USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 762 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 64 ASN : amide:sc= -0.719 K(o=-0.72,f=-9!) USER MOD Set 1.2: A 66 SER OG : rot 180:sc=-0.000953 USER MOD Set 2.1: A 15 ASN : amide:sc= 1.96 K(o=1.5,f=-1) USER MOD Set 2.2: A 25 GLN : amide:sc= -0.0443 K(o=1.5,f=2.3) USER MOD Set 2.3: A 43 CYS SG : rot 70:sc= -0.445 USER MOD Set 3.1: A 13 ASN : amide:sc= 2.21 K(o=3.5,f=-10!) USER MOD Set 3.2: A 17 TYR OH : rot 30:sc= 1.08 USER MOD Set 3.3: A 73 LYS NZ :NH3+ -151:sc= 0.187! (180deg=-4.73!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.999 (180deg=0.884) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 145:sc= -1.96! (180deg=-4.24!) USER MOD Single : A 6 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.097) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.12) USER MOD Single : A 11 SER OG : rot -84:sc= 1.16 USER MOD Single : A 16 SER OG : rot 76:sc= 1.26 USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 1.07 (180deg=-0.0356) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -171:sc=-0.00177 (180deg=-0.104) USER MOD Single : A 24 THR OG1 : rot -95:sc= 1.25 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= -0.0468 (180deg=-0.356) USER MOD Single : A 31 SER OG : rot -139:sc= 0.578 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.779 K(o=-0.78,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0347 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 41 THR OG1 : rot 6:sc= 1.2 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.135) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.162 (180deg=-0.755) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.48 K(o=0.48,f=-0.047) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.255 K(o=-0.25,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= -1.3 (180deg=-3.84!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 78:sc= 0.0775 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 89 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.02) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.00066) USER MOD Single : A 91 HIS : no HD1:sc=-0.00924 X(o=-0.0092,f=-0.056) USER MOD Single : A 92 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.0585 X(o=-0.058,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.696 11.957 0.590 1.00 0.00 N ATOM 2 CA MET A 1 16.448 11.077 1.515 1.00 0.00 C ATOM 3 C MET A 1 16.152 11.440 2.971 1.00 0.00 C ATOM 4 O MET A 1 16.246 10.593 3.861 1.00 0.00 O ATOM 5 CB MET A 1 17.952 11.180 1.242 1.00 0.00 C ATOM 6 CG MET A 1 18.781 10.124 1.961 1.00 0.00 C ATOM 7 SD MET A 1 18.391 8.447 1.418 1.00 0.00 S ATOM 8 CE MET A 1 19.501 7.493 2.452 1.00 0.00 C ATOM 0 H1 MET A 1 15.859 11.650 -0.390 1.00 0.00 H new ATOM 0 H2 MET A 1 14.680 11.901 0.806 1.00 0.00 H new ATOM 0 H3 MET A 1 16.021 12.938 0.704 1.00 0.00 H new ATOM 0 HA MET A 1 16.127 10.049 1.344 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.124 11.095 0.169 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.300 12.168 1.543 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.840 10.320 1.790 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.611 10.203 3.035 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.379 6.432 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.531 7.789 2.250 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.269 7.677 3.501 1.00 0.00 H new ATOM 20 N VAL A 2 15.794 12.701 3.216 1.00 0.00 N ATOM 21 CA VAL A 2 15.493 13.155 4.571 1.00 0.00 C ATOM 22 C VAL A 2 14.090 12.718 4.988 1.00 0.00 C ATOM 23 O VAL A 2 13.927 11.860 5.860 1.00 0.00 O ATOM 24 CB VAL A 2 15.612 14.693 4.702 1.00 0.00 C ATOM 25 CG1 VAL A 2 15.348 15.135 6.135 1.00 0.00 C ATOM 26 CG2 VAL A 2 16.981 15.168 4.243 1.00 0.00 C ATOM 0 H VAL A 2 15.706 13.421 2.498 1.00 0.00 H new ATOM 0 HA VAL A 2 16.229 12.696 5.231 1.00 0.00 H new ATOM 0 HB VAL A 2 14.858 15.146 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.437 16.219 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.343 14.834 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 2 16.075 14.669 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.043 16.252 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.752 14.702 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.131 14.891 3.199 1.00 0.00 H new ATOM 36 N LYS A 3 13.078 13.300 4.361 1.00 0.00 N ATOM 37 CA LYS A 3 11.701 12.958 4.679 1.00 0.00 C ATOM 38 C LYS A 3 11.134 11.989 3.647 1.00 0.00 C ATOM 39 O LYS A 3 10.343 12.354 2.774 1.00 0.00 O ATOM 40 CB LYS A 3 10.829 14.215 4.822 1.00 0.00 C ATOM 41 CG LYS A 3 10.974 15.220 3.689 1.00 0.00 C ATOM 42 CD LYS A 3 10.157 16.475 3.951 1.00 0.00 C ATOM 43 CE LYS A 3 10.628 17.199 5.203 1.00 0.00 C ATOM 44 NZ LYS A 3 9.815 18.411 5.490 1.00 0.00 N ATOM 0 H LYS A 3 13.184 14.007 3.633 1.00 0.00 H new ATOM 0 HA LYS A 3 11.692 12.455 5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.784 13.911 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 3 11.078 14.708 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.024 15.486 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.652 14.764 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.232 17.144 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.105 16.209 4.058 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.578 16.520 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.673 17.484 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.171 18.872 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.883 19.072 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.821 18.137 5.630 1.00 0.00 H new ATOM 58 N ASP A 4 11.577 10.746 3.753 1.00 0.00 N ATOM 59 CA ASP A 4 11.136 9.680 2.860 1.00 0.00 C ATOM 60 C ASP A 4 10.401 8.613 3.647 1.00 0.00 C ATOM 61 O ASP A 4 10.313 7.461 3.226 1.00 0.00 O ATOM 62 CB ASP A 4 12.328 9.065 2.122 1.00 0.00 C ATOM 63 CG ASP A 4 12.843 9.956 1.016 1.00 0.00 C ATOM 64 OD1 ASP A 4 13.392 11.032 1.318 1.00 0.00 O ATOM 65 OD2 ASP A 4 12.695 9.587 -0.165 1.00 0.00 O ATOM 0 H ASP A 4 12.251 10.446 4.458 1.00 0.00 H new ATOM 0 HA ASP A 4 10.458 10.107 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.131 8.872 2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.035 8.103 1.703 1.00 0.00 H new ATOM 70 N LYS A 5 9.850 9.019 4.783 1.00 0.00 N ATOM 71 CA LYS A 5 9.109 8.115 5.650 1.00 0.00 C ATOM 72 C LYS A 5 7.903 7.535 4.912 1.00 0.00 C ATOM 73 O LYS A 5 7.421 6.448 5.235 1.00 0.00 O ATOM 74 CB LYS A 5 8.672 8.861 6.914 1.00 0.00 C ATOM 75 CG LYS A 5 8.047 7.970 7.975 1.00 0.00 C ATOM 76 CD LYS A 5 7.790 8.721 9.278 1.00 0.00 C ATOM 77 CE LYS A 5 9.072 8.981 10.068 1.00 0.00 C ATOM 78 NZ LYS A 5 9.932 10.035 9.458 1.00 0.00 N ATOM 0 H LYS A 5 9.904 9.978 5.127 1.00 0.00 H new ATOM 0 HA LYS A 5 9.753 7.284 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.538 9.366 7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.956 9.635 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.107 7.565 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.705 7.123 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.305 9.672 9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.098 8.147 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.812 9.276 11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.641 8.054 10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.401 10.579 10.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.651 9.589 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.345 10.673 8.884 1.00 0.00 H new ATOM 92 N GLN A 6 7.436 8.268 3.903 1.00 0.00 N ATOM 93 CA GLN A 6 6.343 7.816 3.051 1.00 0.00 C ATOM 94 C GLN A 6 6.713 6.503 2.360 1.00 0.00 C ATOM 95 O GLN A 6 5.867 5.635 2.161 1.00 0.00 O ATOM 96 CB GLN A 6 6.036 8.883 1.998 1.00 0.00 C ATOM 97 CG GLN A 6 4.561 9.008 1.643 1.00 0.00 C ATOM 98 CD GLN A 6 3.739 9.568 2.788 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.605 10.781 2.930 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.161 8.695 3.596 1.00 0.00 N ATOM 0 H GLN A 6 7.804 9.187 3.656 1.00 0.00 H new ATOM 0 HA GLN A 6 5.461 7.650 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.393 9.847 2.360 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.597 8.655 1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.453 9.653 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.172 8.028 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.295 7.695 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.581 9.022 4.369 1.00 0.00 H new ATOM 109 N LYS A 7 7.994 6.360 2.016 1.00 0.00 N ATOM 110 CA LYS A 7 8.480 5.168 1.326 1.00 0.00 C ATOM 111 C LYS A 7 8.493 3.955 2.255 1.00 0.00 C ATOM 112 O LYS A 7 8.344 2.818 1.807 1.00 0.00 O ATOM 113 CB LYS A 7 9.885 5.406 0.759 1.00 0.00 C ATOM 114 CG LYS A 7 9.925 6.417 -0.379 1.00 0.00 C ATOM 115 CD LYS A 7 11.322 6.537 -0.971 1.00 0.00 C ATOM 116 CE LYS A 7 11.335 7.410 -2.219 1.00 0.00 C ATOM 117 NZ LYS A 7 10.965 8.819 -1.928 1.00 0.00 N ATOM 0 H LYS A 7 8.714 7.058 2.205 1.00 0.00 H new ATOM 0 HA LYS A 7 7.795 4.963 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.537 5.750 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.289 4.458 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.223 6.118 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.599 7.391 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.997 6.958 -0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.699 5.544 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.328 7.383 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.642 6.999 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.037 9.384 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.988 8.855 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.610 9.206 -1.210 1.00 0.00 H new ATOM 131 N ALA A 8 8.670 4.202 3.546 1.00 0.00 N ATOM 132 CA ALA A 8 8.646 3.133 4.536 1.00 0.00 C ATOM 133 C ALA A 8 7.233 2.590 4.684 1.00 0.00 C ATOM 134 O ALA A 8 7.026 1.383 4.799 1.00 0.00 O ATOM 135 CB ALA A 8 9.176 3.629 5.874 1.00 0.00 C ATOM 0 H ALA A 8 8.832 5.132 3.932 1.00 0.00 H new ATOM 0 HA ALA A 8 9.294 2.326 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.150 2.816 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.203 3.975 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.555 4.452 6.229 1.00 0.00 H new ATOM 141 N ILE A 9 6.262 3.493 4.660 1.00 0.00 N ATOM 142 CA ILE A 9 4.861 3.104 4.716 1.00 0.00 C ATOM 143 C ILE A 9 4.478 2.356 3.441 1.00 0.00 C ATOM 144 O ILE A 9 3.826 1.310 3.491 1.00 0.00 O ATOM 145 CB ILE A 9 3.944 4.333 4.889 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.349 5.128 6.135 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.486 3.904 4.979 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.544 6.395 6.341 1.00 0.00 C ATOM 0 H ILE A 9 6.419 4.499 4.602 1.00 0.00 H new ATOM 0 HA ILE A 9 4.727 2.453 5.580 1.00 0.00 H new ATOM 0 HB ILE A 9 4.058 4.976 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.238 4.491 7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.405 5.388 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.855 4.784 5.101 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.204 3.379 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.354 3.242 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.889 6.903 7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.674 7.053 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.489 6.142 6.448 1.00 0.00 H new ATOM 160 N PHE A 10 4.918 2.895 2.308 1.00 0.00 N ATOM 161 CA PHE A 10 4.664 2.299 1.001 1.00 0.00 C ATOM 162 C PHE A 10 5.149 0.853 0.952 1.00 0.00 C ATOM 163 O