USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0812 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0952 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 48:sc= -0.984 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= 0.142 (180deg=0.0273) USER MOD Single : A 17 MET CE :methyl 172:sc= -0.105 (180deg=-0.31) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -4.25! C(o=-4.3!,f=-15!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -112:sc= -0.968 USER MOD Single : A 38 MET CE :methyl -105:sc= -2.66 (180deg=-5.87!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-4.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 80 ASN : amide:sc= -3.03! C(o=-3!,f=-6.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.49) USER MOD Single : A 86 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-1.1) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 92 SER OG : rot -54:sc= 0.0909 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.672 3.986 21.065 1.00 0.00 N ATOM 2 CA GLY A 1 2.622 5.277 21.726 1.00 0.00 C ATOM 3 C GLY A 1 1.940 6.335 20.883 1.00 0.00 C ATOM 4 O GLY A 1 1.349 6.028 19.848 1.00 0.00 O ATOM 0 H1 GLY A 1 2.183 3.278 21.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.205 4.052 20.138 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.664 3.701 20.934 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.093 5.176 22.674 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.636 5.601 21.960 1.00 0.00 H new ATOM 8 N SER A 2 2.021 7.586 21.326 1.00 0.00 N ATOM 9 CA SER A 2 1.402 8.693 20.607 1.00 0.00 C ATOM 10 C SER A 2 2.179 9.987 20.829 1.00 0.00 C ATOM 11 O SER A 2 1.983 10.678 21.828 1.00 0.00 O ATOM 12 CB SER A 2 -0.049 8.873 21.056 1.00 0.00 C ATOM 13 OG SER A 2 -0.453 7.818 21.911 1.00 0.00 O ATOM 0 H SER A 2 2.509 7.858 22.179 1.00 0.00 H new ATOM 0 HA SER A 2 1.419 8.457 19.543 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.157 9.826 21.573 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.701 8.908 20.183 1.00 0.00 H new ATOM 0 HG SER A 2 -1.384 7.957 22.185 1.00 0.00 H new ATOM 19 N SER A 3 3.062 10.308 19.889 1.00 0.00 N ATOM 20 CA SER A 3 3.872 11.517 19.982 1.00 0.00 C ATOM 21 C SER A 3 4.690 11.722 18.710 1.00 0.00 C ATOM 22 O SER A 3 5.661 11.009 18.461 1.00 0.00 O ATOM 23 CB SER A 3 4.803 11.440 21.194 1.00 0.00 C ATOM 24 OG SER A 3 5.282 12.725 21.551 1.00 0.00 O ATOM 0 H SER A 3 3.235 9.748 19.054 1.00 0.00 H new ATOM 0 HA SER A 3 3.200 12.367 20.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.272 10.999 22.037 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.644 10.784 20.969 1.00 0.00 H new ATOM 0 HG SER A 3 5.873 12.649 22.329 1.00 0.00 H new ATOM 30 N GLY A 4 4.289 12.705 17.909 1.00 0.00 N ATOM 31 CA GLY A 4 4.995 12.987 16.672 1.00 0.00 C ATOM 32 C GLY A 4 4.200 12.584 15.446 1.00 0.00 C ATOM 33 O GLY A 4 4.367 13.161 14.372 1.00 0.00 O ATOM 0 H GLY A 4 3.489 13.310 18.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.221 14.052 16.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.948 12.459 16.673 1.00 0.00 H new ATOM 37 N SER A 5 3.335 11.587 15.606 1.00 0.00 N ATOM 38 CA SER A 5 2.516 11.103 14.501 1.00 0.00 C ATOM 39 C SER A 5 1.642 12.221 13.941 1.00 0.00 C ATOM 40 O SER A 5 0.889 12.862 14.674 1.00 0.00 O ATOM 41 CB SER A 5 1.638 9.937 14.962 1.00 0.00 C ATOM 42 OG SER A 5 2.195 9.297 16.097 1.00 0.00 O ATOM 0 H SER A 5 3.184 11.099 16.489 1.00 0.00 H new ATOM 0 HA SER A 5 3.183 10.757 13.711 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.639 10.302 15.200 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.529 9.217 14.151 1.00 0.00 H new ATOM 0 HG SER A 5 1.615 8.557 16.373 1.00 0.00 H new ATOM 48 N SER A 6 1.748 12.449 12.636 1.00 0.00 N ATOM 49 CA SER A 6 0.972 13.493 11.976 1.00 0.00 C ATOM 50 C SER A 6 0.436 13.004 10.634 1.00 0.00 C ATOM 51 O SER A 6 -0.746 13.163 10.330 1.00 0.00 O ATOM 52 CB SER A 6 1.829 14.744 11.772 1.00 0.00 C ATOM 53 OG SER A 6 1.042 15.919 11.853 1.00 0.00 O ATOM 0 H SER A 6 2.364 11.925 12.014 1.00 0.00 H new ATOM 0 HA SER A 6 0.126 13.743 12.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.616 14.777 12.