00 H new ATOM 0 HG LEU A 47 1.262 9.389 -9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.132 11.564 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.179 11.626 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.902 11.567 -11.279 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.853 9.424 -12.347 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.602 9.294 -12.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.739 7.969 -11.832 1.00 0.00 H new ATOM 538 N ILE A 48 4.933 7.933 -7.671 1.00 0.00 N ATOM 539 CA ILE A 48 6.157 7.535 -6.942 1.00 0.00 C ATOM 540 C ILE A 48 6.189 6.065 -6.497 1.00 0.00 C ATOM 541 O ILE A 48 7.021 5.318 -7.002 1.00 0.00 O ATOM 542 CB ILE A 48 6.538 8.531 -5.819 1.00 0.00 C ATOM 543 CG1 ILE A 48 5.375 8.804 -4.839 1.00 0.00 C ATOM 544 CG2 ILE A 48 7.106 9.802 -6.476 1.00 0.00 C ATOM 545 CD1 ILE A 48 5.788 9.502 -3.545 1.00 0.00 C ATOM 0 H ILE A 48 4.370 8.645 -7.206 1.00 0.00 H new ATOM 0 HA ILE A 48 6.953 7.598 -7.684 1.00 0.00 H new ATOM 0 HB ILE A 48 7.309 8.092 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.627 9.415 -5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.897 7.857 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.382 10.519 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.987 9.545 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.352 10.243 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.910 9.654 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.512 8.884 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.238 10.467 -3.780 1.00 0.00 H new ATOM 557 N ALA A 49 5.311 5.675 -5.558 1.00 0.00 N ATOM 558 CA ALA A 49 5.219 4.300 -4.975 1.00 0.00 C ATOM 559 C ALA A 49 6.552 3.533 -4.826 1.00 0.00 C ATOM 560 O ALA A 49 6.516 2.305 -4.731 1.00 0.00 O ATOM 561 CB ALA A 49 4.180 3.553 -5.822 1.00 0.00 C ATOM 0 H ALA A 49 4.621 6.315 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 49 4.914 4.379 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.066 2.537 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.223 4.071 -5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.512 3.520 -6.860 1.00 0.00 H new ATOM 567 N PRO A 50 7.658 4.196 -4.418 1.00 0.00 N ATOM 568 CA PRO A 50 9.004 3.616 -4.552 1.00 0.00 C ATOM 569 C PRO A 50 9.211 2.383 -3.670 1.00 0.00 C ATOM 570 O PRO A 50 9.396 1.280 -4.182 1.00 0.00 O ATOM 571 CB PRO A 50 9.964 4.719 -4.147 1.00 0.00 C ATOM 572 CG PRO A 50 9.105 5.918 -3.747 1.00 0.00 C ATOM 573 CD PRO A 50 7.699 5.349 -3.509 1.00 0.00 C ATOM 0 HA PRO A 50 9.164 3.271 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.594 4.399 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.629 4.976 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.493 6.397 -2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.095 6.674 -4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.553 5.051 -2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.923 6.077 -3.744 1.00 0.00 H new ATOM 581 N VAL A 51 9.089 2.570 -2.351 1.00 0.00 N ATOM 582 CA VAL A 51 9.218 1.498 -1.342 1.00 0.00 C ATOM 583 C VAL A 51 8.259 0.334 -1.670 1.00 0.00 C ATOM 584 O VAL A 51 8.725 -0.783 -1.866 1.00 0.00 O ATOM 585 CB VAL A 51 9.021 2.103 0.060 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.961 1.040 1.160 1.00 0.00 C ATOM 587 CG2 VAL A 51 10.158 3.076 0.405 1.00 0.00 C ATOM 0 H VAL A 51 8.895 3.484 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 51 10.217 1.063 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 51 8.065 2.626 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.821 1.524 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.127 0.365 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.892 0.473 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.994 3.489 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.110 2.545 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.178 3.885 -0.325 1.00 0.00 H new ATOM 597 N ILE A 52 7.018 0.666 -2.001 1.00 0.00 N ATOM 598 CA ILE A 52 5.996 -0.321 -2.401 1.00 0.00 C ATOM 599 C ILE A 52 6.347 -1.108 -3.678 1.00 0.00 C ATOM 600 O ILE A 52 6.303 -2.334 -3.678 1.00 0.00 O ATOM 601 CB ILE A 52 4.636 0.430 -2.394 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.971 0.361 -1.012 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.628 0.000 -3.472 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.799 0.970 0.114 1.00 0.00 C ATOM 0 H ILE A 52 6.680 1.628 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 52 5.938 -1.145 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 52 4.907 1.456 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.010 0.873 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.765 -0.682 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.716 0.589 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.060 0.163 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.392 -1.057 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.256 0.879 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.750 0.444 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.983 2.023 -0.098 1.00 0.00 H new ATOM 616 N ASP A 53 6.901 -0.380 -4.647 1.00 0.00 N ATOM 617 CA ASP A 53 7.367 -0.998 -5.911 1.00 0.00 C ATOM 618 C ASP A 53 8.488 -2.012 -5.694 1.00 0.00 C ATOM 619 O ASP A 53 8.487 -3.125 -6.214 1.00 0.00 O ATOM 620 CB ASP A 53 7.789 0.078 -6.930 1.00 0.00 C ATOM 621 CG ASP A 53 6.631 0.897 -7.508 1.00 0.00 C ATOM 622 OD1 ASP A 53 5.459 0.522 -7.280 1.00 0.00 O ATOM 623 OD2 ASP A 53 6.952 1.908 -8.170 1.00 0.00 O ATOM 0 H ASP A 53 7.042 0.629 -4.593 1.00 0.00 H new ATOM 0 HA ASP A 53 6.520 -1.549 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.494 0.757 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.320 -0.405 -7.750 1.00 0.00 H new ATOM 629 N GLU A 54 9.378 -1.629 -4.784 1.00 0.00 N ATOM 630 CA GLU A 54 10.490 -2.444 -4.295 1.00 0.00 C ATOM 631 C GLU A 54 10.082 -3.662 -3.478 1.00 0.00 C ATOM 632 O GLU A 54 10.564 -4.766 -3.747 1.00 0.00 O ATOM 633 CB GLU A 54 11.390 -1.606 -3.395 1.00 0.00 C ATOM 634 CG GLU A 54 12.193 -0.548 -4.158 1.00 0.00 C ATOM 635 CD GLU A 54 13.105 -1.219 -5.180 1.00 0.00 C ATOM 636 OE1 GLU A 54 14.139 -1.759 -4.749 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.716 -1.195 -6.362 1.00 0.00 O ATOM 0 H GLU A 54 9.345 -0.707 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 54 10.989 -2.794 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.779 -1.113 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.080 -2.265 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.515 0.141 -4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.787 0.042 -3.460 1.00 0.00 H new ATOM 645 N LEU A 55 9.174 -3.457 -2.525 1.00 0.00 N ATOM 646 CA LEU A 55 8.689 -4.539 -1.646 1.00 0.00 C ATOM 647 C LEU A 55 8.104 -5.736 -2.400 1.00 0.00 C ATOM 648 O LEU A 55 8.345 -6.881 -2.013 1.00 0.00 O ATOM 649 CB LEU A 55 7.655 -4.007 -0.634 1.00 0.00 C ATOM 650 CG LEU A 55 8.223 -2.957 0.331 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.072 -2.367 1.150 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.298 -3.498 1.276 1.00 0.00 C ATOM 0 H LEU A 55 8.752 -2.548 -2.335 1.00 0.00 H new ATOM 0 HA LEU A 55 9.572 -4.900 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.817 -3.572 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.261 -4.843 -0.057 1.00 0.00 H new ATOM 0 HG LEU A 55 8.711 -2.197 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.462 -1.619 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.350 -1.900 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.583 -3.161 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.649 -2.696 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.878 -4.300 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.134 -3.884 0.693 1.00 0.00 H new ATOM 664 N ALA A 56 7.694 -5.436 -3.622 1.00 0.00 N ATOM 665 CA ALA A 56 7.139 -6.411 -4.594 1.00 0.00 C ATOM 666 C ALA A 56 8.161 -7.505 -4.949 1.00 0.00 C ATOM 667 O ALA A 56 7.882 -8.695 -4.808 1.00 0.00 O ATOM 668 CB ALA A 56 6.730 -5.642 -5.850 1.00 0.00 C ATOM 0 H ALA A 56 7.732 -4.486 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 56 6.279 -6.912 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.318 -6.335 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.977 -4.897 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.603 -5.144 -6.272 1.00 0.00 H new ATOM 674 N LYS A 57 9.350 -7.061 -5.347 1.00 0.00 N ATOM 675 CA LYS A 57 10.466 -7.960 -5.688 1.00 0.00 C ATOM 676 C LYS A 57 11.380 -8.329 -4.515 1.00 0.00 C ATOM 677 O LYS A 57 