PHE A 10 4.389 -0.061 0.623 1.00 0.00 O ATOM 164 CB PHE A 10 5.359 3.132 -0.084 1.00 0.00 C ATOM 165 CG PHE A 10 5.245 2.564 -1.472 1.00 0.00 C ATOM 166 CD1 PHE A 10 4.090 2.743 -2.215 1.00 0.00 C ATOM 167 CD2 PHE A 10 6.299 1.861 -2.035 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.988 2.227 -3.493 1.00 0.00 C ATOM 169 CE2 PHE A 10 6.201 1.343 -3.310 1.00 0.00 C ATOM 170 CZ PHE A 10 5.045 1.527 -4.041 1.00 0.00 C ATOM 0 H PHE A 10 5.461 3.758 2.270 1.00 0.00 H new ATOM 0 HA PHE A 10 3.589 2.295 0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.936 4.137 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.415 3.229 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.261 3.291 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.207 1.717 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.082 2.371 -4.063 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.028 0.794 -3.736 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.967 1.124 -5.040 1.00 0.00 H new ATOM 180 N SER A 11 6.411 0.653 1.298 1.00 0.00 N ATOM 181 CA SER A 11 7.019 -0.665 1.229 1.00 0.00 C ATOM 182 C SER A 11 6.374 -1.637 2.211 1.00 0.00 C ATOM 183 O SER A 11 6.045 -2.765 1.844 1.00 0.00 O ATOM 184 CB SER A 11 8.522 -0.562 1.482 1.00 0.00 C ATOM 185 OG SER A 11 8.796 0.230 2.625 1.00 0.00 O ATOM 0 H SER A 11 7.035 1.389 1.630 1.00 0.00 H new ATOM 0 HA SER A 11 6.852 -1.059 0.227 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.940 -1.559 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.011 -0.128 0.610 1.00 0.00 H new ATOM 0 HG SER A 11 8.797 1.177 2.374 1.00 0.00 H new ATOM 191 N GLU A 12 6.175 -1.201 3.451 1.00 0.00 N ATOM 192 CA GLU A 12 5.623 -2.073 4.482 1.00 0.00 C ATOM 193 C GLU A 12 4.229 -2.574 4.091 1.00 0.00 C ATOM 194 O GLU A 12 3.914 -3.753 4.264 1.00 0.00 O ATOM 195 CB GLU A 12 5.576 -1.348 5.829 1.00 0.00 C ATOM 196 CG GLU A 12 5.368 -2.282 7.011 1.00 0.00 C ATOM 197 CD GLU A 12 6.475 -3.313 7.133 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.416 -4.344 6.431 1.00 0.00 O ATOM 199 OE2 GLU A 12 7.418 -3.096 7.925 1.00 0.00 O ATOM 0 H GLU A 12 6.386 -0.254 3.765 1.00 0.00 H new ATOM 0 HA GLU A 12 6.277 -2.939 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.506 -0.798 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.771 -0.613 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.317 -1.697 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.410 -2.791 6.904 1.00 0.00 H new ATOM 206 N ASN A 13 3.404 -1.685 3.547 1.00 0.00 N ATOM 207 CA ASN A 13 2.076 -2.073 3.073 1.00 0.00 C ATOM 208 C ASN A 13 2.190 -3.061 1.923 1.00 0.00 C ATOM 209 O ASN A 13 1.476 -4.066 1.879 1.00 0.00 O ATOM 210 CB ASN A 13 1.263 -0.855 2.620 1.00 0.00 C ATOM 211 CG ASN A 13 0.581 -0.136 3.770 1.00 0.00 C ATOM 212 OD1 ASN A 13 -0.535 -0.478 4.159 1.00 0.00 O ATOM 213 ND2 ASN A 13 1.236 0.874 4.312 1.00 0.00 N ATOM 0 H ASN A 13 3.627 -0.697 3.423 1.00 0.00 H new ATOM 0 HA ASN A 13 1.557 -2.543 3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.922 -0.158 2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.509 -1.175 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.818 1.400 5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.160 1.129 3.963 1.00 0.00 H new ATOM 220 N LEU A 14 3.108 -2.776 1.005 1.00 0.00 N ATOM 221 CA LEU A 14 3.324 -3.623 -0.157 1.00 0.00 C ATOM 222 C LEU A 14 3.720 -5.037 0.274 1.00 0.00 C ATOM 223 O LEU A 14 3.102 -6.014 -0.150 1.00 0.00 O ATOM 224 CB LEU A 14 4.410 -3.009 -1.050 1.00 0.00 C ATOM 225 CG LEU A 14 4.585 -3.665 -2.419 1.00 0.00 C ATOM 226 CD1 LEU A 14 3.318 -3.520 -3.246 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.772 -3.058 -3.150 1.00 0.00 C ATOM 0 H LEU A 14 3.717 -1.959 1.047 1.00 0.00 H new ATOM 0 HA LEU A 14 2.395 -3.690 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.180 -1.954 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.361 -3.056 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 14 4.778 -4.728 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.461 -3.993 -4.217 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.488 -4.000 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.095 -2.463 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.883 -3.536 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.607 -1.989 -3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.678 -3.213 -2.564 1.00 0.00 H new ATOM 239 N ASN A 15 4.727 -5.135 1.143 1.00 0.00 N ATOM 240 CA ASN A 15 5.213 -6.431 1.630 1.00 0.00 C ATOM 241 C ASN A 15 4.089 -7.242 2.260 1.00 0.00 C ATOM 242 O ASN A 15 3.945 -8.435 1.995 1.00 0.00 O ATOM 243 CB ASN A 15 6.331 -6.244 2.666 1.00 0.00 C ATOM 244 CG ASN A 15 7.676 -5.908 2.053 1.00 0.00 C ATOM 245 OD1 ASN A 15 8.458 -6.795 1.709 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.967 -4.626 1.931 1.00 0.00 N ATOM 0 H ASN A 15 5.224 -4.331 1.526 1.00 0.00 H new ATOM 0 HA ASN A 15 5.603 -6.970 0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.047 -5.449 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.427 -7.157 3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.865 -4.342 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.293 -3.920 2.227 1.00 0.00 H new ATOM 253 N SER A 16 3.290 -6.583 3.089 1.00 0.00 N ATOM 254 CA SER A 16 2.222 -7.250 3.823 1.00 0.00 C ATOM 255 C SER A 16 1.203 -7.903 2.885 1.00 0.00 C ATOM 256 O SER A 16 0.768 -9.031 3.121 1.00 0.00 O ATOM 257 CB SER A 16 1.531 -6.251 4.750 1.00 0.00 C ATOM 258 OG SER A 16 2.473 -5.637 5.619 1.00 0.00 O ATOM 0 H SER A 16 3.362 -5.582 3.271 1.00 0.00 H new ATOM 0 HA SER A 16 2.670 -8.047 4.416 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.024 -5.489 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.766 -6.760 5.336 1.00 0.00 H new ATOM 0 HG SER A 16 2.985 -4.965 5.123 1.00 0.00 H new ATOM 264 N TYR A 17 0.836 -7.208 1.815 1.00 0.00 N ATOM 265 CA TYR A 17 -0.146 -7.740 0.876 1.00 0.00 C ATOM 266 C TYR A 17 0.461 -8.837 0.012 1.00 0.00 C ATOM 267 O TYR A 17 -0.187 -9.843 -0.278 1.00 0.00 O ATOM 268 CB TYR A 17 -0.705 -6.633 -0.022 1.00 0.00 C ATOM 269 CG TYR A 17 -1.509 -5.585 0.716 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.244 -5.914 1.848 1.00 0.00 C ATOM 271 CD2 TYR A 17 -1.542 -4.269 0.271 1.00 0.00 C ATOM 272 CE1 TYR A 17 -2.987 -4.962 2.517 1.00 0.00 C ATOM 273 CE2 TYR A 17 -2.282 -3.310 0.937 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.002 -3.662 2.059 1.00 0.00 C ATOM 275 OH TYR A 17 -3.745 -2.712 2.724 1.00 0.00 O ATOM 0 H TYR A 17 1.198 -6.285 1.577 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.960 -8.163 1.464 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.123 -6.145 -0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.334 -7.085 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.234 -6.931 2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.981 -3.991 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.554 -5.235 3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.296 -2.291 0.580 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.795 -2.942 3.675 1.00 0.00 H new ATOM 285 N ILE A 18 1.709 -8.642 -0.385 1.00 0.00 N ATOM 286 CA ILE A 18 2.402 -9.594 -1.242 1.00 0.00 C ATOM 287 C ILE A 18 2.668 -10.906 -0.509 1.00 0.00 C ATOM 288 O ILE A 18 2.393 -11.982 -1.034 1.00 0.00 O ATOM 289 CB ILE A 18 3.737 -9.006 -1.754 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.473 -7.764 -2.607 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.518 -10.037 -2.553 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.735 -7.086 -3.082 1.00 0.00 C ATOM 0 H ILE A 18 2.266 -7.828 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 18 1.753 -9.795 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 18 4.337 -8.723 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.873 -8.047 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.883 -7.053 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.452 -9.596 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.736 -10.898 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.926 -10.357 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.476 -6.213 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.326 -6.773 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.316 -7.782 -3.687 1.00 0.00 H new ATOM 304 N ALA A 19 3.182 -10.815 0.712 1.00 0.00 N ATOM 305 CA ALA A 19 3.535 -12.003 1.482 1.00 0.00 C ATOM 306 C ALA A 19 2.294 -12.791 1.888 1.00 0.00 C ATOM 307 O ALA A 19 2.359 -14.002 2.105 1.00 0.00 O ATOM 308 CB ALA A 19 4.344 -11.619 2.712 1.00 0.00 C ATOM 0 H ALA A 19 3.364 -9.932 1.190 1.00 0.00 H new ATOM 0 HA ALA A 19 4.145 -12.643 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.599 -12.517 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.258 -11.113 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.755 -10.952 3.341 1.00 0.00 H new ATOM 314 N LYS A 20 1.160 -12.108 1.974 1.00 0.00 N ATOM 315 CA LYS A 20 -0.083 -12.748 2.377 1.00 0.00 C ATOM 316 C LYS A 20 -0.718 -13.468 1.193 1.00 0.00 C ATOM 317 O LYS A 20 -1.537 -14.373 1.361 1.00 0.00 O ATOM 318 CB LYS A 20 -1.043 -11.704 2.936 1.00 0.00 C ATOM 319 CG LYS A 20 -2.065 -12.271 3.904 1.00 0.00 C ATOM 320 CD LYS A 20 -2.812 -11.168 4.634 1.00 0.00 C ATOM 321 CE LYS A 20 -3.786 -11.734 5.655 1.00 0.00 C ATOM 322 NZ LYS A 20 -3.116 -12.631 6.634 1.00 0.00 N ATOM 0 H LYS A 20 1.076 -11.112 1.770 1.00 0.00 H new ATOM 0 HA LYS A 20 0.134 -13.484 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.468 -10.928 3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.566 -11.225 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.775 -12.895 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.564 -12.914 4.628 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.098 -10.514 5.135 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.354 -10.556 3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.269 -10.914 6.187 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.572 -12.285 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.684 -12.681 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.023 -13.583 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.172 -12.257 6.858 1.00 0.00 H new ATOM 336 N SER A 21 -0.328 -13.055 -0.002 1.00 0.00 N ATOM 337 CA SER A 21 -0.817 -13.671 -1.229 1.00 0.00 C ATOM 338 C SER A 21 -0.024 -14.943 -1.537 1.00 0.00 C ATOM 339 O SER A 21 1.082 -15.138 -1.029 1.00 0.00 O ATOM 340 CB SER A 21 -0.717 -12.681 -2.397 1.00 0.00 C ATOM 341 OG SER A 21 -1.360 -13.183 -3.558 1.00 0.00 O ATOM 0 H SER A 21 0.330 -12.290 -0.151 1.00 0.00 H new ATOM 0 HA SER A 21 -1.864 -13.941 -1.092 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.169 -11.731 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.332 -12.481 -2.618 1.00 0.00 H new ATOM 0 HG SER A 21 -1.281 -12.530 -4.284 1.00 0.00 H new ATOM 347 N GLU A 22 -0.594 -15.810 -2.369 1.00 0.00 N ATOM 348 CA GLU A 22 0.050 -17.067 -2.721 1.00 0.00 C ATOM 349 C GLU A 22 1.169 -16.826 -3.733 1.00 0.00 C ATOM 350 O GLU A 22 2.209 -17.487 -3.696 1.00 0.00 O ATOM 351 CB GLU A 22 -0.980 -18.050 -3.287 1.00 0.00 C ATOM 352 CG GLU A 22 -0.459 -19.469 -3.448 1.00 0.00 C ATOM 353 CD GLU A 22 -0.496 -19.952 -4.884 1.00 0.00 C ATOM 354 OE1 GLU A 22 -1.590 -20.330 -5.363 1.00 0.00 O ATOM 355 OE2 GLU A 22 0.570 -19.972 -5.534 1.00 0.00 O ATOM 0 H GLU A 22 -1.501 -15.663 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 22 0.486 -17.500 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.850 -18.066 -2.631 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.319 -17.686 -4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.566 -19.518 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.053 -20.141 -2.829 1.00 0.00 H new ATOM 362 N LYS A 23 0.957 -15.857 -4.612 1.00 0.00 N ATOM 363 CA LYS A 23 1.926 -15.525 -5.641 1.00 0.00 C ATOM 364 C LYS A 23 3.084 -14.732 -5.048 1.00 0.00 C ATOM 365 O LYS A 23 2.910 -14.006 -4.069 1.00 0.00 O ATOM 366 CB LYS A 23 1.249 -14.731 -6.759 1.00 0.00 C ATOM 367 CG LYS A 23 0.642 -15.597 -7.857 1.00 0.00 C ATOM 368 CD LYS A 23 -0.429 -16.539 -7.323 1.00 0.00 C ATOM 369 CE LYS A 23 -0.976 -17.441 -8.419 1.00 0.00 C ATOM 370 NZ LYS A 23 -1.671 -16.665 -9.483 1.00 0.00 N ATOM 0 H LYS A 23 0.114 -15.283 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 23 2.325 -16.449 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.465 -14.110 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.980 -14.057 -7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.209 -14.956 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.430 -16.179 -8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.011 -17.150 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.243 -15.958 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.159 -18.011 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.669 -18.161 -7.