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.320 14.698 10.800 1.00 0.00 H new ATOM 0 HG SER A 6 1.613 16.705 11.721 1.00 0.00 H new ATOM 59 N GLY A 7 1.315 12.409 9.833 1.00 0.00 N ATOM 60 CA GLY A 7 0.913 11.907 8.533 1.00 0.00 C ATOM 61 C GLY A 7 0.186 10.580 8.623 1.00 0.00 C ATOM 62 O GLY A 7 -0.940 10.513 9.117 1.00 0.00 O ATOM 0 H GLY A 7 2.299 12.266 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.267 12.639 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.795 11.793 7.903 1.00 0.00 H new ATOM 66 N PHE A 8 0.830 9.521 8.145 1.00 0.00 N ATOM 67 CA PHE A 8 0.237 8.189 8.171 1.00 0.00 C ATOM 68 C PHE A 8 1.270 7.141 8.577 1.00 0.00 C ATOM 69 O PHE A 8 2.253 6.915 7.871 1.00 0.00 O ATOM 70 CB PHE A 8 -0.348 7.841 6.801 1.00 0.00 C ATOM 71 CG PHE A 8 -1.661 8.514 6.521 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.840 8.010 7.047 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.717 9.652 5.733 1.00 0.00 C ATOM 74 CE1 PHE A 8 -4.049 8.627 6.791 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.924 10.274 5.473 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.091 9.762 6.003 1.00 0.00 C ATOM 0 H PHE A 8 1.763 9.559 7.735 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.564 8.190 8.911 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.367 8.122 6.028 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.481 6.761 6.735 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.813 7.124 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.807 10.058 5.317 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.961 8.223 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.954 11.160 4.856 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.035 10.247 5.803 1.00 0.00 H new ATOM 86 N THR A 9 1.039 6.504 9.721 1.00 0.00 N ATOM 87 CA THR A 9 1.949 5.481 10.222 1.00 0.00 C ATOM 88 C THR A 9 1.227 4.154 10.424 1.00 0.00 C ATOM 89 O THR A 9 0.132 4.112 10.986 1.00 0.00 O ATOM 90 CB THR A 9 2.596 5.909 11.553 1.00 0.00 C ATOM 91 OG1 THR A 9 1.885 7.022 12.108 1.00 0.00 O ATOM 92 CG2 THR A 9 4.056 6.284 11.350 1.00 0.00 C ATOM 0 H THR A 9 0.230 6.678 10.318 1.00 0.00 H new ATOM 0 HA THR A 9 2.729 5.356 9.471 1.00 0.00 H new ATOM 0 HB THR A 9 2.547 5.066 12.242 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.301 7.287 12.955 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.491 6.583 12.304 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.601 5.426 10.956 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.124 7.112 10.645 1.00 0.00 H new ATOM 100 N CYS A 10 1.847 3.073 9.964 1.00 0.00 N ATOM 101 CA CYS A 10 1.262 1.743 10.094 1.00 0.00 C ATOM 102 C CYS A 10 1.472 1.193 11.501 1.00 0.00 C ATOM 103 O CYS A 10 2.580 1.198 12.038 1.00 0.00 O ATOM 104 CB CYS A 10 1.874 0.791 9.065 1.00 0.00 C ATOM 105 SG CYS A 10 0.859 -0.663 8.710 1.00 0.00 S ATOM 0 H CYS A 10 2.754 3.091 9.498 1.00 0.00 H new ATOM 0 HA CYS A 10 0.191 1.824 9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.045 1.337 8.137 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.849 0.461 9.425 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.368 -0.293 8.490 1.00 0.00 H new ATOM 111 N PRO A 11 0.383 0.707 12.115 1.00 0.00 N ATOM 112 CA PRO A 11 0.422 0.145 13.469 1.00 0.00 C ATOM 113 C PRO A 11 1.166 -1.185 13.523 1.00 0.00 C ATOM 114 O PRO A 11 1.421 -1.720 14.602 1.00 0.00 O ATOM 115 CB PRO A 11 -1.057 -0.055 13.812 1.00 0.00 C ATOM 116 CG PRO A 11 -1.735 -0.202 12.494 1.00 0.00 C ATOM 117 CD PRO A 11 -0.970 0.668 11.535 1.00 0.00 C ATOM 0 HA PRO A 11 0.951 0.795 14.166 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.203 -0.939 14.433 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.453 0.795 14.368 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.730 -1.242 12.167 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.778 0.108 12.555 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.964 0.248 10.529 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.405 1.665 11.462 1.00 0.00 H new ATOM 125 N ILE A 12 1.512 -1.713 12.354 1.00 0.00 N ATOM 126 CA ILE A 12 2.228 -2.979 12.269 1.00 0.00 C ATOM 127 C ILE A 12 3.727 -2.753 12.104 1.00 0.00 C ATOM 128 O ILE A 12 4.527 -3.190 12.932 1.00 0.00 O ATOM 129 CB ILE A 12 1.718 -3.838 11.097 1.00 0.00 C ATOM 130 CG1 ILE A 12 0.221 -4.113 11.252 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.497 -5.142 11.017 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.439 -4.597 9.980 1.00 0.00 C ATOM 0 H ILE A 12 1.308 -1.283 11.452 1.00 0.00 H new ATOM 0 HA ILE A 12 2.043 -3.508 13.204 1.00 0.00 H new ATOM 0 HB ILE A 12 1.873 -3.288 10.169 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.076 -4.859 12.034 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.275 -3.201 11.585 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.125 -5.738 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.554 -4.925 10.864 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.371 -5.699 11.946 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.499 -4.772 10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.325 -3.843 9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.031 -5.526 9.657 1.00 0.00 H new ATOM 144 N THR A 13 4.102 -2.065 11.030 1.00 0.00 N ATOM 145 CA THR A 13 5.504 -1.779 10.756 1.00 0.00 C ATOM 146 C THR A 13 5.995 -0.593 11.579 1.00 0.00 C ATOM 147 O THR A 13 7.190 -0.303 11.618 1.00 0.00 O ATOM 148 CB THR A 13 5.736 -1.483 9.262 1.00 0.00 C ATOM 149 OG1 THR A 13 4.873 -0.425 8.833 1.00 0.00 O ATOM 150 CG2 THR A 13 5.483 -2.724 8.420 1.00 0.00 C ATOM 0 H THR A 13 3.453 -1.695 10.335 1.00 0.00 H new ATOM 0 HA THR A 13 6.068 -2.669 11.034 1.00 0.00 H new ATOM 0 HB THR A 13 6.775 -1.179 9.131 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.028 -0.242 7.883 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.653 -2.491 7.369 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.162 -3.519 8.730 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.453 -3.053 8.557 1.00 0.00 H new ATOM 158 N LYS A 14 5.064 0.089 12.238 1.00 0.00 N ATOM 159 CA LYS A 14 5.401 1.243 13.063 1.00 0.00 C ATOM 160 C LYS A 14 6.170 2.283 12.255 1.00 0.00 C ATOM 161 O LYS A 14 6.938 3.069 12.810 1.00 0.00 O ATOM 162 CB LYS A 14 6.230 0.806 14.273 1.00 0.00 C ATOM 163 CG LYS A 14 5.390 0.342 15.450 1.00 0.00 C ATOM 164 CD LYS A 14 4.568 -0.887 15.098 1.00 0.00 C ATOM 165 CE LYS A 14 4.465 -1.844 16.275 1.00 0.00 C ATOM 166 NZ LYS A 14 5.218 -3.106 16.031 1.00 0.00 N ATOM 0 H LYS A 14 4.070 -0.138 12.217 1.00 0.00 H new ATOM 0 HA LYS A 14 4.472 1.694 13.411 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.898 -0.002 13.973 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.859 1.637 14.591 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.040 0.116 16.296 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.726 1.147 15.764 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.569 -0.581 14.788 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.022 -1.399 14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.850 -1.359 17.172 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.417 -2.077 16.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.865 -3.849 16.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.085 -3.404 15.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.230 -2.947 16.212 1.00 0.00 H new ATOM 180 N GLU A 15 5.958 2.283 10.943 1.00 0.00 N ATOM 181 CA GLU A 15 6.632 3.228 10.060 1.00 0.00 C ATOM 182 C GLU A 15 5.630 3.933 9.150 1.00 0.00 C ATOM 183 O GLU A 15 4.419 3.791 9.317 1.00 0.00 O ATOM 184 CB GLU A 15 7.686 2.509 9.216 1.00 0.00 C ATOM 185 CG GLU A 15 8.635 1.647 10.031 1.00 0.00 C ATOM 186 CD GLU A 15 10.092 1.932 9.723 1.00 0.00 C ATOM 187 OE1 GLU A 15 10.606 2.969 10.191 1.00 0.00 O ATOM 188 OE2 GLU A 15 10.718 1.116 9.014 1.00 0.00 O ATOM 0 H GLU A 15 5.325 1.639 10.468 1.00 0.00 H new ATOM 0 HA GLU A 15 7.123 3.978 10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.183 1.883 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.265 3.250 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.452 1.815 11.092 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.425 0.596 9.834 1.00 0.00 H new ATOM 195 N GLU A 16 6.145 4.693 8.189 1.00 0.00 N ATOM 196 CA GLU A 16 5.295 5.421 7.254 1.00 0.00 C ATOM 197 C GLU A 16 4.592 4.462 6.297 1.00 0.00 C ATOM 198 O GLU A 16 5.082 3.364 6.031 1.00 0.00 O ATOM 199 CB GLU A 16 6.122 6.434 6.461 1.00 0.00 C ATOM 200 CG GLU A 16 5.369 7.713 6.135 1.00 0.00 C ATOM 201 CD GLU A 16 6.143 8.624 5.202 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.844 8.101 4.310 1.00 0.00 O ATOM 203 OE2 GLU A 16 6.048 9.858 5.363 1.00 0.00 O ATOM 0 H GLU A 16 7.146 4.821 8.037 1.00 0.00 H new ATOM 0 HA GLU A 16 4.538 5.952 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.017 6.685 7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.454 5.971 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.412 7.460 5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.150 8.247 7.060 1.00 0.00 H new ATOM 210 N MET A 17 3.441 4.884 5.784 1.00 0.00 N ATOM 211 CA MET A 17 2.671 4.064 4.857 1.00 0.00 C ATOM 212 C MET A 17 2.770 4.610 3.436 1.00 0.00 C ATOM 213 O MET A 17 2.817 5.823 3.228 1.00 0.00 O ATOM 214 CB MET A 17 1.205 4.004 5.292 1.00 0.00 C ATOM 215 CG MET A 17 1.021 3.652 6.759 1.00 0.00 C ATOM 216 SD MET A 17 -0.548 2.824 7.082 1.00 0.00 S ATOM 217 CE MET A 17 -1.708 4.134 6.700 1.00 0.00 C ATOM 0 H MET A 17 3.021 5.789 5.995 1.00 0.00 H new ATOM 0 HA MET A 17 3.088 3.057 4.870 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.737 