12.060 -9.343 -4.545 1.00 0.00 O ATOM 678 CB LYS A 57 11.275 -7.416 -6.861 1.00 0.00 C ATOM 679 CG LYS A 57 11.746 -5.987 -6.624 1.00 0.00 C ATOM 680 CD LYS A 57 11.744 -5.293 -7.991 1.00 0.00 C ATOM 681 CE LYS A 57 11.819 -3.796 -7.786 1.00 0.00 C ATOM 682 NZ LYS A 57 12.895 -3.307 -8.645 1.00 0.00 N ATOM 0 H LYS A 57 9.574 -6.071 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 57 9.990 -8.896 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.139 -8.058 -7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.668 -7.451 -7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.085 -5.472 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.744 -5.976 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.591 -5.634 -8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.841 -5.552 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.872 -3.322 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.020 -3.558 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.098 -2.313 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.749 -3.880 -8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.604 -3.379 -9.641 1.00 0.00 H new ATOM 696 N GLU A 58 11.305 -7.514 -3.472 1.00 0.00 N ATOM 697 CA GLU A 58 12.046 -7.739 -2.220 1.00 0.00 C ATOM 698 C GLU A 58 11.635 -9.086 -1.599 1.00 0.00 C ATOM 699 O GLU A 58 12.473 -9.820 -1.079 1.00 0.00 O ATOM 700 CB GLU A 58 11.691 -6.605 -1.279 1.00 0.00 C ATOM 701 CG GLU A 58 12.945 -6.103 -0.585 1.00 0.00 C ATOM 702 CD GLU A 58 12.570 -5.749 0.849 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.678 -6.652 1.700 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.085 -4.617 1.059 1.00 0.00 O ATOM 0 H GLU A 58 10.729 -6.672 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 58 13.120 -7.767 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.221 -5.793 -1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.967 -6.947 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.722 -6.867 -0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.345 -5.231 -1.102 1.00 0.00 H new ATOM 712 N TYR A 59 10.324 -9.302 -1.562 1.00 0.00 N ATOM 713 CA TYR A 59 9.772 -10.638 -1.291 1.00 0.00 C ATOM 714 C TYR A 59 8.970 -11.108 -2.501 1.00 0.00 C ATOM 715 O TYR A 59 7.745 -10.979 -2.603 1.00 0.00 O ATOM 716 CB TYR A 59 9.067 -10.844 0.058 1.00 0.00 C ATOM 717 CG TYR A 59 8.639 -9.578 0.771 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.638 -8.825 1.424 1.00 0.00 C ATOM 719 CD2 TYR A 59 7.355 -9.064 0.483 1.00 0.00 C ATOM 720 CE1 TYR A 59 9.356 -7.492 1.753 1.00 0.00 C ATOM 721 CE2 TYR A 59 7.074 -7.740 0.835 1.00 0.00 C ATOM 722 CZ TYR A 59 8.080 -6.981 1.477 1.00 0.00 C ATOM 723 OH TYR A 59 7.683 -5.829 2.076 1.00 0.00 O ATOM 0 H TYR A 59 9.622 -8.578 -1.714 1.00 0.00 H new ATOM 0 HA TYR A 59 10.631 -11.295 -1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.186 -11.465 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.734 -11.402 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.595 -9.264 1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.608 -9.679 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.109 -6.869 2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.108 -7.306 0.621 1.00 0.00 H new ATOM 0 HH TYR A 59 6.757 -5.922 2.383 1.00 0.00 H new ATOM 733 N SER A 60 9.813 -11.408 -3.480 1.00 0.00 N ATOM 734 CA SER A 60 9.475 -11.943 -4.806 1.00 0.00 C ATOM 735 C SER A 60 8.369 -13.005 -4.762 1.00 0.00 C ATOM 736 O SER A 60 8.577 -14.124 -4.282 1.00 0.00 O ATOM 737 CB SER A 60 10.735 -12.518 -5.460 1.00 0.00 C ATOM 738 OG SER A 60 11.291 -13.515 -4.597 1.00 0.00 O ATOM 0 H SER A 60 10.819 -11.278 -3.369 1.00 0.00 H new ATOM 0 HA SER A 60 9.085 -11.116 -5.399 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.492 -12.952 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.462 -11.726 -5.639 1.00 0.00 H new ATOM 0 HG SER A 60 10.568 -14.048 -4.204 1.00 0.00 H new ATOM 744 N GLY A 61 7.187 -12.488 -5.060 1.00 0.00 N ATOM 745 CA GLY A 61 5.933 -13.247 -5.192 1.00 0.00 C ATOM 746 C GLY A 61 5.131 -13.494 -3.895 1.00 0.00 C ATOM 747 O GLY A 61 4.144 -14.237 -3.948 1.00 0.00 O ATOM 0 H GLY A 61 7.060 -11.489 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.289 -12.719 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.166 -14.214 -5.637 1.00 0.00 H new ATOM 751 N LYS A 62 5.430 -12.769 -2.828 1.00 0.00 N ATOM 752 CA LYS A 62 4.742 -12.973 -1.539 1.00 0.00 C ATOM 753 C LYS A 62 3.420 -12.208 -1.376 1.00 0.00 C ATOM 754 O LYS A 62 2.404 -12.773 -0.999 1.00 0.00 O ATOM 755 CB LYS A 62 5.671 -12.635 -0.386 1.00 0.00 C ATOM 756 CG LYS A 62 6.099 -13.907 0.356 1.00 0.00 C ATOM 757 CD LYS A 62 7.042 -14.818 -0.448 1.00 0.00 C ATOM 758 CE LYS A 62 8.515 -14.483 -0.226 1.00 0.00 C ATOM 759 NZ LYS A 62 9.323 -15.307 -1.130 1.00 0.00 N ATOM 0 H LYS A 62 6.139 -12.035 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 62 4.475 -14.030 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.551 -12.114 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.170 -11.956 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.591 -13.623 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.208 -14.474 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.864 -15.856 -0.168 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.809 -14.729 -1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.695 -13.425 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.794 -14.673 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.330 -15.090 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.154 -16.313 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.058 -15.104 -2.115 1.00 0.00 H new ATOM 773 N ILE A 63 3.454 -10.948 -1.791 1.00 0.00 N ATOM 774 CA ILE A 63 2.349 -10.010 -1.531 1.00 0.00 C ATOM 775 C ILE A 63 1.838 -9.363 -2.831 1.00 0.00 C ATOM 776 O ILE A 63 2.528 -9.283 -3.839 1.00 0.00 O ATOM 777 CB ILE A 63 2.745 -8.928 -0.490 1.00 0.00 C ATOM 778 CG1 ILE A 63 3.503 -7.721 -1.057 1.00 0.00 C ATOM 779 CG2 ILE A 63 3.423 -9.500 0.769 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.770 -7.985 -1.861 1.00 0.00 C ATOM 0 H ILE A 63 4.233 -10.543 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 63 1.532 -10.593 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 63 1.781 -8.529 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.815 -7.163 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.766 -7.070 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.671 -8.686 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.744 -10.194 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.335 -10.025 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.193 -7.038 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.495 -8.506 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.529 -8.600 -2.728 1.00 0.00 H new ATOM 792 N ALA A 64 0.661 -8.760 -2.683 1.00 0.00 N ATOM 793 CA ALA A 64 0.055 -7.919 -3.720 1.00 0.00 C ATOM 794 C ALA A 64 0.114 -6.469 -3.215 1.00 0.00 C ATOM 795 O ALA A 64 -0.402 -6.166 -2.137 1.00 0.00 O ATOM 796 CB ALA A 64 -1.375 -8.415 -3.938 1.00 0.00 C ATOM 0 H ALA A 64 0.096 -8.839 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 64 0.573 -7.968 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.857 -7.810 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.354 -9.457 -4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.935 -8.332 -3.006 1.00 0.00 H new ATOM 802 N VAL A 65 0.856 -5.644 -3.937 1.00 0.00 N ATOM 803 CA VAL A 65 1.173 -4.244 -3.556 1.00 0.00 C ATOM 804 C VAL A 65 0.342 -3.185 -4.291 1.00 0.00 C ATOM 805 O VAL A 65 0.592 -2.846 -5.446 1.00 0.00 O ATOM 806 CB VAL A 65 2.672 -3.937 -3.677 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.371 -4.131 -2.333 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.432 -4.645 -4.802 1.00 0.00 C ATOM 0 H VAL A 65 1.272 -5.919 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 65 0.888 -4.177 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 65 2.702 -2.889 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.433 -3.909 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.932 -3.460 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.248 -5.163 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.479 -4.344 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.362 -5.724 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.997 -4.372 -5.763 1.00 0.00 H new ATOM 818 N TYR A 66 -0.566 -2.596 -3.516 1.00 0.00 N ATOM 819 CA TYR A 66 -1.568 -1.623 -4.000 1.00 0.00 C ATOM 820 C TYR A 66 -1.428 -0.188 -3.472 