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.159 -17.319 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.366 -16.025 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.974 -16.108 -10.017 1.00 0.00 H new ATOM 384 N THR A 24 4.263 -14.875 -5.636 1.00 0.00 N ATOM 385 CA THR A 24 5.451 -14.228 -5.105 1.00 0.00 C ATOM 386 C THR A 24 5.635 -12.834 -5.677 1.00 0.00 C ATOM 387 O THR A 24 4.925 -12.420 -6.600 1.00 0.00 O ATOM 388 CB THR A 24 6.724 -15.048 -5.391 1.00 0.00 C ATOM 389 OG1 THR A 24 6.972 -15.100 -6.804 1.00 0.00 O ATOM 390 CG2 THR A 24 6.596 -16.454 -4.828 1.00 0.00 C ATOM 0 H THR A 24 4.421 -15.431 -6.477 1.00 0.00 H new ATOM 0 HA THR A 24 5.300 -14.159 -4.028 1.00 0.00 H new ATOM 0 HB THR A 24 7.566 -14.558 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.590 -15.924 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.506 -17.015 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.446 -16.402 -3.750 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.744 -16.954 -5.289 1.00 0.00 H new ATOM 398 N GLN A 25 6.601 -12.119 -5.116 1.00 0.00 N ATOM 399 CA GLN A 25 7.006 -10.815 -5.619 1.00 0.00 C ATOM 400 C GLN A 25 7.371 -10.908 -7.094 1.00 0.00 C ATOM 401 O GLN A 25 7.075 -10.010 -7.879 1.00 0.00 O ATOM 402 CB GLN A 25 8.209 -10.312 -4.822 1.00 0.00 C ATOM 403 CG GLN A 25 7.919 -10.112 -3.344 1.00 0.00 C ATOM 404 CD GLN A 25 9.164 -9.797 -2.540 1.00 0.00 C ATOM 405 OE1 GLN A 25 9.849 -10.699 -2.061 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.450 -8.518 -2.375 1.00 0.00 N ATOM 0 H GLN A 25 7.126 -12.428 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 25 6.175 -10.118 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.029 -11.022 -4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.548 -9.368 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.200 -9.301 -3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.452 -11.012 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.852 -7.804 -2.791 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.268 -8.244 -1.831 1.00 0.00 H new ATOM 415 N LEU A 26 7.993 -12.020 -7.456 1.00 0.00 N ATOM 416 CA LEU A 26 8.442 -12.247 -8.823 1.00 0.00 C ATOM 417 C LEU A 26 7.245 -12.407 -9.761 1.00 0.00 C ATOM 418 O LEU A 26 7.266 -11.921 -10.893 1.00 0.00 O ATOM 419 CB LEU A 26 9.336 -13.488 -8.886 1.00 0.00 C ATOM 420 CG LEU A 26 10.687 -13.284 -9.581 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.538 -14.538 -9.474 1.00 0.00 C ATOM 422 CD2 LEU A 26 10.490 -12.900 -11.042 1.00 0.00 C ATOM 0 H LEU A 26 8.200 -12.786 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 26 9.020 -11.381 -9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.517 -13.838 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.795 -14.280 -9.404 1.00 0.00 H new ATOM 0 HG LEU A 26 11.207 -12.468 -9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.493 -14.373 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.713 -14.770 -8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.019 -15.371 -9.948 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.462 -12.760 -11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.946 -13.692 -11.556 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.921 -11.972 -11.101 1.00 0.00 H new ATOM 434 N GLU A 27 6.205 -13.086 -9.285 1.00 0.00 N ATOM 435 CA GLU A 27 4.982 -13.247 -10.059 1.00 0.00 C ATOM 436 C GLU A 27 4.303 -11.904 -10.281 1.00 0.00 C ATOM 437 O GLU A 27 3.949 -11.557 -11.407 1.00 0.00 O ATOM 438 CB GLU A 27 4.015 -14.205 -9.361 1.00 0.00 C ATOM 439 CG GLU A 27 4.148 -15.656 -9.794 1.00 0.00 C ATOM 440 CD GLU A 27 5.446 -16.286 -9.345 1.00 0.00 C ATOM 441 OE1 GLU A 27 5.518 -16.724 -8.178 1.00 0.00 O ATOM 442 OE2 GLU A 27 6.396 -16.358 -10.156 1.00 0.00 O ATOM 0 H GLU A 27 6.186 -13.532 -8.368 1.00 0.00 H new ATOM 0 HA GLU A 27 5.256 -13.669 -11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.175 -14.143 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.994 -13.874 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.313 -16.229 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.078 -15.714 -10.880 1.00 0.00 H new ATOM 449 N ILE A 28 4.135 -11.149 -9.202 1.00 0.00 N ATOM 450 CA ILE A 28 3.479 -9.849 -9.271 1.00 0.00 C ATOM 451 C ILE A 28 4.264 -8.884 -10.158 1.00 0.00 C ATOM 452 O ILE A 28 3.685 -8.192 -10.992 1.00 0.00 O ATOM 453 CB ILE A 28 3.299 -9.235 -7.866 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.475 -10.179 -6.983 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.630 -7.870 -7.960 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.259 -9.669 -5.572 1.00 0.00 C ATOM 0 H ILE A 28 4.445 -11.415 -8.267 1.00 0.00 H new ATOM 0 HA ILE A 28 2.494 -10.009 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 28 4.282 -9.101 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.505 -10.344 -7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.975 -11.146 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.512 -7.453 -6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.248 -7.203 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.651 -7.976 -8.427 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.668 -10.392 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.224 -9.531 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.730 -8.717 -5.606 1.00 0.00 H new ATOM 468 N ALA A 29 5.584 -8.864 -9.994 1.00 0.00 N ATOM 469 CA ALA A 29 6.443 -7.988 -10.788 1.00 0.00 C ATOM 470 C ALA A 29 6.304 -8.287 -12.277 1.00 0.00 C ATOM 471 O ALA A 29 6.206 -7.374 -13.099 1.00 0.00 O ATOM 472 CB ALA A 29 7.895 -8.134 -10.355 1.00 0.00 C ATOM 0 H ALA A 29 6.083 -9.444 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 29 6.126 -6.959 -10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.522 -7.475 -10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.990 -7.865 -9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.215 -9.167 -10.496 1.00 0.00 H new ATOM 478 N LYS A 30 6.289 -9.571 -12.612 1.00 0.00 N ATOM 479 CA LYS A 30 6.135 -10.002 -13.996 1.00 0.00 C ATOM 480 C LYS A 30 4.734 -9.682 -14.509 1.00 0.00 C ATOM 481 O LYS A 30 4.562 -9.280 -15.659 1.00 0.00 O ATOM 482 CB LYS A 30 6.421 -11.501 -14.114 1.00 0.00 C ATOM 483 CG LYS A 30 6.076 -12.094 -15.471 1.00 0.00 C ATOM 484 CD LYS A 30 6.540 -13.537 -15.570 1.00 0.00 C ATOM 485 CE LYS A 30 5.888 -14.259 -16.736 1.00 0.00 C ATOM 486 NZ LYS A 30 4.428 -14.439 -16.521 1.00 0.00 N ATOM 0 H LYS A 30 6.382 -10.334 -11.942 1.00 0.00 H new ATOM 0 HA LYS A 30 6.852 -9.458 -14.611 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.478 -11.675 -13.911 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.858 -12.029 -13.345 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.999 -12.043 -15.631 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.543 -11.503 -16.259 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.624 -13.564 -15.686 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.306 -14.059 -14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.054 -13.694 -17.653 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.359 -15.233 -16.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.081 -15.214 -17.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.250 -14.669 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.930 -13.560 -16.768 1.00 0.00 H new ATOM 500 N SER A 31 3.740 -9.851 -13.645 1.00 0.00 N ATOM 501 CA SER A 31 2.357 -9.556 -13.993 1.00 0.00 C ATOM 502 C SER A 31 2.204 -8.075 -14.349 1.00 0.00 C ATOM 503 O SER A 31 1.539 -7.727 -15.328 1.00 0.00 O ATOM 504 CB SER A 31 1.428 -9.929 -12.828 1.00 0.00 C ATOM 505 OG SER A 31 0.063 -9.890 -13.215 1.00 0.00 O ATOM 0 H SER A 31 3.869 -10.193 -12.693 1.00 0.00 H new ATOM 0 HA SER A 31 2.078 -10.150 -14.863 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.677 -10.928 -12.469 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.591 -9.242 -11.998 1.00 0.00 H new ATOM 0 HG SER A 31 -0.470 -9.493 -12.495 1.00 0.00 H new ATOM 511 N ILE A 32 2.836 -7.213 -13.557 1.00 0.00 N ATOM 512 CA ILE A 32 2.814 -5.776 -13.814 1.00 0.00 C ATOM 513 C ILE A 32 3.626 -5.449 -15.064 1.00 0.00 C ATOM 514 O ILE A 32 3.187 -4.677 -15.918 1.00 0.00 O ATOM 515 CB ILE A 32 3.381 -4.976 -12.620 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.630 -5.335 -11.337 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.297 -3.477 -12.884 1.00 0.00 C ATOM 518 CD1 ILE A 32 3.259 -4.766 -10.088 1.00 0.00 C ATOM 0 H ILE A 32 3.370 -7.485 -12.732 1.00 0.00 H new ATOM 0 HA ILE A 32 1.773 -5.489 -13.962 1.00 0.00 H new ATOM 0 HB ILE A 32 4.431 -5.241 -12.497 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.604 -4.974 -11.414 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.580 -6.420 -11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.702 -2.934 -12.030 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.873 -3.232 -13.776 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.256 -3.192 -13.035 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.672 -5.062 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.275 -5.147 -9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.284 -3.678 -10.156 1.00 0.00 H new ATOM 530 N GLY A 33 4.802 -6.049 -15.171 1.00 0.00 N ATOM 531 CA GLY A 33 5.656 -5.806 -16.318 1.00 0.00 C ATOM 532 C GLY A 33 6.913 -5.049 -15.948 1.00 0.00 C ATOM 533 O GLY A 33 7.448 -4.282 -16.751 1.00 0.00 O ATOM 0 H GLY A 33 5.182 -6.701 -14.484 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.929 -6.758 -16.773 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.102 -5.241 -17.068 1.00 0.00 H new ATOM 537 N VAL A 34 7.388 -5.268 -14.732 1.00 0.00 N ATOM 538 CA VAL A 34 8.587 -4.599 -14.248 1.00 0.00 C ATOM 539 C VAL A 34 9.658 -5.617 -13.889 1.00 0.00 C ATOM 540 O VAL A 34 9.357 -6.786 -13.631 1.00 0.00 O ATOM 541 CB VAL A 34 8.296 -3.714 -13.011 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.303 -2.618 -13.355 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.784 -4.548 -11.847 1.00 0.00 C ATOM 0 H VAL A 34 6.961 -5.905 -14.060 1.00 0.00 H new ATOM 0 HA VAL A 34 8.940 -3.958 -15.056 1.00 0.00 H new ATOM 0 HB VAL A 34 9.234 -3.249 -12.707 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.113 -2.009 -12.471 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.713 -1.991 -14.147 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.369 -3.066 -13.694 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.588 -3.899 -10.993 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.863 -5.052 -12.138 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.534 -5.291 -11.574 1.00 0.00 H new ATOM 553 N SER A 35 10.905 -5.175 -13.893 1.00 0.00 N ATOM 554 CA SER A 35 12.016 -6.020 -13.493 1.00 0.00 C ATOM 555 C SER A 35 11.948 -6.286 -11.991 1.00 0.00 C ATOM 556 O SER A 35 11.558 -5.408 -11.218 1.00 0.00 O ATOM 557 CB SER A 35 13.344 -5.349 -13.862 1.00 0.00 C ATOM 558 OG SER A 35 13.363 -4.980 -15.232 1.00 0.00 O ATOM 0 H SER A 35 11.173 -4.231 -14.171 1.00 0.00 H new ATOM 0 HA SER A 35 11.952 -6.972 -14.020 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.494 -4.466 -13.241 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.170 -6.029 -13.653 1.00 0.00 H new ATOM 0 HG SER A 35 14.219 -4.552 -15.444 1.00 0.00 H new ATOM 564 N PRO A 36 12.334 -7.495 -11.551 1.00 0.00 N ATOM 565 CA PRO A 36 12.264 -7.868 -10.136 1.00 0.00 C ATOM 566 C PRO A 36 13.187 -7.009 -9.274 1.00 0.00 C ATOM 567 O PRO A 36 12.927 -6.805 -8.093 1.00 0.00 O ATOM 568 CB PRO A 36 12.690 -9.341 -10.126 1.00 0.00 C ATOM 569 CG PRO A 36 13.490 -9.509 -11.371 1.00 0.00 C ATOM 570 CD PRO A 36 12.865 -8.590 -12.383 1.00 0.00 C ATOM 0 HA PRO A 36 11.271 -7.715 -9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.280 -9.577 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.825 -10.004 -10.118 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.536 -9.252 -11.202 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.467 -10.543 -11.715 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.596 -8.229 -13.107 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.076 -9.087 -12.947 1.00 0.00 H new ATOM 578 N GLN A 37 14.254 -6.489 -9.883 1.00 0.00 N ATOM 579 CA GLN A 37 15.163 -5.572 -9.199 1.00 0.00 C ATOM 580 C GLN A 37 14.446 -4.277 -8.832 1.00 0.00 C ATOM 581 O GLN A 37 14.577 -3.774 -7.716 1.00 0.00 O ATOM 582 CB GLN A 37 16.375 -5.240 -10.072 1.00 0.00 C ATOM 583 CG GLN A 37 17.279 -6.423 -10.364 1.00 0.00 C ATOM 584 CD GLN A 37 18.546 -6.013 -11.094 1.00 0.00 C ATOM 585 OE1 GLN A 37 19.597 -6.633 -10.935 1.00 0.00 O ATOM 586 NE2 GLN A 37 18.458 -4.966 -11.903 1.00 0.00 N ATOM 0 H GLN A 37 14.509 -6.689 -10.850 1.00 0.00 H new ATOM 0 HA GLN A 37 15.504 -6.071 -8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.024 -4.824 -11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.960 -4.463 -9.580 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.544 -6.915 -9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.736 -7.153 -10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 37 17.569 -4.477 -12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.279 -4.650 -12.419 1.00 0.00 H new ATOM 595 N THR A 38 13.671 -3.755 -9.776 1.00 0.00 N ATOM 596 CA THR A 38 12.963 -2.504 -9.585 1.00 0.00 C ATOM 597 C THR A 38 11.864 -2.702 -8.554 1.00 0.00 C ATOM 598 O THR A 38 11.675 -1.889 -7.649 1.00 0.00 O ATOM 599 CB THR A 38 12.347 -2.027 -10.910 1.00 0.00 C ATOM 600 OG1 THR A 38 13.247 -2.317 -11.989 1.00 0.00 O ATOM 601 CG2 THR A 38 12.066 -0.533 -10.867 1.00 0.00 C ATOM 0 H THR A 38 13.519 -4.187 -10.688 1.00 0.00 H new ATOM 0 HA THR A 38 13.667 -1.748 -9.236 1.00 0.00 H new ATOM 0 HB THR A 38 11.404 -2.552 -11.064 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.853 -2.014 -12.834 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.630 -0.217 -11.815 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.369 -0.317 -10.057 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.997 0.008 -10.698 1.00 0.00 H new ATOM 609 N PHE A 39 11.174 -3.823 -8.689 1.00 0.00 N ATOM 610 CA PHE A 39 10.134 -4.213 -7.758 1.00 0.00 C ATOM 611 C PHE A 39 10.717 -4.355 -6.355 1.00 0.00 C ATOM 612 O PHE A 39 10.094 -3.970 -5.366 1.00 0.00 O ATOM 613 CB PHE A 39 9.523 -5.535 -8.221 1.00 0.00 C ATOM 614 CG PHE A 39 8.245 -5.897 -7.522 1.00 0.00 C ATOM 615 CD1 PHE A 39 7.038 -5.351 -7.930 1.00 0.00 C ATOM 616 CD2 PHE A 39 8.252 -6.786 -6.463 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.860 -5.688 -7.291 1.00 0.00 C ATOM 618 CE2 PHE A 39 7.079 -7.128 -5.822 1.00 0.00 C ATOM 619 CZ PHE A 39 5.882 -6.579 -6.235 1.00 0.00 C ATOM 0 H PHE A 39 11.321 -4.487 -9.449 1.00 0.00 H new ATOM 0 HA PHE A 39 9.358 -3.449 -7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.335 -5.480 -9.293 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.249 -6.333 -8.065 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.018 -4.655 -8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.186 -7.217 -6.134 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.925 -5.256 -7.616 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.098 -7.825 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.963 -6.845 -5.733 1.00 0.00 H new ATOM 629 N ASN A 40 11.929 -4.893 -6.288 1.00 0.00 N ATOM 630 CA ASN A 40 12.621 -5.082 -5.023 1.00 0.00 C ATOM 631 C ASN A 40 12.941 -3.742 -4.373 1.00 0.00 C ATOM 632 O ASN A 40 12.719 -3.560 -3.178 1.00 0.00 O ATOM 633 CB ASN A 40 13.908 -5.887 -5.226 1.00 0.00 C ATOM 634 CG ASN A 40 14.626 -6.170 -3.922 1.00 0.00 C ATOM 635 OD1 ASN A 40 15.482 -5.399 -3.488 1.00 0.00 O ATOM 636 ND2 ASN A 40 14.285 -7.284 -3.293 1.00 0.00 N ATOM 0 H ASN A 40 12.455 -5.208 -7.103 1.00 0.00 H new ATOM 0 HA ASN A 40 11.959 -5.639 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.669 -6.830 -5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.574 -5.339 -5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.737 -7.532 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.570 -7.895 -3.689 1.00 0.00 H new ATOM 643 N THR A 41 13.445 -2.794 -5.160 1.00 0.00 N ATOM 644 CA THR A 41 13.792 -1.482 -4.624 1.00 0.00 C ATOM 645 C THR A 41 12.556 -0.743 -4.112 1.00 0.00 C ATOM 646 O THR A 41 12.654 0.105 -3.221 1.00 0.00 O ATOM 647 CB THR A 41 14.546 -0.607 -5.653 1.00 0.00 C ATOM 648 OG1 THR A 41 13.850 -0.565 -6.904 1.00 0.00 O ATOM 649 CG2 THR A 41 15.951 -1.136 -5.875 1.00 0.00 C ATOM 0 H THR A 41 13.620 -2.908 -6.158 1.00 0.00 H new ATOM 0 HA THR A 41 14.464 -1.662 -3.785 1.00 0.00 H new ATOM 0 HB THR A 41 14.600 0.404 -5.248 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.991 -1.029 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.466 -0.508 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.498 -1.123 -4.932 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.900 -2.158 -6.251 1.00 0.00 H new ATOM 657 N TRP A 42 11.392 -1.075 -4.661 1.00 0.00 N ATOM 658 CA TRP A 42 10.133 -0.523 -4.170 1.00 0.00 C ATOM 659 C TRP A 42 9.746 -1.203 -2.862 1.00 0.00 C ATOM 660 O TRP A 42 9.385 -0.548 -1.886 1.00 0.00 O ATOM 661 CB TRP A 42 9.007 -0.722 -5.187 1.00 0.00 C ATOM 662 CG TRP A 42 9.246 -0.086 -6.522 1.00 0.00 C ATOM 663 CD1 TRP A 42 10.140 0.904 -6.825 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.560 -0.393 -7.736 1.00 0.00 C ATOM 665 NE1 TRP A 42 10.051 1.224 -8.157 1.00 0.00 N ATOM 666 CE2 TRP A 42 9.086 0.442 -8.737 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.549 -1.297 -8.074 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.635 0.401 -10.052 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.103 -1.337 -9.380 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.645 -0.491 -10.354 1.00 0.00 C ATOM 0 H TRP A 42 11.294 -1.722 -5.444 1.00 0.00 H new ATOM 0 HA TRP A 42 10.276 0.546 -4.010 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.852 -1.791 -5.332 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.084 -0.320 -4.769 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.816 1.366 -6.120 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.611 1.928 -8.637 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.125 -1.952 -7.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.052 1.051 -10.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.323 -2.032 -9.654 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.273 -0.544 -11.366 1.00 0.00 H new ATOM 681 N CYS A 43 9.853 -2.525 -2.851 1.00 0.00 N ATOM 682 CA CYS A 43 9.444 -3.327 -1.707 1.00 0.00 C ATOM 683 C CYS A 43 10.410 -3.142 -0.532 1.00 0.00 C ATOM 684 O CYS A 43 10.085 -3.452 0.614 1.00 0.00 O ATOM 685 CB CYS A 43 9.378 -4.798 -2.124 1.00 0.00 C ATOM 686 SG CYS A 43 8.137 -5.778 -1.245 1.00 0.00 S ATOM 0 H CYS A 43 10.224 -3.069 -3.630 1.00 0.00 H new ATOM 0 HA CYS A 43 8.459 -2.998 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.171 -4.850 -3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.357 -5.251 -1.966 1.00 0.00 H new ATOM 0 HG CYS A 43 6.948 -5.410 -1.620 1.00 0.00 H new ATOM 692 N LYS A 44 11.601 -2.647 -0.827 1.00 0.00 N ATOM 693 CA LYS A 44 12.584 -2.343 0.198 1.00 0.00 C ATOM 694 C LYS A 44 12.464 -0.897 0.670 1.00 0.00 C ATOM 695 O LYS A 44 13.166 -0.477 1.590 1.00 0.00 O ATOM 696 CB LYS A 44 13.988 -2.614 -0.341 1.00 0.00 C ATOM 697 CG LYS A 44 14.431 -4.058 -0.182 1.00 0.00 C ATOM 698 CD LYS A 44 14.657 -4.400 1.283 1.00 0.00 C ATOM 699 CE LYS A 44 14.977 -5.873 1.483 1.00 0.00 C ATOM 700 NZ LYS A 44 13.809 -6.739 1.174 1.00 0.00 N ATOM 0 H LYS A 44 11.912 -2.446 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 44 12.397 -2.987 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.021 -2.347 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.697 -1.966 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.676 -4.722 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.350 -4.224 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.475 -3.795 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.767 -4.142 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.815 -6.153 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.291 -6.040 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.001 -7.709 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.967 -6.373 1.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.641 -6.742 0.148 1.00 0.00 H new ATOM 714 N GLY A 45 11.571 -0.141 0.037 1.00 0.00 N ATOM 715 CA GLY A 45 11.363 1.245 0.417 1.00 0.00 C ATOM 716 C GLY A 45 12.512 2.139 0.004 1.00 0.00 C ATOM 717 O GLY A 45 12.785 3.151 0.650 1.00 0.00 O ATOM 0 H GLY A 45 10.987 -0.465 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.442 1.609 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.230 1.306 1.497 1.00 0.00 H new ATOM 721 N ILE A 46 13.187 1.768 -1.074 1.00 0.00 N ATOM 722 CA ILE A 46 14.306 2.545 -1.575 1.00 0.00 C ATOM 723 C ILE A 46 13.809 3.673 -2.473 1.00 0.00 C ATOM 724 O ILE A 46 14.300 4.800 -2.407 1.00 0.00 O ATOM 725 CB ILE A 46 15.302 1.664 -2.359 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.804 0.516 -1.477 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.477 2.501 -2.865 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.722 -0.451 -2.196 1.00 0.00 C ATOM 0 H ILE A 46 12.977 0.931 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 46 14.824 2.965 -0.713 1.00 0.00 H new ATOM 0 HB ILE A 46 14.786 1.241 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.331 0.933 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.946 -0.033 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.168 1.863 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.107 3.287 -3.523 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.995 2.951 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.036 -1.235 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.193 -0.898 -3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.599 0.083 -2.561 1.00 0.00 H new ATOM 740 N ALA A 47 12.818 3.368 -3.297 1.00 0.00 N ATOM 741 CA ALA A 47 12.265 4.348 -4.215 1.00 0.00 C ATOM 742 C ALA A 47 10.797 4.065 -4.503 1.00 0.00 C ATOM 743 O ALA A 47 10.338 2.932 -4.372 1.00 0.00 O ATOM 744 CB ALA A 47 13.062 4.361 -5.512 1.00 0.00 C ATOM 0 H ALA A 47 12.381 2.448 -3.348 1.00 0.00 H new ATOM 0 HA ALA A 47 12.334 5.329 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.638 5.100 -6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.100 4.618 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.020 3.375 -5.975 1.00 0.00 H new ATOM 750 N ILE A 48 10.069 5.108 -4.875 1.00 0.00 N ATOM 751 CA ILE A 48 8.683 4.973 -5.299 1.00 0.00 C ATOM 752 C ILE A 48 8.566 5.358 -6.769 1.00 0.00 C ATOM 753 O ILE A 48 9.063 6.412 -7.177 1.00 0.00 O ATOM 754 CB ILE A 48 7.732 5.853 -4.450 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.682 5.347 -3.007 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.329 5.889 -5.049 1.00 0.00 C ATOM 757 CD1 ILE A 48 6.820 6.197 -2.093 1.00 0.00 C ATOM 0 H ILE A 48 10.420 6.066 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 48 8.386 3.934 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 48 8.125 6.870 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.303 4.325 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.696 5.313 -2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.685 6.514 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.374 6.300 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.924 4.878 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.833 5.777 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.211 7.214 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.796 6.211 -2.468 1.00 0.00 H new ATOM 769 N PRO A 49 7.927 4.500 -7.576 1.00 0.00 N ATOM 770 CA PRO A 49 7.766 4.725 -9.018 1.00 0.00 C ATOM 771 C PRO A 49 6.888 5.934 -9.334 1.00 0.00 C ATOM 772 O PRO A 49 6.543 6.726 -8.454 1.00 0.00 O ATOM 773 CB PRO A 49 7.098 3.433 -9.507 1.00 0.00 C ATOM 774 CG PRO A 49 6.421 2.880 -8.301 1.00 0.00 C ATOM 775 CD PRO A 49 7.310 3.234 -7.144 1.00 0.00 C ATOM 0 HA PRO A 49 8.719 4.940 -9.501 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.384 3.634 -10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.833 2.733 -9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.427 3.309 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.294 1.800 -8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.743 3.356 -6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.058 2.463 -6.959 1.00 0.00 H new ATOM 783 N ARG A 50 6.536 6.086 -10.598 1.00 0.00 N ATOM 784 CA ARG A 50 5.703 7.198 -11.014 1.00 0.00 C ATOM 785 C ARG A 50 4.232 6.832 -10.879 1.00 0.00 C ATOM 786 O ARG A 50 3.898 5.651 -10.781 1.00 0.00 O ATOM 787 CB ARG A 50 6.050 7.609 -12.443 1.00 0.00 C ATOM 788 CG ARG A 50 7.505 8.043 -12.624 1.00 0.00 C ATOM 789 CD ARG A 50 7.836 9.315 -11.844 1.00 0.00 C ATOM 790 NE ARG A 50 7.730 9.132 -10.397 1.00 0.00 N ATOM 791 CZ ARG A 50 7.742 10.128 -9.510 1.00 0.00 C ATOM 792 NH1 ARG A 50 7.939 11.381 -9.903 1.00 0.00 N ATOM 793 NH2 ARG A 50 7.552 9.867 -8.224 1.00 0.00 N ATOM 0 H ARG A 50 6.813 5.456 -11.351 1.00 0.00 H new ATOM 0 HA ARG A 50 5.894 8.053 -10.365 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.844 6.773 -13.112 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.396 8.427 -12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.164 7.239 -12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.703 8.208 -13.683 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.848 9.636 -12.093 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.162 10.113 -12.156 1.00 0.00 H new ATOM 0 HE ARG A 50 7.641 8.180 -10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.083 11.589 -10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.946 12.136 -9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.397 8.907 -7.916 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.561 10.626 -7.543 1.00 0.00 H new ATOM 807 N MET A 51 3.367 7.844 -10.874 1.00 0.00 N ATOM 808 CA MET A 51 1.943 7.657 -10.575 1.00 0.00 C ATOM 809 C MET A 51 1.304 6.587 -11.458 1.00 0.00 C ATOM 810 O MET A 51 0.425 5.858 -11.007 1.00 0.00 O ATOM 811 CB MET A 51 1.175 8.982 -10.708 1.00 0.00 C ATOM 812 CG MET A 51 1.153 9.552 -12.121 1.00 0.00 C ATOM 813 SD MET A 51 0.212 11.081 -12.242 1.00 0.00 S ATOM 814 CE MET A 51 1.117 12.125 -11.107 1.00 0.00 C ATOM 0 H MET A 51 3.627 8.810 -11.075 1.00 0.00 H new ATOM 0 HA MET A 51 1.880 7.314 -9.542 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.149 8.829 -10.374 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.622 9.717 -10.039 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.176 9.733 -12.451 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.726 8.813 -12.799 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.873 13.170 -11.300 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.844 11.872 -10.083 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.187 11.971 -11.245 1.00 0.00 H new ATOM 824 N GLY A 52 1.751 6.486 -12.704 1.00 0.00 N ATOM 825 CA GLY A 52 1.205 5.493 -13.607 1.00 0.00 C ATOM 826 C GLY A 52 1.477 4.075 -13.143 1.00 0.00 C ATOM 827 O GLY A 52 0.604 3.209 -13.216 1.00 0.00 O ATOM 0 H GLY A 52 2.482 7.074 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.129 5.642 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.632 5.635 -14.600 1.00 0.00 H new ATOM 831 N LYS A 53 2.680 3.838 -12.638 1.00 0.00 N ATOM 832 CA LYS A 53 3.068 2.505 -12.206 1.00 0.00 C ATOM 833 C LYS A 53 2.590 2.253 -10.781 1.00 0.00 C ATOM 834 O LYS A 53 2.302 1.117 -10.405 1.00 0.00 O ATOM 835 CB LYS A 53 4.580 2.331 -12.319 1.00 0.00 C ATOM 836 CG LYS A 53 5.022 0.881 -12.406 1.00 0.00 C ATOM 837 CD LYS A 53 6.277 0.738 -13.256 1.00 0.00 C ATOM 838 CE LYS A 53 6.003 1.096 -14.708 1.00 0.00 C ATOM 839 NZ LYS A 53 7.213 0.965 -15.558 1.00 0.00 N ATOM 0 H LYS A 53 3.401 4.550 -12.518 1.00 0.00 H new ATOM 0 HA LYS A 53 2.595 1.770 -12.857 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.933 2.863 -13.202 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.056 2.796 -11.456 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.212 0.495 -11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.220 0.279 -12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.062 1.384 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.646 -0.286 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.216 0.449 -15.097 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.631 2.119 -14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.978 1.219 -16.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.956 1.601 -15.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.554 -0.017 -15.527 1.00 0.00 H new ATOM 853 N VAL A 54 2.493 3.321 -9.995 1.00 0.00 N ATOM 854 CA VAL A 54 1.883 3.235 -8.671 1.00 0.00 C ATOM 855 C VAL A 54 0.413 2.858 -8.819 1.00 0.00 C ATOM 856 O VAL A 54 -0.116 2.039 -8.067 1.00 0.00 O ATOM 857 CB VAL A 54 2.000 4.567 -7.891 1.00 0.00 C ATOM 858 CG1 VAL A 54 1.313 4.470 -6.535 1.00 0.00 C ATOM 859 CG2 VAL A 54 3.460 4.964 -7.718 1.00 0.00 C ATOM 0 H VAL A 54 2.826 4.251 -10.249 1.00 0.00 H new ATOM 0 HA VAL A 54 2.417 2.473 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 54 1.497 5.339 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.411 5.420 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.257 4.241 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.779 3.680 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.519 5.903 -7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.986 4.185 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.922 5.088 -8.697 1.00 0.00 H new ATOM 869 N GLN A 55 -0.232 3.450 -9.819 1.00 0.00 N ATOM 870 CA GLN A 55 -1.609 3.121 -10.142 1.00 0.00 C ATOM 871 C GLN A 55 -1.714 1.661 -10.569 1.00 0.00 C ATOM 872 O GLN A 55 -2.679 0.988 -10.231 1.00 0.00 O ATOM 873 CB GLN A 55 -2.136 4.035 -11.252 1.00 0.00 C ATOM 874 CG GLN A 55 -3.578 3.763 -11.646 1.00 0.00 C ATOM 875 CD GLN A 55 -4.548 3.963 -10.495 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.062 5.062 -10.284 1.00 0.00 O ATOM 877 NE2 GLN A 55 -4.808 2.904 -9.745 1.00 0.00 N ATOM 0 H GLN A 55 0.182 4.163 -10.420 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.218 3.274 -9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.049 5.072 -10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.503 3.923 -12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.856 4.422 -12.469 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.663 2.740 -12.014 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.362 2.010 -9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.455 2.981 -8.960 1.00 0.00 H new ATOM 886 N ALA A 56 -0.713 1.177 -11.299 1.00 0.00 N ATOM 887 CA ALA A 56 -0.674 -0.222 -11.720 1.00 0.00 C ATOM 888 C ALA A 56 -0.637 -1.157 -10.513 1.00 0.00 C ATOM 889 O ALA A 56 -1.273 -2.213 -10.514 1.00 0.00 O ATOM 890 CB ALA A 56 0.525 -0.479 -12.622 1.00 0.00 C ATOM 0 H ALA A 56 0.083 1.733 -11.612 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.584 -0.426 -12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.535 -1.526 -12.924 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.457 0.153 -13.507 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.443 -0.248 -12.081 1.00 0.00 H new ATOM 896 N LEU A 57 0.105 -0.754 -9.483 1.00 0.00 N ATOM 897 CA LEU A 57 0.175 -1.504 -8.233 1.00 0.00 C ATOM 898 C LEU A 57 -1.198 -1.561 -7.570 1.00 0.00 C ATOM 899 O LEU A 57 -1.696 -2.636 -7.236 1.00 0.00 O ATOM 900 CB LEU A 57 1.178 -0.844 -7.286 1.00 0.00 C ATOM 901 CG LEU A 57 2.638 -0.894 -7.733 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.482 0.046 -6.889 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.171 -2.314 -7.629 1.00 0.00 C ATOM 0 H LEU A 57 0.670 0.095 -9.492 1.00 0.00 H new ATOM 0 HA LEU A 57 0.502 -2.520 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.893 0.200 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.099 -1.323 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 57 2.694 -0.573 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.520 -0.001 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.112 1.065 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.421 -0.251 -5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.212 -2.336 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.103 -2.653 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.580 -2.972 -8.267 1.00 0.00 H new ATOM 915 N ALA A 58 -1.817 -0.395 -7.413 1.00 0.00 N ATOM 916 CA ALA A 58 -3.138 -0.302 -6.806 1.00 0.00 C ATOM 917 C ALA A 58 -4.183 -1.000 -7.673 1.00 0.00 C ATOM 918 O ALA A 58 -5.139 -1.575 -7.167 1.00 0.00 O ATOM 919 CB ALA A 58 -3.519 1.155 -6.589 1.00 0.00 C ATOM 0 H ALA A 58 -1.422 0.501 -7.699 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.106 -0.804 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.508 1.209 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.791 1.627 -5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.531 1.675 -7.547 1.00 0.00 H new ATOM 925 N ASP A 59 -3.969 -0.951 -8.978 1.00 0.00 N ATOM 926 CA ASP A 59 -4.859 -1.571 -9.957 1.00 0.00 C ATOM 927 C ASP A 59 -4.881 -3.083 -9.784 1.00 0.00 C ATOM 928 O ASP A 59 -5.938 -3.713 -9.831 1.00 0.00 O ATOM 929 CB ASP A 59 -4.385 -1.211 -11.370 1.00 0.00 C ATOM 930 CG ASP A 59 -5.192 -1.871 -12.471 1.00 0.00 C ATOM 931 OD1 ASP A 59 -4.863 -3.016 -12.848 1.00 0.00 O ATOM 932 OD2 ASP A 59 -6.131 -1.230 -12.991 1.00 0.00 O ATOM 0 H ASP A 59 -3.168 -0.477 -9.395 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.871 -1.197 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.433 -0.129 -11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.339 -1.498 -11.477 1.00 0.00 H new ATOM 937 N TYR A 60 -3.703 -3.650 -9.560 1.00 0.00 N ATOM 938 CA TYR A 60 -3.551 -5.092 -9.413 1.00 0.00 C ATOM 939 C TYR A 60 -4.291 -5.596 -8.176 1.00 0.00 C ATOM 940 O TYR A 60 -4.897 -6.669 -8.193 1.00 0.00 O ATOM 941 CB TYR A 60 -2.069 -5.454 -9.323 1.00 0.00 C ATOM 942 CG TYR A 60 -1.796 -6.938 -9.427 1.00 0.00 C ATOM 943 CD1 TYR A 60 -2.019 -7.621 -10.617 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.313 -7.655 -8.340 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.770 -8.976 -10.719 1.00 0.00 C ATOM 946 CE2 TYR A 60 -1.062 -9.011 -8.435 1.00 0.00 C ATOM 947 CZ TYR A 60 -1.293 -9.666 -9.627 1.00 0.00 C ATOM 948 OH TYR A 60 -1.041 -11.015 -9.730 1.00 0.00 O ATOM 0 H TYR A 60 -2.831 -3.128 -9.475 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.985 -5.574 -10.289 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.530 -4.938 -10.117 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.671 -5.086 -8.377 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.393 -7.084 -11.476 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.131 -7.145 -7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.949 -9.492 -11.651 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.687 -9.555 -7.581 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.708 -11.352 -8.872 1.00 0.00 H new ATOM 958 N PHE A 61 -4.249 -4.811 -7.112 1.00 0.00 N ATOM 959 CA PHE A 61 -4.896 -5.192 -5.865 1.00 0.00 C ATOM 960 C PHE A 61 -6.318 -4.637 -5.795 1.00 0.00 C ATOM 961 O PHE A 61 -7.054 -4.910 -4.842 1.00 0.00 O ATOM 962 CB PHE A 61 -4.078 -4.694 -4.674 1.00 0.00 C ATOM 963 CG PHE A 61 -2.734 -5.360 -4.537 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.628 -6.633 -3.998 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.577 -4.713 -4.940 1.00 0.00 C ATOM 966 CE1 PHE A 61 -1.396 -7.247 -3.866 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.341 -5.322 -4.810 1.00 0.00 C ATOM 968 CZ PHE A 61 -0.250 -6.589 -4.273 1.00 0.00 C ATOM 0 H PHE A 61 -3.775 -3.908 -7.085 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.952 -6.280 -5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.932 -3.618 -4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.649 -4.857 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.519 -7.152 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.640 -3.720 -5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.329 -8.239 -3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.552 -4.805 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.714 -7.066 -4.171 1.00 0.00 H new ATOM 978 N ASN A 62 -6.682 -3.849 -6.809 1.00 0.00 N ATOM 979 CA ASN A 62 -8.008 -3.227 -6.910 1.00 0.00 C ATOM 980 C ASN A 62 -8.254 -2.276 -5.733 1.00 0.00 C ATOM 981 O ASN A 62 -9.394 -2.019 -5.338 1.00 0.00 O ATOM 982 CB ASN A 62 -9.103 -4.301 -6.979 1.00 0.00 C ATOM 983 CG ASN A 62 -10.443 -3.744 -7.424 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.508 -2.782 -8.193 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.517 -4.346 -6.946 1.00 0.00 N ATOM 0 H ASN A 62 -6.064 -3.622 -7.588 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.042 -2.643 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.793 -5.086 -7.669 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.214 -4.764 -5.999 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.446 -4.018 -7.211 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.418 -5.139 -6.312 1.00 0.00 H new ATOM 992 N ILE A 63 -7.169 -1.735 -5.196 1.00 0.00 N ATOM 993 CA ILE A 63 -7.239 -0.837 -4.054 1.00 0.00 C ATOM 994 C ILE A 63 -6.941 0.594 -4.477 1.00 0.00 C ATOM 995 O ILE A 63 -6.837 0.890 -5.671 1.00 0.00 O ATOM 996 CB ILE A 63 -6.253 -1.254 -2.939 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.819 -1.310 -3.479 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.664 -2.596 -2.348 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.781 -1.627 -2.424 1.00 0.00 C ATOM 0 H ILE A 63 -6.223 -1.905 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.254 -0.898 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.285 -0.506 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.766 -2.063 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.576 -0.352 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.962 -2.879 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.666 -2.516 -1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.659 -3.355 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.792 -1.649 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.805 -0.861 -1.649 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.998 -2.599 -1.981 1.00 0.00 H new ATOM 1011 N ASN A 64 -6.805 1.483 -3.506 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.501 2.878 -3.788 1.00 0.00 C ATOM 1013 C ASN A 64 -5.001 3.092 -3.674 1.00 0.00 C ATOM 1014 O ASN A 64 -4.319 2.370 -2.947 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.237 3.794 -2.799 1.00 0.00 C ATOM 1016 CG ASN A 64 -7.374 5.233 -3.281 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -6.555 5.733 -4.052 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -8.405 5.917 -2.809 1.00 0.00 N ATOM 0 H ASN A 64 -6.900 1.264 -2.514 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.832 3.123 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.231 3.387 -2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.705 3.788 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.540 6.890 -3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.064 5.471 -2.172 1.00 0.00 H new ATOM 1025 N LYS A 65 -4.483 4.072 -4.392 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.076 4.421 -4.296 1.00 0.00 C ATOM 1027 C LYS A 65 -2.753 4.901 -2.884 1.00 0.00 C ATOM 1028 O LYS A 65 -1.639 4.732 -2.396 1.00 0.00 O ATOM 1029 CB LYS A 65 -2.710 5.484 -5.335 1.00 0.00 C ATOM 1030 CG LYS A 65 -3.525 6.760 -5.233 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.184 7.719 -6.361 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.009 8.990 -6.280 1.00 0.00 C ATOM 1033 NZ LYS A 65 -3.731 9.902 -7.417 1.00 0.00 N ATOM 0 H LYS A 65 -5.016 4.642 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.478 3.534 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.654 5.731 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.840 5.062 -6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.588 6.520 -5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.335 7.241 -4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.124 7.969 -6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.359 7.231 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.069 8.735 -6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.795 9.503 -5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.314 10.758 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.725 10.166 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.959 9.422 -8.311 1.00 0.00 H new ATOM 1047 N SER A 66 -3.752 5.482 -2.225 1.00 0.00 N ATOM 1048 CA SER A 66 -3.588 5.981 -0.870 1.00 0.00 C ATOM 1049 C SER A 66 -3.386 4.834 0.119 1.00 0.00 C ATOM 1050 O SER A 66 -2.782 5.021 1.170 1.00 0.00 O ATOM 1051 CB SER A 66 -4.796 6.830 -0.470 1.00 0.00 C ATOM 1052 OG SER A 66 -6.007 6.117 -0.650 1.00 0.00 O ATOM 0 H SER A 66 -4.686 5.617 -2.613 1.00 0.00 H new ATOM 0 HA SER A 66 -2.695 6.606 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.701 7.133 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.816 7.742 -1.067 1.00 0.00 H new ATOM 0 HG SER A 66 -6.762 6.683 -0.385 1.00 0.00 H new ATOM 1058 N ASP A 67 -3.875 3.644 -0.228 1.00 0.00 N ATOM 1059 CA ASP A 67 -3.716 2.468 0.632 1.00 0.00 C ATOM 1060 C ASP A 67 -2.244 2.122 0.825 1.00 0.00 C ATOM 1061 O ASP A 67 -1.869 1.491 1.811 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.454 1.254 0.056 1.00 0.00 C ATOM 1063 CG ASP A 67 -5.946 1.286 0.320 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.373 0.796 1.384 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -6.700 1.795 -0.536 1.00 0.00 O ATOM 0 H ASP A 67 -4.383 3.467 -1.095 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.151 2.719 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.282 1.208 -1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.034 0.344 0.485 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.414 2.528 -0.123 1.00 0.00 N ATOM 1071 CA LEU A 68 0.015 2.266 -0.050 1.00 0.00 C ATOM 1072 C LEU A 68 0.755 3.438 0.591 1.00 0.00 C ATOM 1073 O LEU A 68 1.862 3.284 1.094 1.00 0.00 O ATOM 1074 CB LEU A 68 0.570 2.002 -1.454 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.038 0.798 -2.180 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.510 0.696 -3.595 1.00 0.00 C ATOM 1077 CD2 LEU A 68 0.236 -0.486 -1.411 1.00 0.00 C ATOM 0 H LEU A 68 -1.706 3.042 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 68 0.169 1.384 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.411 2.892 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.647 1.855 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.117 0.942 -2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.067 -0.165 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.264 1.603 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.593 0.577 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.204 -1.330 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.312 -0.634 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.204 -0.415 -0.416 1.00 0.00 H new ATOM 1089 N ILE A 69 0.129 4.606 0.574 1.00 0.00 N ATOM 1090 CA ILE A 69 0.786 5.833 1.005 1.00 0.00 C ATOM 1091 C ILE A 69 0.381 6.248 2.425 1.00 0.00 C ATOM 1092 O ILE A 69 1.229 6.640 3.227 1.00 0.00 O ATOM 1093 CB ILE A 69 0.460 6.983 0.027 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.863 6.604 -1.403 1.00 0.00 C ATOM 1095 CG2 ILE A 69 1.147 8.275 0.454 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.347 6.375 -1.581 1.00 0.00 C ATOM 0 H ILE A 69 -0.835 4.731 0.266 1.00 0.00 H new ATOM 0 HA ILE A 69 1.857 5.633 1.009 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.617 7.151 0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.328 5.699 -1.693 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.543 7.395 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.901 9.068 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.806 8.557 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.227 8.125 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.553 6.111 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.889 7.285 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.671 5.564 -0.929 1.00 0.00 H new ATOM 1108 N GLU A 70 -0.907 6.155 2.731 1.00 0.00 N ATOM 1109 CA GLU A 70 -1.446 6.706 3.967 1.00 0.00 C ATOM 1110 C GLU A 70 -1.082 5.886 5.201 1.00 0.00 C ATOM 1111 O GLU A 70 -0.709 4.714 5.112 1.00 0.00 O ATOM 1112 CB GLU A 70 -2.961 6.841 3.863 1.00 0.00 C ATOM 1113 CG GLU A 70 -3.417 8.121 3.182 1.00 0.00 C ATOM 1114 CD GLU A 70 -2.953 9.364 3.920 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -2.947 9.353 5.172 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -2.588 10.356 3.256 1.00 0.00 O ATOM 0 H GLU A 70 -1.600 5.701 2.137 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.989 7.687 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.356 5.987 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.390 6.800 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.034 8.143 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.505 8.126 3.115 1.00 0.00 H new