4.969 5.097 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.683 3.267 4.682 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.840 3.008 7.080 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.077 4.562 7.357 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.723 3.737 6.714 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.619 4.927 7.442 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.489 4.537 5.711 1.00 0.00 H new ATOM 227 N LYS A 18 2.802 3.708 2.461 1.00 0.00 N ATOM 228 CA LYS A 18 2.895 4.099 1.059 1.00 0.00 C ATOM 229 C LYS A 18 1.668 3.633 0.282 1.00 0.00 C ATOM 230 O LYS A 18 1.221 4.299 -0.652 1.00 0.00 O ATOM 231 CB LYS A 18 4.162 3.517 0.429 1.00 0.00 C ATOM 232 CG LYS A 18 5.440 3.940 1.132 1.00 0.00 C ATOM 233 CD LYS A 18 5.832 5.362 0.768 1.00 0.00 C ATOM 234 CE LYS A 18 7.324 5.594 0.955 1.00 0.00 C ATOM 235 NZ LYS A 18 8.090 5.311 -0.291 1.00 0.00 N ATOM 0 H LYS A 18 2.765 2.701 2.616 1.00 0.00 H new ATOM 0 HA LYS A 18 2.941 5.187 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.095 2.429 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.213 3.825 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.305 3.864 2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.247 3.259 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.559 5.562 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.273 6.064 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.496 6.626 1.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.692 4.958 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.102 5.481 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.947 4.319 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.756 5.935 -1.053 1.00 0.00 H new ATOM 249 N LYS A 19 1.125 2.485 0.675 1.00 0.00 N ATOM 250 CA LYS A 19 -0.053 1.931 0.018 1.00 0.00 C ATOM 251 C LYS A 19 -1.173 1.688 1.024 1.00 0.00 C ATOM 252 O LYS A 19 -1.362 0.579 1.524 1.00 0.00 O ATOM 253 CB LYS A 19 0.302 0.622 -0.691 1.00 0.00 C ATOM 254 CG LYS A 19 1.019 0.823 -2.016 1.00 0.00 C ATOM 255 CD LYS A 19 2.477 0.404 -1.930 1.00 0.00 C ATOM 256 CE LYS A 19 3.132 0.381 -3.302 1.00 0.00 C ATOM 257 NZ LYS A 19 3.165 -0.993 -3.877 1.00 0.00 N ATOM 0 H LYS A 19 1.482 1.920 1.446 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.401 2.654 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.932 0.022 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.611 0.053 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.519 0.245 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.957 1.871 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.017 1.092 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.546 -0.584 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.588 1.044 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.148 0.768 -3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.619 -0.967 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.705 -1.620 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.194 -1.352 -3.973 1.00 0.00 H new ATOM 271 N PRO A 20 -1.937 2.748 1.328 1.00 0.00 N ATOM 272 CA PRO A 20 -3.054 2.674 2.275 1.00 0.00 C ATOM 273 C PRO A 20 -4.224 1.863 1.729 1.00 0.00 C ATOM 274 O PRO A 20 -4.736 2.146 0.645 1.00 0.00 O ATOM 275 CB PRO A 20 -3.458 4.138 2.461 1.00 0.00 C ATOM 276 CG PRO A 20 -3.017 4.816 1.210 1.00 0.00 C ATOM 277 CD PRO A 20 -1.770 4.100 0.769 1.00 0.00 C ATOM 0 HA PRO A 20 -2.771 2.175 3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.534 4.236 2.606 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.977 4.573 3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.790 4.762 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.818 5.873 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.682 4.078 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.872 4.585 1.151 1.00 0.00 H new ATOM 285 N VAL A 21 -4.644 0.855 2.486 1.00 0.00 N ATOM 286 CA VAL A 21 -5.756 0.004 2.078 1.00 0.00 C ATOM 287 C VAL A 21 -6.873 0.025 3.116 1.00 0.00 C ATOM 288 O VAL A 21 -6.642 -0.230 4.298 1.00 0.00 O ATOM 289 CB VAL A 21 -5.299 -1.451 1.861 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.324 -1.537 0.697 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.674 -2.008 3.132 1.00 0.00 C ATOM 0 H VAL A 21 -4.231 0.607 3.385 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.132 0.403 1.136 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.173 -2.055 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.012 -2.572 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.809 -1.180 