1.00 0.00 C ATOM 821 O TYR A 66 -0.729 0.092 -2.496 1.00 0.00 O ATOM 822 CB TYR A 66 -2.957 -2.144 -3.626 1.00 0.00 C ATOM 823 CG TYR A 66 -3.264 -3.403 -4.426 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.539 -3.283 -5.805 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.160 -4.656 -3.789 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.681 -4.441 -6.579 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.324 -5.813 -4.566 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.576 -5.698 -5.952 1.00 0.00 C ATOM 829 OH TYR A 66 -3.721 -6.814 -6.706 1.00 0.00 O ATOM 0 H TYR A 66 -0.635 -2.778 -2.515 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.405 -1.548 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.000 -2.360 -2.558 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.709 -1.381 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.639 -2.308 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.959 -4.724 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.868 -4.372 -7.640 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.258 -6.788 -4.106 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.597 -7.217 -6.529 1.00 0.00 H new ATOM 839 N LYS A 67 -2.126 0.714 -4.162 1.00 0.00 N ATOM 840 CA LYS A 67 -2.199 2.145 -3.792 1.00 0.00 C ATOM 841 C LYS A 67 -3.492 2.798 -4.302 1.00 0.00 C ATOM 842 O LYS A 67 -3.619 3.237 -5.444 1.00 0.00 O ATOM 843 CB LYS A 67 -0.972 2.957 -4.237 1.00 0.00 C ATOM 844 CG LYS A 67 -0.507 2.621 -5.644 1.00 0.00 C ATOM 845 CD LYS A 67 0.732 1.707 -5.583 1.00 0.00 C ATOM 846 CE LYS A 67 1.185 1.215 -6.953 1.00 0.00 C ATOM 847 NZ LYS A 67 1.550 2.344 -7.816 1.00 0.00 N ATOM 0 H LYS A 67 -2.662 0.481 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.206 2.162 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.210 4.019 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.154 2.778 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.308 2.126 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.268 3.536 -6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.551 2.248 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.510 0.847 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.038 0.546 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.387 0.638 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.276 2.041 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.709 2.673 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.924 3.120 -7.233 1.00 0.00 H new ATOM 861 N LEU A 68 -4.483 2.741 -3.428 1.00 0.00 N ATOM 862 CA LEU A 68 -5.806 3.297 -3.700 1.00 0.00 C ATOM 863 C LEU A 68 -5.825 4.832 -3.640 1.00 0.00 C ATOM 864 O LEU A 68 -5.192 5.443 -2.775 1.00 0.00 O ATOM 865 CB LEU A 68 -6.774 2.664 -2.678 1.00 0.00 C ATOM 866 CG LEU A 68 -8.179 3.260 -2.690 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.873 3.165 -4.053 1.00 0.00 C ATOM 868 CD2 LEU A 68 -9.019 2.557 -1.636 1.00 0.00 C ATOM 0 H LEU A 68 -4.397 2.309 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.112 3.058 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.844 1.594 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.353 2.776 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.080 4.323 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.867 3.608 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.286 3.701 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.961 2.118 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.026 2.975 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.068 1.492 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.566 2.700 -0.655 1.00 0.00 H new ATOM 880 N ASN A 69 -6.596 5.376 -4.581 1.00 0.00 N ATOM 881 CA ASN A 69 -6.959 6.800 -4.678 1.00 0.00 C ATOM 882 C ASN A 69 -7.990 6.957 -3.561 1.00 0.00 C ATOM 883 O ASN A 69 -9.157 6.600 -3.711 1.00 0.00 O ATOM 884 CB ASN A 69 -7.601 7.073 -6.045 1.00 0.00 C ATOM 885 CG ASN A 69 -6.877 6.528 -7.288 1.00 0.00 C ATOM 886 OD1 ASN A 69 -6.248 5.477 -7.305 1.00 0.00 O ATOM 887 ND2 ASN A 69 -7.016 7.212 -8.398 1.00 0.00 N ATOM 0 H ASN A 69 -7.005 4.818 -5.331 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.115 7.484 -4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.609 6.658 -6.033 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.702 8.152 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.602 6.868 -9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.538 8.088 -8.395 1.00 0.00 H new ATOM 894 N THR A 70 -7.461 7.229 -2.386 1.00 0.00 N ATOM 895 CA THR A 70 -8.281 7.215 -1.149 1.00 0.00 C ATOM 896 C THR A 70 -9.562 8.058 -1.218 1.00 0.00 C ATOM 897 O THR A 70 -10.674 7.549 -1.033 1.00 0.00 O ATOM 898 CB THR A 70 -7.469 7.529 0.111 1.00 0.00 C ATOM 899 OG1 THR A 70 -8.331 7.242 1.224 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.925 8.951 0.243 1.00 0.00 C ATOM 0 H THR A 70 -6.479 7.463 -2.241 1.00 0.00 H new ATOM 0 HA THR A 70 -8.617 6.181 -1.074 1.00 0.00 H new ATOM 0 HB THR A 70 -6.568 6.917 0.066 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.212 7.927 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.370 9.043 1.177 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.263 9.167 -0.596 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.754 9.659 0.242 1.00 0.00 H new ATOM 908 N ASP A 71 -9.385 9.191 -1.876 1.00 0.00 N ATOM 909 CA ASP A 71 -10.439 10.185 -2.163 1.00 0.00 C ATOM 910 C ASP A 71 -11.487 9.694 -3.189 1.00 0.00 C ATOM 911 O ASP A 71 -12.501 10.344 -3.396 1.00 0.00 O ATOM 912 CB ASP A 71 -9.828 11.527 -2.594 1.00 0.00 C ATOM 913 CG ASP A 71 -9.034 12.229 -1.485 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.938 11.701 -1.163 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.438 13.338 -1.093 1.00 0.00 O ATOM 0 H ASP A 71 -8.475 9.466 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.980 10.331 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.172 11.359 -3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.627 12.188 -2.931 1.00 0.00 H new ATOM 921 N GLU A 72 -11.143 8.618 -3.907 1.00 0.00 N ATOM 922 CA GLU A 72 -12.037 7.934 -4.877 1.00 0.00 C ATOM 923 C GLU A 72 -12.853 6.806 -4.222 1.00 0.00 C ATOM 924 O GLU A 72 -13.993 6.559 -4.614 1.00 0.00 O ATOM 925 CB GLU A 72 -11.166 7.382 -6.007 1.00 0.00 C ATOM 926 CG GLU A 72 -11.939 6.924 -7.247 1.00 0.00 C ATOM 927 CD GLU A 72 -10.981 6.578 -8.398 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.256 7.501 -8.836 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.999 5.426 -8.859 1.00 0.00 O ATOM 0 H GLU A 72 -10.223 8.183 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.762 8.651 -5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.451 8.150 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.589 6.540 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.546 6.053 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.624 7.710 -7.564 1.00 0.00 H new ATOM 937 N ALA A 73 -12.254 6.142 -3.240 1.00 0.00 N ATOM 938 CA ALA A 73 -12.901 5.038 -2.489 1.00 0.00 C ATOM 939 C ALA A 73 -12.918 5.252 -0.957 1.00 0.00 C ATOM 940 O ALA A 73 -12.262 4.523 -0.201 1.00 0.00 O ATOM 941 CB ALA A 73 -12.246 3.717 -2.912 1.00 0.00 C ATOM 0 H ALA A 73 -11.303 6.344 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.959 5.012 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.708 2.892 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.383 3.570 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.181 3.749 -2.683 1.00 0.00 H new ATOM 947 N PRO A 74 -13.814 6.135 -0.483 1.00 0.00 N ATOM 948 CA PRO A 74 -13.924 6.504 0.947 1.00 0.00 C ATOM 949 C PRO A 74 -14.221 5.313 1.864 1.00 0.00 C ATOM 950 O PRO A 74 -13.476 5.119 2.818 1.00 0.00 O ATOM 951 CB PRO A 74 -15.057 7.527 1.016 1.00 0.00 C ATOM 952 CG PRO A 74 -15.119 8.107 -0.392 1.00 0.00 C ATOM 953 CD PRO A 74 -14.807 6.891 -1.275 1.00 0.00 C ATOM 0 HA PRO A 74 -12.972 6.899 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -16.001 7.059 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.852 8.300 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.100 8.527 -0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.391 8.906 -0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.700 6.298 -1.471 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.405 7.190 -2.243 1.00 0.00 H new ATOM 961 N GLY A 75 -15.073 4.396 1.403 1.00 0.00 N ATOM 962 CA GLY A 75 -15.544 3.192 2.127 1.00 0.00 C ATOM 963 C GLY A 75 -14.404 2.305 2.658 1.00 0.00 C ATOM 964 O GLY A 75 -14.440 1.816 3.792 1.00 0.00 O ATOM 0 H GLY A 75 -15.479 4.467 