ATOM 1123 N ASP A 71 -1.226 6.528 6.353 1.00 0.00 N ATOM 1124 CA ASP A 71 -0.870 5.943 7.642 1.00 0.00 C ATOM 1125 C ASP A 71 -2.109 5.314 8.299 1.00 0.00 C ATOM 1126 O ASP A 71 -3.186 5.295 7.698 1.00 0.00 O ATOM 1127 CB ASP A 71 -0.253 7.043 8.530 1.00 0.00 C ATOM 1128 CG ASP A 71 0.202 6.568 9.899 1.00 0.00 C ATOM 1129 OD1 ASP A 71 0.605 5.395 10.032 1.00 0.00 O ATOM 1130 OD2 ASP A 71 0.136 7.365 10.855 1.00 0.00 O ATOM 0 H ASP A 71 -1.596 7.476 6.421 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.137 5.148 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.600 7.477 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.985 7.839 8.661 1.00 0.00 H new ATOM 1135 N LYS A 72 -1.931 4.770 9.506 1.00 0.00 N ATOM 1136 CA LYS A 72 -3.013 4.162 10.292 1.00 0.00 C ATOM 1137 C LYS A 72 -3.397 2.797 9.720 1.00 0.00 C ATOM 1138 O LYS A 72 -4.353 2.162 10.160 1.00 0.00 O ATOM 1139 CB LYS A 72 -4.241 5.087 10.362 1.00 0.00 C ATOM 1140 CG LYS A 72 -5.259 4.688 11.420 1.00 0.00 C ATOM 1141 CD LYS A 72 -6.536 5.517 11.343 1.00 0.00 C ATOM 1142 CE LYS A 72 -6.333 6.963 11.786 1.00 0.00 C ATOM 1143 NZ LYS A 72 -5.591 7.774 10.782 1.00 0.00 N ATOM 0 H LYS A 72 -1.024 4.738 9.971 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.645 4.018 11.308 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.905 6.105 10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.730 5.098 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.507 3.633 11.302 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.815 4.802 12.409 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.910 5.505 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.301 5.055 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.304 7.422 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.789 6.976 12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.062 8.693 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.616 7.925 11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.576 7.271 9.872 1.00 0.00 H new ATOM 1157 N LYS A 73 -2.630 2.339 8.744 1.00 0.00 N ATOM 1158 CA LYS A 73 -2.870 1.048 8.133 1.00 0.00 C ATOM 1159 C LYS A 73 -1.949 -0.012 8.724 1.00 0.00 C ATOM 1160 O LYS A 73 -1.780 -1.096 8.162 1.00 0.00 O ATOM 1161 CB LYS A 73 -2.672 1.152 6.626 1.00 0.00 C ATOM 1162 CG LYS A 73 -3.698 2.041 5.942 1.00 0.00 C ATOM 1163 CD LYS A 73 -3.568 2.015 4.427 1.00 0.00 C ATOM 1164 CE LYS A 73 -4.094 0.715 3.819 1.00 0.00 C ATOM 1165 NZ LYS A 73 -3.235 -0.460 4.121 1.00 0.00 N ATOM 0 H LYS A 73 -1.834 2.847 8.359 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.897 0.747 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.674 1.540 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.720 0.154 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.700 1.718 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.582 3.065 6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.114 2.858 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.521 2.144 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.100 0.527 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.172 0.832 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.315 -1.155 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.245 -0.153 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.543 -0.895 5.014 1.00 0.00 H new ATOM 1179 N LEU A 74 -1.375 0.302 9.873 1.00 0.00 N ATOM 1180 CA LEU A 74 -0.458 -0.590 10.548 1.00 0.00 C ATOM 1181 C LEU A 74 -1.221 -1.629 11.358 1.00 0.00 C ATOM 1182 O LEU A 74 -1.383 -1.499 12.570 1.00 0.00 O ATOM 1183 CB LEU A 74 0.473 0.213 11.455 1.00 0.00 C ATOM 1184 CG LEU A 74 1.402 1.196 10.737 1.00 0.00 C ATOM 1185 CD1 LEU A 74 2.235 1.968 11.746 1.00 0.00 C ATOM 1186 CD2 LEU A 74 2.304 0.458 9.756 1.00 0.00 C ATOM 0 H LEU A 74 -1.534 1.183 10.361 1.00 0.00 H new ATOM 0 HA LEU A 74 0.139 -1.112 9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.134 0.769 12.170 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.083 -0.484 12.029 1.00 0.00 H new ATOM 0 HG LEU A 74 0.791 1.904 10.177 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.891 2.663 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.576 2.524 12.412 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.837 1.272 12.329 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.957 1.172 9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.909 -0.271 10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.692 -0.056 9.015 1.00 0.00 H new ATOM 1198 N ASN A 75 -1.721 -2.636 10.668 1.00 0.00 N ATOM 1199 CA ASN A 75 -2.408 -3.737 11.308 1.00 0.00 C ATOM 1200 C ASN A 75 -1.474 -4.932 11.361 1.00 0.00 C ATOM 1201 O ASN A 75 -0.865 -5.302 10.357 1.00 0.00 O ATOM 1202 CB ASN A 75 -3.697 -4.089 10.557 1.00 0.00 C ATOM 1203 CG ASN A 75 -4.455 -5.232 11.207 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -4.279 -6.395 10.848 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -5.306 -4.912 12.172 1.00 0.00 N ATOM 0 H ASN A 75 -1.662 -2.712 9.653 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.689 -3.448 12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.340 -3.210 10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.453 -4.357 9.529 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.841 -5.642 12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.426 -3.936 12.443 1.00 0.00 H new ATOM 1212 N ILE A 76 -1.341 -5.509 12.538 1.00 0.00 N ATOM 1213 CA ILE A 76 -0.374 -6.568 12.764 1.00 0.00 C ATOM 1214 C ILE A 76 -0.861 -7.900 12.209 1.00 0.00 C ATOM 1215 O ILE A 76 -1.941 -8.383 12.551 1.00 0.00 O ATOM 1216 CB ILE A 76 -0.059 -6.737 14.259 1.00 0.00 C ATOM 1217 CG1 ILE A 76 0.362 -5.396 14.879 1.00 0.00 C ATOM 1218 CG2 ILE A 76 1.027 -7.783 14.463 1.00 0.00 C ATOM 1219 CD1 ILE A 76 1.601 -4.792 14.251 1.00 0.00 C ATOM 0 H ILE A 76 -1.894 -5.261 13.359 1.00 0.00 H new ATOM 0 HA ILE A 76 0.534 -6.272 12.238 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.964 -7.078 14.762 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.462 -4.689 14.786 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.540 -5.539 15.945 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.236 -7.888 15.528 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.691 -8.740 14.063 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.934 -7.472 13.945 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.834 -3.847 14.742 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.440 -5.479 14.368 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.422 -4.615 13.191 1.00 0.00 H new ATOM 1231 N ASP A 77 -0.050 -8.467 11.338 1.00 0.00 N ATOM 1232 CA ASP A 77 -0.276 -9.808 10.810 1.00 0.00 C ATOM 1233 C ASP A 77 1.067 -10.513 10.660 1.00 0.00 C ATOM 1234 O ASP A 77 1.182 -11.585 10.071 1.00 0.00 O ATOM 1235 CB ASP A 77 -1.017 -9.740 9.469 1.00 0.00 C ATOM 1236 CG ASP A 77 -1.452 -11.104 8.961 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -2.199 -11.802 9.681 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -1.073 -11.477 7.830 1.00 0.00 O ATOM 0 H ASP A 77 0.788 -8.014 10.972 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.901 -10.374 11.501 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.894 -9.102 9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.371 -9.271 8.727 1.00 0.00 H new ATOM 1243 N THR A 78 2.083 -9.893 11.235 1.00 0.00 N ATOM 1244 CA THR A 78 3.447 -10.381 11.150 1.00 0.00 C ATOM 1245 C THR A 78 3.960 -10.773 12.533 1.00 0.00 C ATOM 1246 O THR A 78 3.176 -10.905 13.472 1.00 0.00 O ATOM 1247 CB THR A 78 4.362 -9.300 10.538 1.00 0.00 C ATOM 1248 OG1 THR A 78 4.114 -8.034 11.168 1.00 0.00 O ATOM 1249 CG2 THR A 78 4.124 -9.179 9.040 1.00 0.00 C ATOM 0 H THR A 78 1.984 -9.034 11.776 1.00 0.00 H new ATOM 0 HA THR A 78 3.459 -11.262 10.508 1.00 0.00 H new ATOM 0 HB THR A 78 5.398 -9.593 10.705 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.700 -7.353 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.779 -8.411 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.337 -10.134 8.559 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.085 -8.905 8.858 1.00 0.00 H new ATOM 1257 N VAL A 79 5.266 -10.969 12.646 1.00 0.00 N ATOM 1258 CA VAL A 79 5.900 -11.307 13.914 1.00 0.00 C ATOM 1259 C VAL A 79 6.674 -10.101 14.446 1.00 0.00 C ATOM 1260 O VAL A 79 7.845 -9.907 14.106 1.00 0.00 O ATOM 1261 CB VAL A 79 6.854 -12.514 13.779 1.00 0.00 C ATOM 1262 CG1 VAL A 79 7.426 -12.906 15.130 1.00 0.00 C ATOM 1263 CG2 VAL A 79 6.145 -13.699 13.139 1.00 0.00 C ATOM 0 H VAL A 79 5.916 -10.899 11.863 1.00 0.00 H new ATOM 0 HA VAL A 79 5.110 -11.581 14.613 1.00 0.00 H new ATOM 0 HB VAL A 79 7.678 -12.217 13.130 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.095 -13.758 15.009 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.981 -12.066 15.548 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.614 -13.176 15.805 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.838 -14.536 13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.296 -13.992 13.756 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.792 -13.419 12.146 1.00 0.00 H new ATOM 1273 N PRO A 80 6.008 -9.237 15.231 1.00 0.00 N ATOM 1274 CA PRO A 80 6.607 -8.004 15.733 1.00 0.00 C ATOM 1275 C PRO A 80 7.647 -8.268 16.817 1.00 0.00 C ATOM 1276 O PRO A 80 7.315 -8.670 17.935 1.00 0.00 O ATOM 1277 CB PRO A 80 5.417 -7.209 16.302 1.00 0.00 C ATOM 1278 CG PRO A 80 4.193 -7.986 15.932 1.00 0.00 C ATOM 1279 CD PRO A 80 4.636 -9.402 15.714 1.00 0.00 C ATOM 0 HA PRO A 80 7.141 -7.469 14.948 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.500 -7.102 17.384 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.383 -6.203 15.884 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.445 -7.931 16.723 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.734 -7.580 15.031 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.598 -9.985 16.634 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.009 -9.915 14.985 1.00 0.00 H new ATOM 1287 N ILE A 81 8.908 -8.063 16.470 1.00 0.00 N ATOM 1288 CA ILE A 81 9.991 -8.197 17.428 1.00 0.00 C ATOM 1289 C ILE A 81 10.026 -6.950 18.301 1.00 0.00 C ATOM 1290 O ILE A 81 9.605 -5.877 17.858 1.00 0.00 O ATOM 1291 CB ILE A 81 11.351 -8.391 16.710 1.00 0.00 C ATOM 1292 CG1 ILE A 81 11.278 -9.584 15.748 1.00 0.00 C ATOM 1293 CG2 ILE A 81 12.476 -8.588 17.719 1.00 0.00 C ATOM 1294 CD1 ILE A 81 10.948 -10.903 16.423 1.00 0.00 C ATOM 0 H ILE A 81 9.206 -7.803 15.530 1.00 0.00 H new ATOM 0 HA ILE A 81 9.818 -9.079 18.045 1.00 0.00 H new ATOM 0 HB ILE A 81 11.566 -7.490 16.136 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.525 -9.379 14.987 1.00 0.00 H new ATOM 0 HG13 ILE A 81 12.233 -9.681 15.232 1.00 0.00 H new ATOM 0 HG21 ILE A 81 13.420 -8.722 17.190 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.543 -7.712 18.365 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.271 -9.471 18.325 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.915 -11.696 15.676 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.713 -11.134 17.164 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.978 -10.827 16.915 1.00 0.00 H new ATOM 1306 N GLU A 82 10.477 -7.099 19.542 1.00 0.00 N ATOM 1307 CA GLU A 82 10.567 -5.968 20.461 1.00 0.00 C ATOM 1308 C GLU A 82 11.338 -4.804 19.835 1.00 0.00 C ATOM 1309 O GLU A 82 12.508 -4.929 19.474 1.00 0.00 O ATOM 1310 CB GLU A 82 11.216 -6.395 21.784 1.00 0.00 C ATOM 1311 CG GLU A 82 12.578 -7.057 21.630 1.00 0.00 C ATOM 1312 CD GLU A 82 13.224 -7.379 22.961 1.00 0.00 C ATOM 1313 OE1 GLU A 82 12.952 -8.463 23.517 1.00 0.00 O ATOM 1314 OE2 GLU A 82 14.000 -6.543 23.467 