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.450 -0.920 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.357 -3.037 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.810 -1.403 3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.407 -1.984 3.939 1.00 0.00 H new ATOM 301 N LYS A 22 -8.085 0.330 2.665 1.00 0.00 N ATOM 302 CA LYS A 22 -9.240 0.383 3.553 1.00 0.00 C ATOM 303 C LYS A 22 -10.033 -0.919 3.493 1.00 0.00 C ATOM 304 O LYS A 22 -10.117 -1.557 2.445 1.00 0.00 O ATOM 305 CB LYS A 22 -10.144 1.560 3.178 1.00 0.00 C ATOM 306 CG LYS A 22 -11.154 1.918 4.254 1.00 0.00 C ATOM 307 CD LYS A 22 -12.385 2.585 3.663 1.00 0.00 C ATOM 308 CE LYS A 22 -13.225 1.598 2.867 1.00 0.00 C ATOM 309 NZ LYS A 22 -13.827 2.230 1.660 1.00 0.00 N ATOM 0 H LYS A 22 -8.293 0.544 1.690 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.877 0.521 4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.524 2.432 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.676 1.320 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.450 1.017 4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.691 2.585 4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.987 3.014 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.080 3.408 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.605 0.754 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.017 1.200 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.392 1.525 1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.439 3.019 1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.071 2.587 1.042 1.00 0.00 H new ATOM 323 N ASN A 23 -10.612 -1.307 4.625 1.00 0.00 N ATOM 324 CA ASN A 23 -11.399 -2.532 4.700 1.00 0.00 C ATOM 325 C ASN A 23 -12.890 -2.229 4.599 1.00 0.00 C ATOM 326 O ASN A 23 -13.364 -1.211 5.104 1.00 0.00 O ATOM 327 CB ASN A 23 -11.105 -3.272 6.007 1.00 0.00 C ATOM 328 CG ASN A 23 -11.368 -4.762 5.900 1.00 0.00 C ATOM 329 OD1 ASN A 23 -12.341 -5.188 5.278 1.00 0.00 O ATOM 330 ND2 ASN A 23 -10.499 -5.561 6.508 1.00 0.00 N ATOM 0 H ASN A 23 -10.551 -0.791 5.503 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.118 -3.166 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.064 -3.109 6.288 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.719 -2.854 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.624 -6.573 6.471 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.707 -5.163 7.012 1.00 0.00 H new ATOM 337 N LYS A 24 -13.626 -3.120 3.943 1.00 0.00 N ATOM 338 CA LYS A 24 -15.065 -2.950 3.776 1.00 0.00 C ATOM 339 C LYS A 24 -15.817 -3.434 5.012 1.00 0.00 C ATOM 340 O LYS A 24 -16.959 -3.040 5.250 1.00 0.00 O ATOM 341 CB LYS A 24 -15.549 -3.712 2.541 1.00 0.00 C ATOM 342 CG LYS A 24 -15.294 -5.208 2.610 1.00 0.00 C ATOM 343 CD LYS A 24 -15.071 -5.800 1.228 1.00 0.00 C ATOM 344 CE LYS A 24 -16.329 -5.716 0.377 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.415 -6.839 -0.598 1.00 0.00 N ATOM 0 H LYS A 24 -13.250 -3.967 3.518 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.267 -1.887 3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.618 -3.540 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.054 -3.308 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.422 -5.401 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.142 -5.701 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.258 -5.271 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.763 -6.841 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.206 -5.728 1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.342 -4.767 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.286 -6.746 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.591 -6.813 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.429 -7.744 -0.085 1.00 0.00 H new ATOM 359 N VAL A 25 -15.169 -4.289 5.797 1.00 0.00 N ATOM 360 CA VAL A 25 -15.775 -4.824 7.010 1.00 0.00 C ATOM 361 C VAL A 25 -15.781 -3.786 8.126 1.00 0.00 C ATOM 362 O VAL A 25 -16.840 -3.330 8.560 1.00 0.00 O ATOM 363 CB VAL A 25 -15.035 -6.083 7.499 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.794 -6.738 8.643 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.834 -7.062 6.352 1.00 0.00 C ATOM 0 H VAL A 25 -14.224 -4.626 5.614 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.802 -5.089 6.760 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.054 -5.786 7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.256 -7.626 8.975 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.881 -6.035 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.790 -7.023 8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.310 -7.946 6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.804 -7.355 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.244 -6.587 5.568 1.00 0.00 H new ATOM 375 N CYS A 26 -14.592 -3.414 8.586 1.00 0.00 N ATOM 376 CA CYS A 26 -14.458 -2.428 9.652 1.00 0.00 C ATOM 377 C CYS A 26 -14.403 -1.014 9.082 1.00 0.00 C ATOM 378 O CYS A 26 -15.278 -0.192 9.348 1.00 0.00 O ATOM 379 CB CYS A 26 -13.200 -2.706 10.477 1.00 0.00 C ATOM 380 SG CYS A 26 -12.827 -1.426 11.719 1.00 0.00 S ATOM 0 H CYS A 26 -13.706 -3.781 8.237 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.333 -2.507 10.297 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.314 -3.665 10.982 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.349 -2.801 9.802 1.00 0.00 H new ATOM 385 N GLY A 27 -13.368 -0.739 8.295 1.00 0.00 N ATOM 386 CA GLY A 27 -13.217 0.576 7.699 1.00 0.00 C ATOM 387 C GLY A 27 -11.836 1.159 7.920 1.00 0.00 C ATOM 388 O GLY A 27 -11.427 2.088 7.223 1.00 0.00 O ATOM 0 H GLY A 27 -12.631 -1.403 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.413 0.511 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.964 1.250 8.119 1.00 0.00 H new ATOM 392 N HIS A 28 -11.115 0.613 8.895 1.00 0.00 N ATOM 393 CA HIS A 28 -9.771 1.086 9.208 1.00 0.00 C ATOM 394 C HIS A 28 -8.881 1.052 7.969 1.00 0.00 C ATOM 395 O HIS A 28 -9.291 0.576 6.909 1.00 0.00 O ATOM 396 CB HIS A 28 -9.153 0.235 10.317 1.00 0.00 C ATOM 397 CG HIS A 28 -9.417 0.761 11.694 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.733 -0.050 12.763 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.408 2.027 12.174 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.909 0.693 13.840 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.717 1.957 13.510 1.00 0.00 N ATOM 0 H HIS A 28 -11.439 -0.156 9.481 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.847 2.118 9.552 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.543 -0.780 10.244 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.076 0.175 10.160 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.197 2.924 11.611 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.166 0.329 14.824 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.787 2.752 14.145 1.00 0.00 H new ATOM 409 N THR A 29 -7.661 1.562 8.108 1.00 0.00 N ATOM 410 CA THR A 29 -6.714 1.592 7.000 1.00 0.00 C ATOM 411 C THR A 29 -5.343 1.088 7.435 1.00 0.00 C ATOM 412 O THR A 29 -4.894 1.362 8.549 1.00 0.00 O ATOM 413 CB THR A 29 -6.567 3.013 6.425 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.282 3.948 7.241 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.089 3.075 4.997 1.00 0.00 C ATOM 0 H THR A 29 -7.306 1.960 8.977 1.00 0.00 H new ATOM 0 HA THR A 29 -7.111 0.934 6.227 1.00 0.00 H new ATOM 0 HB THR A 29 -5.508 3.272 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.182 4.849 6.870 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.975 4.088 4.612 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.523 2.383 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.143 2.798 4.983 1.00 0.00 H new ATOM 423 N TYR A 30 -4.681 0.350 6.551 1.00 0.00 N ATOM 424 CA TYR A 30 -3.360 -0.194 6.845 1.00 0.00 C ATOM 425 C TYR A 30 -2.480 -0.189 5.599 1.00 0.00 C ATOM 426 O TYR A 30 -2.921 0.193 4.516 1.00 0.00 O ATOM 427 CB TYR A 30 -3.482 -1.617 7.391 1.00 0.00 C ATOM 428 CG TYR A 30 -4.685 -1.823 8.283 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.700 -1.338 9.585 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.807 -2.502 7.824 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.797 -1.524 10.404 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.909 -2.692 8.636 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.899 -2.201 9.925 1.00 0.00 C ATOM 434 OH TYR A 30 -7.994 -2.389 10.737 1.00 0.00 O ATOM 0 H TYR A 30 -5.037 0.115 5.625 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.894 0.439 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.537 -2.314 6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.579 -1.861 7.951 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.839 -0.806 9.963 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.818 -2.888 6.815 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.792 -1.141 11.414 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.773 -3.222 8.263 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.085 -3.342 10.949 1.00 0.00 H new ATOM 444 N GLU A 31 -1.231 -0.615 5.763 1.00 0.00 N ATOM 445 CA GLU A 31 -0.288 -0.660 4.652 1.00 0.00 C ATOM 446 C GLU A 31 -0.407 -1.976 3.889 1.00 0.00 C ATOM 