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.170 3.503 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.173 2.601 1.461 1.00 0.00 H new ATOM 968 N ILE A 76 -13.366 2.158 1.850 1.00 0.00 N ATOM 969 CA ILE A 76 -12.153 1.413 2.218 1.00 0.00 C ATOM 970 C ILE A 76 -11.392 2.130 3.351 1.00 0.00 C ATOM 971 O ILE A 76 -11.241 1.593 4.447 1.00 0.00 O ATOM 972 CB ILE A 76 -11.355 1.211 0.920 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.093 0.329 -0.097 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.930 0.728 1.164 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.596 -1.016 0.462 1.00 0.00 C ATOM 0 H ILE A 76 -13.333 2.553 0.910 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.372 0.432 2.638 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.270 2.202 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.944 0.885 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.427 0.132 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.419 0.605 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.396 1.461 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.954 -0.227 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.104 -1.571 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.750 -1.598 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.291 -0.832 1.282 1.00 0.00 H new ATOM 987 N ALA A 77 -11.103 3.403 3.097 1.00 0.00 N ATOM 988 CA ALA A 77 -10.484 4.310 4.073 1.00 0.00 C ATOM 989 C ALA A 77 -11.259 4.367 5.400 1.00 0.00 C ATOM 990 O ALA A 77 -10.633 4.357 6.461 1.00 0.00 O ATOM 991 CB ALA A 77 -10.366 5.708 3.446 1.00 0.00 C ATOM 0 H ALA A 77 -11.293 3.845 2.197 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.494 3.926 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.908 6.390 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.748 5.654 2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.358 6.073 3.181 1.00 0.00 H new ATOM 997 N THR A 78 -12.596 4.271 5.321 1.00 0.00 N ATOM 998 CA THR A 78 -13.482 4.145 6.495 1.00 0.00 C ATOM 999 C THR A 78 -13.129 2.870 7.280 1.00 0.00 C ATOM 1000 O THR A 78 -12.653 2.926 8.421 1.00 0.00 O ATOM 1001 CB THR A 78 -14.920 3.962 6.011 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.301 4.972 5.071 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.949 3.902 7.151 1.00 0.00 C ATOM 0 H THR A 78 -13.099 4.278 4.434 1.00 0.00 H new ATOM 0 HA THR A 78 -13.367 5.034 7.115 1.00 0.00 H new ATOM 0 HB THR A 78 -14.926 2.991 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.738 4.904 4.272 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.947 3.771 6.734 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.717 3.063 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.913 4.830 7.722 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.255 1.750 6.581 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.107 0.387 7.115 1.00 0.00 C ATOM 1013 C GLN A 79 -11.740 0.120 7.755 1.00 0.00 C ATOM 1014 O GLN A 79 -11.619 -0.638 8.716 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.354 -0.618 5.969 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.278 -2.104 6.350 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.399 -2.549 7.296 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.509 -2.867 6.894 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.118 -2.605 8.577 1.00 0.00 N ATOM 0 H GLN A 79 -13.472 1.758 5.584 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.840 0.269 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.339 -0.422 5.546 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.625 -0.427 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.318 -2.706 5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.315 -2.302 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.191 -2.339 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.827 -2.915 9.242 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.715 0.712 7.145 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.314 0.556 7.565 1.00 0.00 C ATOM 1030 C TYR A 80 -8.799 1.709 8.425 1.00 0.00 C ATOM 1031 O TYR A 80 -7.636 1.713 8.839 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.442 0.328 6.333 1.00 0.00 C ATOM 1033 CG TYR A 80 -8.860 -0.935 5.573 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -8.999 -2.159 6.278 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.415 -0.755 4.292 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -9.751 -3.202 5.695 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.161 -1.789 3.707 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.319 -2.998 4.427 1.00 0.00 C ATOM 1039 OH TYR A 80 -10.954 -4.038 3.825 1.00 0.00 O ATOM 0 H TYR A 80 -10.830 1.322 6.335 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.260 -0.317 8.215 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.512 1.192 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.398 0.243 6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.537 -2.290 7.245 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.267 0.174 3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.887 -4.139 6.214 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.605 -1.666 2.730 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.431 -3.715 3.032 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.691 2.664 8.695 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.435 3.851 9.517 1.00 0.00 C ATOM 1051 C ASN A 81 -8.129 4.558 9.118 1.00 0.00 C ATOM 1052 O ASN A 81 -7.222 4.826 9.923 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.517 3.415 10.986 1.00 0.00 C ATOM 1054 CG ASN A 81 -9.535 4.642 11.880 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -10.402 5.491 11.774 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -8.475 4.787 12.641 1.00 0.00 N ATOM 0 H ASN A 81 -10.645 2.632 8.335 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.189 4.620 9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.415 2.820 11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.665 2.782 11.236 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.348 5.643 13.180 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.779 4.043 12.693 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.051 4.832 7.824 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.868 5.518 7.250 1.00 0.00 C ATOM 1065 C ILE A 82 -7.158 7.004 7.301 1.00 0.00 C ATOM 1066 O ILE A 82 -8.203 7.493 6.881 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.365 4.956 5.893 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.909 5.647 4.640 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.514 3.442 5.788 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.166 6.946 4.339 1.00 0.00 C ATOM 0 H ILE A 82 -8.776 4.599 7.146 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.984 5.310 7.853 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.303 5.201 5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.823 4.973 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.970 5.858 4.773 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.146 3.107 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.938 2.964 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.565 3.172 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.583 7.404 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.274 7.630 5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.109 6.732 4.179 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.372 7.573 8.173 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.407 9.029 8.417 1.00 0.00 C ATOM 1084 C ARG A 83 -5.224 9.787 7.835 1.00 0.00 C ATOM 1085 O ARG A 83 -5.241 11.004 7.684 1.00 0.00 O ATOM 1086 CB ARG A 83 -6.386 9.247 9.910 1.00 0.00 C ATOM 1087 CG ARG A 83 -7.667 8.627 10.415 1.00 0.00 C ATOM 1088 CD ARG A 83 -7.435 8.479 11.889 1.00 0.00 C ATOM 1089 NE ARG A 83 -8.594 7.737 12.376 1.00 0.00 N ATOM 1090 CZ ARG A 83 -8.796 7.535 13.669 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -7.881 7.952 14.521 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -9.824 6.840 14.097 1.00 0.00 N ATOM 0 H ARG A 83 -5.690 7.068 8.739 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.306 9.407 7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.514 8.777 10.365 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.339 10.309 10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.528 9.262 10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.859 7.664 9.942 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.508 7.942 12.092 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.354 