1.00 0.00 O ATOM 0 H GLU A 82 10.785 -7.989 19.935 1.00 0.00 H new ATOM 0 HA GLU A 82 9.553 -5.626 20.668 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.322 -5.518 22.423 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.546 -7.085 22.298 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.468 -7.975 21.052 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.235 -6.399 21.061 1.00 0.00 H new ATOM 1321 N SER A 83 10.648 -3.688 19.670 1.00 0.00 N ATOM 1322 CA SER A 83 11.239 -2.492 19.094 1.00 0.00 C ATOM 1323 C SER A 83 10.523 -1.260 19.631 1.00 0.00 C ATOM 1324 O SER A 83 9.404 -1.361 20.139 1.00 0.00 O ATOM 1325 CB SER A 83 11.144 -2.532 17.565 1.00 0.00 C ATOM 1326 OG SER A 83 11.760 -3.699 17.044 1.00 0.00 O ATOM 0 H SER A 83 9.667 -3.586 19.930 1.00 0.00 H new ATOM 0 HA SER A 83 12.292 -2.447 19.373 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.097 -2.504 17.262 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.622 -1.647 17.145 1.00 0.00 H new ATOM 0 HG SER A 83 11.165 -4.467 17.170 1.00 0.00 H new ATOM 1332 N GLY A 84 11.164 -0.107 19.524 1.00 0.00 N ATOM 1333 CA GLY A 84 10.567 1.113 20.021 1.00 0.00 C ATOM 1334 C GLY A 84 10.723 2.259 19.049 1.00 0.00 C ATOM 1335 O GLY A 84 11.308 2.099 17.977 1.00 0.00 O ATOM 0 H GLY A 84 12.086 0.005 19.102 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.508 0.945 20.215 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.027 1.380 20.972 1.00 0.00 H new ATOM 1339 N TYR A 85 10.201 3.415 19.424 1.00 0.00 N ATOM 1340 CA TYR A 85 10.264 4.596 18.583 1.00 0.00 C ATOM 1341 C TYR A 85 10.404 5.840 19.450 1.00 0.00 C ATOM 1342 O TYR A 85 10.319 5.766 20.674 1.00 0.00 O ATOM 1343 CB TYR A 85 9.008 4.700 17.705 1.00 0.00 C ATOM 1344 CG TYR A 85 7.717 4.806 18.492 1.00 0.00 C ATOM 1345 CD1 TYR A 85 7.233 6.039 18.911 1.00 0.00 C ATOM 1346 CD2 TYR A 85 6.989 3.670 18.823 1.00 0.00 C ATOM 1347 CE1 TYR A 85 6.064 6.139 19.636 1.00 0.00 C ATOM 1348 CE2 TYR A 85 5.817 3.762 19.551 1.00 0.00 C ATOM 1349 CZ TYR A 85 5.360 4.998 19.954 1.00 0.00 C ATOM 1350 OH TYR A 85 4.202 5.095 20.690 1.00 0.00 O ATOM 0 H TYR A 85 9.725 3.560 20.314 1.00 0.00 H new ATOM 0 HA TYR A 85 11.133 4.516 17.931 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.100 5.572 17.057 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.956 3.825 17.057 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.782 6.936 18.664 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.344 2.700 18.507 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.702 7.106 19.953 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.263 2.870 19.802 1.00 0.00 H new ATOM 0 HH TYR A 85 3.826 4.201 20.828 1.00 0.00 H new ATOM 1360 N THR A 86 10.630 6.980 18.815 1.00 0.00 N ATOM 1361 CA THR A 86 10.714 8.247 19.530 1.00 0.00 C ATOM 1362 C THR A 86 10.034 9.351 18.712 1.00 0.00 C ATOM 1363 O THR A 86 10.262 10.543 18.914 1.00 0.00 O ATOM 1364 CB THR A 86 12.187 8.607 19.825 1.00 0.00 C ATOM 1365 OG1 THR A 86 12.864 7.440 20.313 1.00 0.00 O ATOM 1366 CG2 THR A 86 12.296 9.713 20.867 1.00 0.00 C ATOM 0 H THR A 86 10.759 7.055 17.806 1.00 0.00 H new ATOM 0 HA THR A 86 10.196 8.151 20.484 1.00 0.00 H new ATOM 0 HB THR A 86 12.642 8.963 18.901 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.800 7.660 20.501 1.00 0.00 H new ATOM 0 HG21 THR A 86 13.347 9.939 21.049 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.790 10.607 20.503 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.830 9.385 21.796 1.00 0.00 H new ATOM 1374 N LEU A 87 9.168 8.931 17.797 1.00 0.00 N ATOM 1375 CA LEU A 87 8.447 9.860 16.938 1.00 0.00 C ATOM 1376 C LEU A 87 7.260 10.440 17.703 1.00 0.00 C ATOM 1377 O LEU A 87 6.230 9.783 17.875 1.00 0.00 O ATOM 1378 CB LEU A 87 7.987 9.141 15.656 1.00 0.00 C ATOM 1379 CG LEU A 87 7.656 10.038 14.451 1.00 0.00 C ATOM 1380 CD1 LEU A 87 6.352 10.793 14.657 1.00 0.00 C ATOM 1381 CD2 LEU A 87 8.794 11.014 14.185 1.00 0.00 C ATOM 0 H LEU A 87 8.948 7.949 17.631 1.00 0.00 H new ATOM 0 HA LEU A 87 9.104 10.679 16.646 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.768 8.442 15.357 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.103 8.549 15.894 1.00 0.00 H new ATOM 0 HG LEU A 87 7.533 9.391 13.582 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.151 11.416 13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.537 10.082 14.790 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.432 11.423 15.543 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.543 11.641 13.329 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.947 11.642 15.063 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.707 10.459 13.973 1.00 0.00 H new ATOM 1393 N GLU A 88 7.425 11.662 18.183 1.00 0.00 N ATOM 1394 CA GLU A 88 6.388 12.334 18.955 1.00 0.00 C ATOM 1395 C GLU A 88 5.411 13.064 18.040 1.00 0.00 C ATOM 1396 O GLU A 88 4.215 13.151 18.330 1.00 0.00 O ATOM 1397 CB GLU A 88 7.014 13.311 19.965 1.00 0.00 C ATOM 1398 CG GLU A 88 8.383 13.859 19.565 1.00 0.00 C ATOM 1399 CD GLU A 88 8.374 14.647 18.268 1.00 0.00 C ATOM 1400 OE1 GLU A 88 8.098 15.863 18.305 1.00 0.00 O ATOM 1401 OE2 GLU A 88 8.643 14.051 17.201 1.00 0.00 O ATOM 0 H GLU A 88 8.273 12.213 18.051 1.00 0.00 H new ATOM 0 HA GLU A 88 5.832 11.575 19.506 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.331 14.149 20.109 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.107 12.806 20.927 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.755 14.499 20.365 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.082 13.028 19.469 1.00 0.00 H new ATOM 1408 N HIS A 89 5.940 13.563 16.930 1.00 0.00 N ATOM 1409 CA HIS A 89 5.175 14.329 15.957 1.00 0.00 C ATOM 1410 C HIS A 89 4.553 15.559 16.614 1.00 0.00 C ATOM 1411 O HIS A 89 3.330 15.684 16.700 1.00 0.00 O ATOM 1412 CB HIS A 89 4.098 13.465 15.281 1.00 0.00 C ATOM 1413 CG HIS A 89 3.428 14.143 14.120 1.00 0.00 C ATOM 1414 ND1 HIS A 89 2.088 13.999 13.827 1.00 0.00 N ATOM 1415 CD2 HIS A 89 3.927 14.981 13.181 1.00 0.00 C ATOM 1416 CE1 HIS A 89 1.794 14.721 12.761 1.00 0.00 C ATOM 1417 NE2 HIS A 89 2.892 15.327 12.348 1.00 0.00 N ATOM 0 H HIS A 89 6.921 13.446 16.678 1.00 0.00 H new ATOM 0 HA HIS A 89 5.862 14.663 15.179 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.552 12.536 14.936 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.343 13.196 16.020 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.951 15.316 13.102 1.00 0.00 H new ATOM 0 HE1 HIS A 89 0.819 14.802 12.304 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.960 15.950 11.543 1.00 0.00 H new ATOM 1426 N HIS A 90 5.405 16.449 17.102 1.00 0.00 N ATOM 1427 CA HIS A 90 4.949 17.717 17.651 1.00 0.00 C ATOM 1428 C HIS A 90 4.268 18.532 16.559 1.00 0.00 C ATOM 1429 O HIS A 90 4.911 18.952 15.599 1.00 0.00 O ATOM 1430 CB HIS A 90 6.126 18.501 18.251 1.00 0.00 C ATOM 1431 CG HIS A 90 5.741 19.843 18.799 1.00 0.00 C ATOM 1432 ND1 HIS A 90 6.315 21.025 18.379 1.00 0.00 N ATOM 1433 CD2 HIS A 90 4.829 20.186 19.740 1.00 0.00 C ATOM 1434 CE1 HIS A 90 5.771 22.034 19.034 1.00 0.00 C ATOM 1435 NE2 HIS A 90 4.865 21.551 19.861 1.00 0.00 N ATOM 0 H HIS A 90 6.416 16.316 17.129 1.00 0.00 H new ATOM 0 HA HIS A 90 4.232 17.520 18.448 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.577 17.909 19.048 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.889 18.637 17.484 1.00 0.00 H new ATOM 0 HD2 HIS A 90 4.192 19.510 20.292 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.025 23.077 18.913 1.00 0.00 H new ATOM 0 HE2 HIS A 90 4.284 22.105 20.490 1.00 0.00 H new ATOM 1444 N HIS A 91 2.967 18.732 16.697 1.00 0.00 N ATOM 1445 CA HIS A 91 2.202 19.444 15.682 1.00 0.00 C ATOM 1446 C HIS A 91 2.567 20.924 15.665 1.00 0.00 C ATOM 1447 O HIS A 91 2.609 21.580 16.706 1.00 0.00 O ATOM 1448 CB HIS A 91 0.688 19.259 15.889 1.00 0.00 C ATOM 1449 CG HIS A 91 0.145 19.840 17.164 1.00 0.00 C ATOM 1450 ND1 HIS A 91 -0.361 21.116 17.251 1.00 0.00 N ATOM 1451 CD2 HIS A 91 0.009 19.303 18.399 1.00 0.00 C ATOM 1452 CE1 HIS A 91 -0.779 21.339 18.481 1.00 0.00 C ATOM 1453 NE2 HIS A 91 -0.569 20.255 19.200 1.00 0.00 N ATOM 0 H HIS A 91 2.420 18.414 17.497 1.00 0.00 H new ATOM 0 HA HIS A 91 2.461 19.016 14.713 1.00 0.00 H new ATOM 0 HB2 HIS A 91 0.164 19.713 15.048 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.461 18.193 15.868 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.302 18.308 18.699 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.220 22.257 18.840 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.798 20.142 20.188 1.00 0.00 H new ATOM 1462 N HIS A 92 2.859 21.428 14.479 1.00 0.00 N ATOM 1463 CA HIS A 92 3.174 22.835 14.294 1.00 0.00 C ATOM 1464 C HIS A 92 2.465 23.350 13.045 1.00 0.00 C ATOM 1465 O HIS A 92 2.690 22.848 11.946 1.00 0.00 O ATOM 1466 CB HIS A 92 4.693 23.023 14.179 1.00 0.00 C ATOM 1467 CG HIS A 92 5.136 24.453 14.067 1.00 0.00 C ATOM 1468 ND1 HIS A 92 5.765 25.131 15.089 1.00 0.00 N ATOM 1469 CD2 HIS A 92 5.053 25.332 13.038 1.00 0.00 C ATOM 1470 CE1 HIS A 92 6.045 26.358 14.695 1.00 0.00 C ATOM 1471 NE2 HIS A 92 5.624 26.507 13.455 1.00 0.00 N ATOM 0 H HIS A 92 2.885 20.878 13.621 1.00 0.00 H new ATOM 0 HA HIS A 92 2.827 23.406 15.155 1.00 0.00 H new ATOM 0 HB2 HIS A 92 5.169 22.576 15.052 1.00 0.00 H new ATOM 0 HB3 HIS A 92 5.049 22.476 13.306 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.617 25.142 12.068 1.00 0.00 H new ATOM 0 HE1 HIS A 92 6.537 27.114 15.289 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.709 27.357 12.897 1.00 0.00 H new ATOM 1480 N HIS A 93 1.600 24.336 13.221 1.00 0.00 N ATOM 1481 CA HIS A 93 0.837 24.884 12.105 1.00 0.00 C ATOM 1482 C HIS A 93 1.551 26.076 11.488 1.00 0.00 C ATOM 1483 O HIS A 93 2.338 26.748 12.153 1.00 0.00 O ATOM 1484 CB HIS A 93 -0.569 25.292 12.548 1.00 0.00 C ATOM 1485 CG HIS A 93 -1.488 24.134 12.788 1.00 0.00 C ATOM 1486 ND1 HIS A 93 -2.634 24.231 13.543 1.00 0.00 N ATOM 1487 CD2 HIS A 93 -1.430 22.851 12.359 1.00 0.00 C ATOM 1488 CE1 HIS A 93 -3.240 23.060 13.570 1.00 0.00 C ATOM 1489 NE2 HIS A 93 -2.532 22.205 12.859 1.00 0.00 N ATOM 0 H HIS A 93 1.407 24.774 14.122 1.00 0.00 H new ATOM 0 HA HIS A 93 0.752 24.101 11.352 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.495 25.880 13.463 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.006 25.939 11.787 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.660 22.417 11.739 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -4.162 22.839 14.088 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.765 21.224 12.706 1.00 0.00 H new ATOM 1498 N HIS A 94 1.242 26.333 10.221 1.00 0.00 N ATOM 1499 CA HIS A 94 1.859 27.412 9.453 1.00 0.00 C ATOM 1500 C HIS A 94 3.361 27.196 9.345 1.00 0.00 C ATOM 1501 O HIS A 94 4.122 27.880 10.054 1.00 0.00 O ATOM 1502 CB HIS A 94 1.555 28.787 10.068 1.00 0.00 C ATOM 1503 CG HIS A 94 0.092 29.079 10.182 1.00 0.00 C ATOM 1504 ND1 HIS A 94 -0.682 29.478 9.118 1.00 0.00 N ATOM 1505 CD2 HIS A 94 -0.741 29.009 11.245 1.00 0.00 C ATOM 1506 CE1 HIS A 94 -1.928 29.644 9.520 1.00 0.00 C ATOM 1507 NE2 HIS A 94 -1.993 29.364 10.809 1.00 0.00 N ATOM 1508 OXT HIS A 94 3.776 26.319 8.560 1.00 0.00 O ATOM 0 H HIS A 94 0.553 25.796 9.694 1.00 0.00 H new ATOM 0 HA HIS A 94 1.429 27.395 8.452 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.007 28.841 11.059 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.026 29.560 9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.471 28.726 12.252 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.755 29.956 8.900 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.834 29.405 11.385 1.00 0.00 H new TER 1517 HIS A 94