447 O GLU A 31 -0.682 -3.022 4.476 1.00 0.00 O ATOM 448 CB GLU A 31 1.144 -0.482 5.163 1.00 0.00 C ATOM 449 CG GLU A 31 2.204 -0.760 4.111 1.00 0.00 C ATOM 450 CD GLU A 31 3.477 0.031 4.342 1.00 0.00 C ATOM 451 OE1 GLU A 31 4.134 -0.194 5.380 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.816 0.874 3.486 1.00 0.00 O ATOM 0 H GLU A 31 -0.849 -0.933 6.654 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.529 0.157 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.266 0.537 5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.303 -1.147 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.438 -1.825 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.805 -0.519 3.126 1.00 0.00 H new ATOM 459 N GLU A 32 -0.200 -1.913 2.578 1.00 0.00 N ATOM 460 CA GLU A 32 -0.286 -3.100 1.734 1.00 0.00 C ATOM 461 C GLU A 32 0.626 -4.206 2.257 1.00 0.00 C ATOM 462 O GLU A 32 0.156 -5.240 2.732 1.00 0.00 O ATOM 463 CB GLU A 32 0.088 -2.755 0.291 1.00 0.00 C ATOM 464 CG GLU A 32 -0.419 -3.763 -0.726 1.00 0.00 C ATOM 465 CD GLU A 32 -0.115 -3.354 -2.155 1.00 0.00 C ATOM 466 OE1 GLU A 32 0.982 -3.688 -2.648 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.976 -2.699 -2.779 1.00 0.00 O ATOM 0 H GLU A 32 0.028 -1.054 2.077 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.315 -3.459 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.312 -1.771 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.173 -2.686 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.034 -4.734 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.496 -3.883 -0.608 1.00 0.00 H new ATOM 474 N ASP A 33 1.932 -3.982 2.164 1.00 0.00 N ATOM 475 CA ASP A 33 2.911 -4.958 2.627 1.00 0.00 C ATOM 476 C ASP A 33 2.595 -5.411 4.050 1.00 0.00 C ATOM 477 O ASP A 33 2.888 -6.544 4.430 1.00 0.00 O ATOM 478 CB ASP A 33 4.320 -4.367 2.567 1.00 0.00 C ATOM 479 CG ASP A 33 4.928 -4.460 1.182 1.00 0.00 C ATOM 480 OD1 ASP A 33 5.132 -5.593 0.697 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.200 -3.399 0.582 1.00 0.00 O ATOM 0 H ASP A 33 2.337 -3.132 1.772 1.00 0.00 H new ATOM 0 HA ASP A 33 2.862 -5.826 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.286 -3.322 2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.961 -4.889 3.278 1.00 0.00 H new ATOM 486 N ALA A 34 1.999 -4.517 4.831 1.00 0.00 N ATOM 487 CA ALA A 34 1.643 -4.824 6.211 1.00 0.00 C ATOM 488 C ALA A 34 0.516 -5.849 6.272 1.00 0.00 C ATOM 489 O ALA A 34 0.691 -6.949 6.797 1.00 0.00 O ATOM 490 CB ALA A 34 1.245 -3.555 6.949 1.00 0.00 C ATOM 0 H ALA A 34 1.752 -3.574 4.532 1.00 0.00 H new ATOM 0 HA ALA A 34 2.518 -5.255 6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.982 -3.800 7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.080 -2.855 6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.387 -3.100 6.454 1.00 0.00 H new ATOM 496 N ILE A 35 -0.642 -5.481 5.732 1.00 0.00 N ATOM 497 CA ILE A 35 -1.797 -6.370 5.725 1.00 0.00 C ATOM 498 C ILE A 35 -1.519 -7.628 4.910 1.00 0.00 C ATOM 499 O ILE A 35 -2.185 -8.650 5.078 1.00 0.00 O ATOM 500 CB ILE A 35 -3.044 -5.668 5.155 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.291 -6.522 5.392 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.861 -5.388 3.671 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.594 -6.755 6.856 1.00 0.00 C ATOM 0 H ILE A 35 -0.805 -4.574 5.294 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.987 -6.647 6.762 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.175 -4.717 5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.148 -6.037 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.161 -7.485 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.750 -4.892 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.994 -4.744 3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.708 -6.327 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.491 -7.368 6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.754 -7.268 7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.756 -5.797 7.351 1.00 0.00 H new ATOM 515 N VAL A 36 -0.528 -7.547 4.027 1.00 0.00 N ATOM 516 CA VAL A 36 -0.159 -8.681 3.187 1.00 0.00 C ATOM 517 C VAL A 36 0.808 -9.610 3.913 1.00 0.00 C ATOM 518 O VAL A 36 0.714 -10.832 3.796 1.00 0.00 O ATOM 519 CB VAL A 36 0.487 -8.215 1.869 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.051 -9.401 1.102 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.522 -7.453 1.022 1.00 0.00 C ATOM 0 H VAL A 36 0.033 -6.709 3.875 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.078 -9.222 2.962 1.00 0.00 H new ATOM 0 HB VAL A 36 