9.451 12.376 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.265 7.365 11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.041 8.418 14.179 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.013 7.808 15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.485 6.444 13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.961 6.696 15.097 1.00 0.00 H new ATOM 1106 N SER A 84 -4.203 9.001 7.569 1.00 0.00 N ATOM 1107 CA SER A 84 -2.918 9.527 7.099 1.00 0.00 C ATOM 1108 C SER A 84 -2.518 8.974 5.738 1.00 0.00 C ATOM 1109 O SER A 84 -2.930 7.888 5.319 1.00 0.00 O ATOM 1110 CB SER A 84 -1.832 9.212 8.123 1.00 0.00 C ATOM 1111 OG SER A 84 -1.872 7.815 8.426 1.00 0.00 O ATOM 0 H SER A 84 -4.229 7.986 7.668 1.00 0.00 H new ATOM 0 HA SER A 84 -3.032 10.605 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.853 9.484 7.730 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.986 9.799 9.029 1.00 0.00 H new ATOM 0 HG SER A 84 -2.065 7.309 7.609 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.837 9.840 5.019 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.252 9.488 3.713 1.00 0.00 C ATOM 1119 C ILE A 85 0.267 9.666 3.844 1.00 0.00 C ATOM 1120 O ILE A 85 0.719 10.805 4.016 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.897 10.304 2.583 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.406 10.012 2.461 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.173 10.120 1.240 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.797 8.565 2.155 1.00 0.00 C ATOM 0 H ILE A 85 -1.666 10.803 5.307 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.454 8.453 3.438 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.788 11.354 2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.887 10.306 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.815 10.649 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.668 10.718 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.137 10.443 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.200 9.069 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.882 8.487 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.357 8.262 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.431 7.914 2.948 1.00 0.00 H new ATOM 1136 N PRO A 86 1.011 8.554 3.711 1.00 0.00 N ATOM 1137 CA PRO A 86 0.504 7.194 3.453 1.00 0.00 C ATOM 1138 C PRO A 86 0.034 6.435 4.709 1.00 0.00 C ATOM 1139 O PRO A 86 0.036 6.978 5.818 1.00 0.00 O ATOM 1140 CB PRO A 86 1.684 6.489 2.791 1.00 0.00 C ATOM 1141 CG PRO A 86 2.888 7.123 3.488 1.00 0.00 C ATOM 1142 CD PRO A 86 2.486 8.585 3.667 1.00 0.00 C ATOM 0 HA PRO A 86 -0.395 7.230 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.649 5.410 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.704 6.658 1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.091 6.645 4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.792 7.029 2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.903 9.003 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.847 9.201 2.843 1.00 0.00 H new ATOM 1150 N THR A 87 -0.553 5.276 4.453 1.00 0.00 N ATOM 1151 CA THR A 87 -0.936 4.284 5.476 1.00 0.00 C ATOM 1152 C THR A 87 -0.814 2.916 4.806 1.00 0.00 C ATOM 1153 O THR A 87 -1.572 2.555 3.906 1.00 0.00 O ATOM 1154 CB THR A 87 -2.354 4.475 6.042 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.396 5.765 6.638 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.716 3.440 7.110 1.00 0.00 C ATOM 0 H THR A 87 -0.787 4.981 3.505 1.00 0.00 H new ATOM 0 HA THR A 87 -0.279 4.396 6.338 1.00 0.00 H new ATOM 0 HB THR A 87 -3.068 4.358 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.409 6.449 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.728 3.627 7.470 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.663 2.440 6.680 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.015 3.515 7.941 1.00 0.00 H new ATOM 1164 N VAL A 88 0.181 2.205 5.296 1.00 0.00 N ATOM 1165 CA VAL A 88 0.556 0.904 4.742 1.00 0.00 C ATOM 1166 C VAL A 88 0.121 -0.273 5.619 1.00 0.00 C ATOM 1167 O VAL A 88 0.632 -0.530 6.707 1.00 0.00 O ATOM 1168 CB VAL A 88 2.001 0.937 4.237 1.00 0.00 C ATOM 1169 CG1 VAL A 88 3.001 1.222 5.361 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.372 -0.307 3.430 1.00 0.00 C ATOM 0 H VAL A 88 0.754 2.504 6.085 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.027 0.699 3.844 1.00 0.00 H new ATOM 0 HB VAL A 88 2.063 1.776 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.012 1.235 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.778 2.190 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.926 0.444 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.407 -0.230 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.257 -1.193 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.717 -0.387 2.562 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.007 -0.820 5.158 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.719 -1.932 5.821 1.00 0.00 C ATOM 1182 C LEU A 89 -1.310 -3.276 5.219 1.00 0.00 C ATOM 1183 O LEU A 89 -0.962 -3.373 4.039 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.241 -1.802 5.695 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.730 -0.490 6.295 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -4.301 0.405 5.207 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -4.876 -0.730 7.270 1.00 0.00 C ATOM 0 H LEU A 89 -1.463 -0.503 4.302 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.442 -1.884 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.528 -1.855 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.724 -2.639 6.200 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.874 -0.034 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.647 1.339 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.529 0.617 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.138 -0.099 4.723 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.207 0.222 7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.705 -1.206 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.537 -1.379 8.078 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.447 -4.282 6.067 1.00 0.00 N ATOM 1200 CA PHE A 90 -1.097 -5.670 5.759 1.00 0.00 C ATOM 1201 C PHE A 90 -2.262 -6.563 6.190 1.00 0.00 C ATOM 1202 O PHE A 90 -2.812 -6.478 7.288 1.00 0.00 O ATOM 1203 CB PHE A 90 0.186 -6.098 6.472 1.00 0.00 C ATOM 1204 CG PHE A 90 1.334 -5.093 6.405 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.755 -4.579 5.164 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.722 -4.490 7.617 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.563 -3.424 5.134 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.531 -3.335 7.587 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.943 -2.815 6.343 1.00 0.00 C ATOM 0 H PHE A 90 -1.812 -4.160 7.011 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.917 -5.764 4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.046 -6.290 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.524 -7.041 6.042 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.462 -5.064 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.403 -4.908 8.560 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.887 -3.011 4.190 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.831 -2.854 8.506 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.563 -1.931 6.318 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.720 -7.226 5.141 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.880 -8.124 5.138 1.00 0.00 C ATOM 1221 C PHE A 91 -3.424 -9.557 4.917 1.00 0.00 C ATOM 1222 O PHE A 91 -2.393 -9.788 4.295 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.811 -7.754 3.983 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.191 -6.277 3.985 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -6.206 -5.821 4.842 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -4.599 -5.428 3.021 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -6.662 -4.495 4.727 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -5.068 -4.108 2.896 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.091 -3.647 3.751 1.00 0.00 C ATOM 0 H PHE A 91 -2.279 -7.155 4.224 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.393 -8.030 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.326 -7.999 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.716 -8.358 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.632 -6.482 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.799 -5.788 2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.441 -4.128 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.647 -3.451 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.443 -2.630 3.658 1.00 0.00 H new ATOM 1239 N LYS A 92 -4.186 -10.478 5.494 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.952 -11.913 5.237 1.00 0.00 C ATOM 1241 C LYS A 92 -5.083 -12.460 4.341 1.00 0.00 C ATOM 1242 O LYS A 92 -5.359 -11.893 3.285 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.741 -12.630 6.582 1.00 0.00 C ATOM 1244 CG LYS A 92 -3.061 -13.999 6.402 1.00 0.00 C ATOM 1245 CD LYS A 92 -1.669 -13.863 5.793 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.986 -15.219 5.630 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.347 -14.989 5.053 1.00 0.00 N ATOM 0 H LYS A 92 -4.957 -10.275 6.130 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.039 -12.096 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.132 -12.005 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.703 -12.765 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.988 -14.499 7.368 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.678 -14.630 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.744 -13.375 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.056 -13.221 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.903 -15.722 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.575 -15.867 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.383 -15.386 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.536 -13.967 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.066 -15.451 5.646 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.940 -13.280 4.924 1.00 0.00 N ATOM 1262 CA ASN A 93 -7.054 -13.928 4.220 1.00 0.00 C ATOM 1263 C ASN A 93 -8.306 -13.067 4.440 1.00 0.00 C ATOM 1264 O ASN A 93 -9.085 -13.283 5.369 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.183 -15.354 4.780 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.186 -16.231 4.032 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -7.879 -16.900 3.053 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -9.400 -16.287 4.528 1.00 0.00 N ATOM 0 H ASN A 93 -5.889 -13.524 5.913 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.901 -14.009 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.205 -15.834 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.478 -15.296 5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.099 -16.892 4.098 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.644 -15.725 5.344 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.299 -11.937 3.733 1.00 0.00 N ATOM 1276 CA GLY A 94 -9.296 -10.852 3.844 1.00 0.00 C ATOM 1277 C GLY A 94 -9.377 -10.250 5.261 1.00 0.00 C ATOM 1278 O GLY A 94 -10.429 -9.760 5.670 1.00 0.00 O ATOM 0 H GLY A 94 -7.577 -11.737 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.047 -10.063 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.276 -11.237 3.562 1.00 0.00 H new ATOM 1282 N GLU A 95 -8.226 -10.159 5.921 1.00 0.00 N ATOM 1283 CA GLU A 95 -8.132 -9.760 7.337 1.00 0.00 C ATOM 1284 C GLU A 95 -6.986 -8.783 7.526 1.00 0.00 C ATOM 1285 O GLU A 95 -5.831 -9.128 7.300 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.805 -10.977 8.218 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.872 -12.062 8.200 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.254 -13.412 8.599 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -7.252 -13.801 7.941 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -8.784 -14.011 9.559 1.00 0.00 O ATOM 0 H GLU A 95 -7.322 -10.360 5.493 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.088 -9.317 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.859 -11.407 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.661 -10.641 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.677 -11.804 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.313 -12.134 7.206 1.00 0.00 H new ATOM 1298 N ARG A 96 -7.303 -7.685 8.200 1.00 0.00 N ATOM 1299 CA ARG A 96 -6.295 -6.671 8.488 1.00 0.00 C ATOM 1300 C ARG A 96 -5.756 -6.914 9.908 1.00 0.00 C ATOM 1301 O ARG A 96 -6.461 -6.790 10.905 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.900 -5.273 8.421 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.792 -4.225 8.381 1.00 0.00 C ATOM 1304 CD ARG A 96 -6.167 -3.058 9.290 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.763 -3.338 10.672 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.614 -2.432 11.635 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -5.959 -1.167 11.465 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -5.227 -2.818 12.835 1.00 0.00 N ATOM 0 H ARG A 96 -8.236 -7.474 8.554 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.496 -6.740 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.529 -5.182 7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.541 -5.103 9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.849 -4.664 8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.646 -3.873 7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.683 -2.146 8.940 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.242 -2.885 9.246 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.580 -4.311 10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.352 -0.861 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.832 -0.497 12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.044 -3.804 13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.110 -2.130 13.579 1.00 0.00 H new ATOM 1322 N LYS A 97 -4.539 -7.436 9.889 1.00 0.00 N ATOM 1323 CA LYS A 97 -3.831 -7.838 11.120 1.00 0.00 C ATOM 1324 C LYS A 97 -2.711 -6.884 11.571 1.00 0.00 C ATOM 1325 O LYS A 97 -2.543 -6.625 12.750 1.00 0.00 O ATOM 1326 CB LYS A 97 -3.384 -9.301 11.039 1.00 0.00 C ATOM 1327 CG LYS A 97 -3.052 -9.828 9.633 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.757 -9.227 9.073 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.321 -9.937 7.797 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.856 -11.294 8.118 1.00 0.00 N ATOM 0 H LYS A 97 -4.008 -7.597 9.033 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.562 -7.753 11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.504 -9.427 11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.171 -9.925 11.463 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.960 -10.914 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.877 -9.599 8.958 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.905 -8.167 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.967 -9.301 9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.152 -9.984 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.524 -9.375 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.301 -11.668 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.262 -11.265 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.676 -11.911 8.289 1.00 0.00 H new ATOM 1344 N GLU A 98 -2.017 -6.302 10.593 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.920 -5.347 10.823 1.00 0.00 C ATOM 1346 C GLU A 98 -1.143 -4.083 9.984 1.00 0.00 C ATOM 1347 O GLU A 98 -1.679 -4.142 8.878 1.00 0.00 O ATOM 1348 CB GLU A 98 0.423 -5.986 10.475 1.00 0.00 C ATOM 1349 CG GLU A 98 1.157 -6.540 11.705 1.00 0.00 C ATOM 1350 CD GLU A 98 0.635 -7.881 12.208 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.413 -8.789 11.372 1.00 0.00 O ATOM 1352 OE2 GLU A 98 0.569 -8.025 13.450 1.00 0.00 O ATOM 0 H GLU A 98 -2.199 -6.479 9.605 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.907 -5.072 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.261 -6.793 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.055 -5.247 9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.215 -6.645 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.085 -5.812 12.513 1.00 0.00 H new ATOM 1360 N SER A 99 -0.857 -2.949 10.615 1.00 0.00 N ATOM 1361 CA SER A 99 -0.990 -1.627 9.978 1.00 0.00 C ATOM 1362 C SER A 99 0.026 -0.622 10.529 1.00 0.00 C ATOM 1363 O SER A 99 0.312 -0.574 11.722 1.00 0.00 O ATOM 1364 CB SER A 99 -2.400 -1.074 10.195 1.00 0.00 C ATOM 1365 OG SER A 99 -2.772 -1.184 11.569 1.00 0.00 O ATOM 0 H SER A 99 -0.527 -2.911 11.579 1.00 0.00 H new ATOM 0 HA SER A 99 -0.799 -1.764 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.440 -0.030 9.883 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.111 -1.620 9.574 1.00 0.00 H new ATOM 0 HG SER A 99 -3.505 -0.562 11.760 1.00 0.00 H new ATOM 1371 N ILE A 100 0.708 0.010 9.579 1.00 0.00 N ATOM 1372 CA ILE A 100 1.647 1.116 9.847 1.00 0.00 C ATOM 1373 C ILE A 100 1.064 2.376 9.204 1.00 0.00 C ATOM 1374 O ILE A 100 1.021 2.549 7.984 1.00 0.00 O ATOM 1375 CB ILE A 100 3.051 0.815 9.296 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.612 -0.571 9.687 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.018 1.923 9.691 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.636 -0.904 11.184 1.00 0.00 C ATOM 0 H ILE A 100 0.630 -0.226 8.590 1.00 0.00 H new ATOM 0 HA ILE A 100 1.764 1.252 10.922 1.00 0.00 H new ATOM 0 HB ILE A 100 2.945 0.782 8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.022 -1.333 9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.630 -0.647 9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.009 1.699 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.670 2.872 9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.068 1.992 10.778 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.051 -1.902 11.328 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.253 -0.175 11.709 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.621 -0.872 11.580 1.00 0.00 H new ATOM 1390 N ILE A 101 0.605 3.230 10.099 1.00 0.00 N ATOM 1391 CA ILE A 101 0.005 4.535 9.797 1.00 0.00 C ATOM 1392 C ILE A 101 1.137 5.585 9.717 1.00 0.00 C ATOM 1393 O ILE A 101 1.945 5.709 10.641 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.026 4.827 10.911 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.202 3.848 10.874 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -1.572 6.241 10.888 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.117 2.784 11.970 1.00 0.00 C ATOM 0 H ILE A 101 0.637 3.034 11.100 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.514 4.558 8.839 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.464 4.700 11.836 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.135 4.402 10.982 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.233 3.359 9.900 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.289 6.368 11.699 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.753 6.949 11.013 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.067 6.424 9.935 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.976 2.117 11.897 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.199 2.209 11.848 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.115 3.267 12.947 1.00 0.00 H new ATOM 1409 N GLY A 102 1.306 6.116 8.504 1.00 0.00 N ATOM 1410 CA GLY A 102 2.257 7.199 8.188 1.00 0.00 C ATOM 1411 C GLY A 102 3.670 6.748 7.790 1.00 0.00 C ATOM 1412 O GLY A 102 4.149 7.054 6.701 1.00 0.00 O ATOM 0 H GLY A 102 0.776 5.802 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.843 7.795 7.375 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.335 7.854 9.056 1.00 0.00 H new ATOM 1416 N ALA A 103 4.280 5.963 8.680 1.00 0.00 N ATOM 1417 CA ALA A 103 5.695 5.550 8.584 1.00 0.00 C ATOM 1418 C ALA A 103 6.004 4.498 7.514 1.00 0.00 C ATOM 1419 O ALA A 103 6.016 3.284 7.736 1.00 0.00 O ATOM 1420 CB ALA A 103 6.157 5.135 9.976 1.00 0.00 C ATOM 0 H ALA A 103 3.805 5.588 9.501 1.00 0.00 H new ATOM 0 HA ALA A 103 6.267 6.408 8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.201 4.824 9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.056 5.978 10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.545 4.305 10.330 1.00 0.00 H new ATOM 1426 N VAL A 104 6.282 5.021 6.326 1.00 0.00 N ATOM 1427 CA VAL A 104 6.677 4.244 5.135 1.00 0.00 C ATOM 1428 C VAL A 104 8.164 3.792 4.953 1.00 0.00 C ATOM 1429 O VAL A 104 8.473 3.277 3.883 1.00 0.00 O ATOM 1430 CB VAL A 104 6.079 5.002 3.921 1.00 0.00 C ATOM 1431 CG1 VAL A 104 6.892 6.238 3.530 1.00 0.00 C ATOM 1432 CG2 VAL A 104 5.808 4.088 2.718 1.00 0.00 C ATOM 0 H VAL A 104 6.241 6.025 6.149 1.00 0.00 H new ATOM 0 HA VAL A 104 6.267 3.242 5.262 1.00 0.00 H new ATOM 0 HB VAL A 104 5.108 5.365 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.424 6.726 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.926 6.932 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.906 5.938 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.390 4.676 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.741 3.627 2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.100 3.310 3.004 1.00 0.00 H new ATOM 1442 N PRO A 105 9.099 3.993 5.903 1.00 0.00 N ATOM 1443 CA PRO A 105 10.446 3.394 5.805 1.00 0.00 C ATOM 1444 C PRO A 105 10.398 1.893 5.542 1.00 0.00 C ATOM 1445 O PRO A 105 9.870 1.104 6.321 1.00 0.00 O ATOM 1446 CB PRO A 105 11.172 3.688 7.112 1.00 0.00 C ATOM 1447 CG PRO A 105 10.404 4.841 7.741 1.00 0.00 C ATOM 1448 CD PRO A 105 9.245 5.168 6.788 1.00 0.00 C ATOM 0 HA PRO A 105 10.973 3.830 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.177 2.815 7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.213 3.959 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.029 4.565 8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.050 5.708 7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.325 5.355 7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.457 6.067 6.210 1.00 0.00 H new ATOM 1456 N LYS A 106 11.177 1.569 4.521 1.00 0.00 N ATOM 1457 CA LYS A 106 11.338 0.226 3.942 1.00 0.00 C ATOM 1458 C LYS A 106 11.530 -0.883 4.988 1.00 0.00 C ATOM 1459 O LYS A 106 10.626 -1.705 5.162 1.00 0.00 O ATOM 1460 CB LYS A 106 12.486 0.292 2.959 1.00 0.00 C ATOM 1461 CG LYS A 106 12.370 -0.808 1.913 1.00 0.00 C ATOM 1462 CD LYS A 106 13.393 -0.478 0.840 1.00 0.00 C ATOM 1463 CE LYS A 106 13.409 -1.490 -0.306 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.550 -1.101 -1.142 1.00 0.00 N ATOM 0 H LYS A 106 11.748 2.266 4.043 1.00 0.00 H new ATOM 0 HA LYS A 106 10.414 -0.054 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.495 1.266 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.432 0.195 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.567 -1.786 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.364 -0.844 1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.182 0.513 0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.384 -0.435 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.523 -2.508 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.478 -1.460 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.626 -1.751 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 14.411 -0.131 -1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.424 -1.145 -0.579 1.00 0.00 H new ATOM 1478 N SER A 107 12.520 -0.710 5.848 1.00 0.00 N ATOM 1479 CA SER A 107 12.852 -1.721 6.876 1.00 0.00 C ATOM 1480 C SER A 107 11.734 -1.973 7.899 1.00 0.00 C ATOM 1481 O SER A 107 11.446 -3.129 8.196 1.00 0.00 O ATOM 1482 CB SER A 107 14.160 -1.374 7.594 1.00 0.00 C ATOM 1483 OG SER A 107 14.076 -0.035 8.100 1.00 0.00 O ATOM 0 H SER A 107 13.117 0.117 5.866 1.00 0.00 H new ATOM 0 HA SER A 107 12.975 -2.654 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.338 -2.074 8.410 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.002 -1.464 6.907 1.00 0.00 H new ATOM 0 HG SER A 107 14.910 0.193 8.562 1.00 0.00 H new ATOM 1489 N THR A 108 11.037 -0.918 8.311 1.00 0.00 N ATOM 1490 CA THR A 108 9.873 -1.023 9.219 1.00 0.00 C ATOM 1491 C THR A 108 8.716 -1.847 8.669 1.00 0.00 C ATOM 1492 O THR A 108 8.146 -2.712 9.338 1.00 0.00 O ATOM 1493 CB THR A 108 9.388 0.418 9.518 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.520 1.205 9.898 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.295 0.476 10.590 1.00 0.00 C ATOM 0 H THR A 108 11.254 0.039 8.031 1.00 0.00 H new ATOM 0 HA THR A 108 10.201 -1.550 10.115 1.00 0.00 H new ATOM 0 HB THR A 108 8.930 0.818 8.613 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.232 2.122 10.090 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.999 1.512 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.431 -0.100 10.260 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.676 0.057 11.521 1.00 0.00 H new ATOM 1503 N LEU A 109 8.467 -1.605 7.386 1.00 0.00 N ATOM 1504 CA LEU A 109 7.421 -2.311 6.612 1.00 0.00 C ATOM 1505 C LEU A 109 7.823 -3.773 6.433 1.00 0.00 C ATOM 1506 O LEU A 109 7.106 -4.663 6.873 1.00 0.00 O ATOM 1507 CB LEU A 109 7.183 -1.693 5.226 1.00 0.00 C ATOM 1508 CG LEU A 109 7.107 -0.152 5.237 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.721 0.348 3.853 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.144 0.413 6.291 1.00 0.00 C ATOM 0 H LEU A 109 8.981 -0.913 6.841 1.00 0.00 H new ATOM 0 HA LEU A 109 6.493 -2.222 7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.986 -2.003 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.255 -2.091 4.816 1.00 0.00 H new ATOM 0 HG LEU A 109 8.098 0.208 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.667 1.437 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.469 0.027 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.749 -0.061 3.576 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.145 1.502 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.137 0.041 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.466 0.098 7.284 1.00 0.00 H new ATOM 1522 N THR A 110 9.098 -3.973 6.102 1.00 0.00 N ATOM 1523 CA THR A 110 9.684 -5.315 5.924 1.00 0.00 C ATOM 1524 C THR A 110 9.624 -6.166 7.199 1.00 0.00 C ATOM 1525 O THR A 110 8.999 -7.228 7.216 1.00 0.00 O ATOM 1526 CB THR A 110 11.066 -5.288 5.279 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.007 -4.459 4.121 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.444 -6.695 4.825 1.00 0.00 C ATOM 0 H THR A 110 9.760 -3.213 5.948 1.00 0.00 H new ATOM 0 HA THR A 110 9.044 -5.823 5.203 1.00 0.00 H new ATOM 0 HB THR A 110 11.797 -4.914 5.996 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.944 -3.520 4.394 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.432 -6.676 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.458 -7.364 5.686 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.712 -7.052 4.100 1.00 0.00 H new ATOM 1536 N ASP A 111 9.942 -5.499 8.283 1.00 0.00 N ATOM 1537 CA ASP A 111 9.837 -6.035 9.649 1.00 0.00 C ATOM 1538 C ASP A 111 8.400 -6.483 9.968 1.00 0.00 C ATOM 1539 O ASP A 111 8.155 -7.662 10.235 1.00 0.00 O ATOM 1540 CB ASP A 111 10.257 -4.850 10.532 1.00 0.00 C ATOM 1541 CG ASP A 111 10.639 -5.242 11.961 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.826 -5.920 12.617 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.725 -4.785 12.367 1.00 0.00 O ATOM 0 H ASP A 111 10.292 -4.541 8.255 1.00 0.00 H new ATOM 0 HA ASP A 111 10.454 -6.920 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.103 -4.345 10.066 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.439 -4.131 10.570 1.00 0.00 H new ATOM 1549 N SER A 112 7.456 -5.573 9.704 1.00 0.00 N ATOM 1550 CA SER A 112 6.012 -5.812 9.866 1.00 0.00 C ATOM 1551 C SER A 112 5.376 -6.857 8.944 1.00 0.00 C ATOM 1552 O SER A 112 4.367 -7.453 9.308 1.00 0.00 O ATOM 1553 CB SER A 112 5.217 -4.510 9.697 1.00 0.00 C ATOM 1554 OG SER A 112 5.389 -3.618 10.811 1.00 0.00 O ATOM 0 H SER A 112 7.674 -4.635 9.367 1.00 0.00 H new ATOM 0 HA SER A 112 5.954 -6.216 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.533 -4.010 8.782 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.159 -4.745 9.583 1.00 0.00 H new ATOM 0 HG SER A 112 5.918 -2.842 10.530 1.00 0.00 H new ATOM 1560 N ILE A 113 5.963 -7.091 7.763 1.00 0.00 N ATOM 1561 CA ILE A 113 5.357 -8.030 6.797 1.00 0.00 C ATOM 1562 C ILE A 113 5.935 -9.457 6.941 1.00 0.00 C ATOM 1563 O ILE A 113 5.226 -10.446 7.127 1.00 0.00 O ATOM 1564 CB ILE A 113 5.149 -7.564 5.350 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.164 -8.038 4.320 1.00 0.00 C ATOM 1566 CG2 ILE A 113 5.013 -6.049 5.256 1.00 0.00 C ATOM 1567 CD1 ILE A 113 7.585 -7.585 4.600 1.00 0.00 C ATOM 0 H ILE A 113 6.834 -6.658 7.454 1.00 0.00 H new ATOM 0 HA ILE A 113 4.314 -8.057 7.112 1.00 0.00 H new ATOM 0 HB ILE A 113 4.216 -8.060 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.142 -9.127 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.865 -7.675 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.867 -5.761 4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.156 -5.723 5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.918 -5.578 5.640 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.248 -7.963 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.624 -6.496 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.906 -7.970 5.568 1.00 0.00 H new ATOM 1579 N GLU A 114 7.255 -9.470 7.097 1.00 0.00 N ATOM 1580 CA GLU A 114 8.077 -10.697 7.168 1.00 0.00 C ATOM 1581 C GLU A 114 7.734 -11.591 8.358 1.00 0.00 C ATOM 1582 O GLU A 114 7.716 -12.805 8.245 1.00 0.00 O ATOM 1583 CB GLU A 114 9.570 -10.359 7.142 1.00 0.00 C ATOM 1584 CG GLU A 114 9.835 -9.815 5.740 1.00 0.00 C ATOM 1585 CD GLU A 114 11.150 -10.364 5.169 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.059 -11.318 4.370 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.194 -9.757 5.501 1.00 0.00 O ATOM 0 H GLU A 114 7.805 -8.615 7.180 1.00 0.00 H new ATOM 0 HA GLU A 114 7.834 -11.277 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.820 -9.621 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.177 -11.242 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.009 -10.084 5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.876 -8.726 5.772 1.00 0.00 H new ATOM 1595 N LYS A 115 7.273 -10.895 9.385 1.00 0.00 N ATOM 1596 CA LYS A 115 6.681 -11.389 10.633 1.00 0.00 C ATOM 1597 C LYS A 115 5.773 -12.625 10.443 1.00 0.00 C ATOM 1598 O LYS A 115 5.856 -13.588 11.202 1.00 0.00 O ATOM 1599 CB LYS A 115 5.894 -10.169 11.087 1.00 0.00 C ATOM 1600 CG LYS A 115 5.265 -10.299 12.468 1.00 0.00 C ATOM 1601 CD LYS A 115 4.380 -9.088 12.768 1.00 0.00 C ATOM 1602 CE LYS A 115 5.162 -7.805 13.087 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.859 -7.973 14.362 1.00 0.00 N ATOM 0 H LYS A 115 7.303 -9.876 9.372 1.00 0.00 H new ATOM 0 HA LYS A 115 7.423 -11.747 11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.557 -9.304 11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.106 -9.970 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.672 -11.212 12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.046 -10.383 13.224 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.733 -8.903 11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.732 -9.325 13.612 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.878 -7.594 12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.483 -6.954 13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.161 -7.044 14.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.219 -8.416 15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.693 -8.579 14.225 1.00 0.00 H new ATOM 1617 N TYR A 116 4.900 -12.561 9.434 1.00 0.00 N ATOM 1618 CA TYR A 116 3.970 -13.657 9.113 1.00 0.00 C ATOM 1619 C TYR A 116 4.339 -14.509 7.885 1.00 0.00 C ATOM 1620 O TYR A 116 4.086 -15.714 7.898 1.00 0.00 O ATOM 1621 CB TYR A 116 2.508 -13.182 9.032 1.00 0.00 C ATOM 1622 CG TYR A 116 2.360 -11.857 8.279 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.275 -11.871 6.872 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.338 -10.675 9.039 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.173 -10.648 6.201 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.228 -9.448 8.366 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.160 -9.472 6.964 1.00 0.00 C ATOM 1628 OH TYR A 116 2.101 -8.289 6.308 1.00 0.00 O ATOM 0 H TYR A 116 4.815 -11.754 8.817 1.00 0.00 H new ATOM 0 HA TYR A 116 4.076 -14.329 9.964 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.909 -13.946 8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.110 -13.069 10.041 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.288 -12.803 6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.404 -10.710 10.116 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.106 -10.611 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.197 -8.515 8.909 1.00 0.00 H new ATOM 0 HH TYR A 116 2.076 -8.452 5.342 1.00 0.00 H new ATOM 1638 N LEU A 117 4.975 -13.917 6.877 1.00 0.00 N ATOM 1639 CA LEU A 117 5.510 -14.683 5.731 1.00 0.00 C ATOM 1640 C LEU A 117 6.950 -15.148 6.003 1.00 0.00 C ATOM 1641 O LEU A 117 7.851 -15.182 5.162 1.00 0.00 O ATOM 1642 CB LEU A 117 5.335 -13.939 4.404 1.00 0.00 C ATOM 1643 CG LEU A 117 5.945 -12.531 4.351 1.00 0.00 C ATOM 1644 CD1 LEU A 117 7.380 -12.537 3.792 1.00 0.00 C ATOM 1645 CD2 LEU A 117 5.088 -11.670 3.434 1.00 0.00 C ATOM 0 H LEU A 117 5.137 -12.912 6.821 1.00 0.00 H new ATOM 0 HA LEU A 117 4.915 -15.590 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.779 -14.539 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.269 -13.863 4.188 1.00 0.00 H new ATOM 0 HG LEU A 117 5.976 -12.143 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.768 -11.519 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.015 -13.156 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.374 -12.941 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.506 -10.665 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.072 -12.107 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.072 -11.621 3.825 1.00 0.00 H new TER 1657 LEU A 117