1.311 -7.542 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.503 -9.052 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.807 -9.900 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.248 -10.102 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.049 -7.131 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.367 -8.101 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.873 -6.580 1.572 1.00 0.00 H new ATOM 531 N ARG A 37 1.735 -9.023 4.662 1.00 0.00 N ATOM 532 CA ARG A 37 2.719 -9.799 5.407 1.00 0.00 C ATOM 533 C ARG A 37 2.125 -10.323 6.711 1.00 0.00 C ATOM 534 O ARG A 37 2.581 -11.330 7.252 1.00 0.00 O ATOM 535 CB ARG A 37 3.954 -8.946 5.703 1.00 0.00 C ATOM 536 CG ARG A 37 3.756 -7.965 6.847 1.00 0.00 C ATOM 537 CD ARG A 37 5.012 -7.147 7.103 1.00 0.00 C ATOM 538 NE ARG A 37 6.084 -7.956 7.677 1.00 0.00 N ATOM 539 CZ ARG A 37 7.208 -7.445 8.169 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.404 -6.134 8.158 1.00 0.00 N ATOM 541 NH2 ARG A 37 8.137 -8.247 8.675 1.00 0.00 N ATOM 0 H ARG A 37 1.825 -8.013 4.769 1.00 0.00 H new ATOM 0 HA ARG A 37 3.012 -10.651 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.791 -9.603 5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.227 -8.393 4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.926 -7.297 6.615 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.484 -8.509 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.353 -6.704 6.167 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.777 -6.324 7.778 1.00 0.00 H new ATOM 0 HE ARG A 37 5.963 -8.969 7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.691 -5.515 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.267 -5.744 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.988 -9.256 8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.999 -7.854 9.052 1.00 0.00 H new ATOM 555 N MET A 38 1.105 -9.633 7.210 1.00 0.00 N ATOM 556 CA MET A 38 0.448 -10.029 8.450 1.00 0.00 C ATOM 557 C MET A 38 -0.420 -11.265 8.234 1.00 0.00 C ATOM 558 O MET A 38 -0.261 -12.274 8.922 1.00 0.00 O ATOM 559 CB MET A 38 -0.405 -8.880 8.991 1.00 0.00 C ATOM 560 CG MET A 38 -1.084 -9.198 10.313 1.00 0.00 C ATOM 561 SD MET A 38 -1.076 -7.799 11.451 1.00 0.00 S ATOM 562 CE MET A 38 -2.785 -7.273 11.352 1.00 0.00 C ATOM 0 H MET A 38 0.715 -8.797 6.775 1.00 0.00 H new ATOM 0 HA MET A 38 1.221 -10.272 9.180 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.225 -7.999 9.118 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.166 -8.624 8.253 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.114 -9.502 10.124 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.582 -10.045 10.781 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.852 -6.363 10.756 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.381 -8.057 10.885 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.164 -7.078 12.355 1.00 0.00 H new ATOM 572 N ILE A 39 -1.337 -11.178 7.277 1.00 0.00 N ATOM 573 CA ILE A 39 -2.229 -12.290 6.971 1.00 0.00 C ATOM 574 C ILE A 39 -1.440 -13.550 6.630 1.00 0.00 C ATOM 575 O ILE A 39 -1.728 -14.631 7.142 1.00 0.00 O ATOM 576 CB ILE A 39 -3.168 -11.952 5.798 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.003 -10.713 6.126 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.068 -13.137 5.482 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.686 -10.108 4.919 1.00 0.00 C ATOM 0 H ILE A 39 -1.482 -10.349 6.700 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.827 -12.470 7.864 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.563 -11.736 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.758 -10.979 6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.359 -9.962 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.726 -12.883 4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.456 -13.997 5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.668 -13.382 6.358 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.260 -9.234 5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.935 -9.810 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.356 -10.843 4.473 1.00 0.00 H new ATOM 591 N GLU A 40 -0.443 -13.401 5.763 1.00 0.00 N ATOM 592 CA GLU A 40 0.388 -14.527 5.355 1.00 0.00 C ATOM 593 C GLU A 40 1.151 -15.100 6.546 1.00 0.00 C ATOM 594 O GLU A 40 1.359 -16.310 6.640 1.00 0.00 O ATOM 595 CB GLU A 40 1.372 -14.095 4.265 1.00 0.00 C ATOM 596 CG GLU A 40 0.728 -13.914 2.901 1.00 0.00 C ATOM 597 CD GLU A 40 1.114 -15.008 1.924 1.00 0.00 C ATOM 598 OE1 GLU A 40 0.657 -16.155 2.107 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.874 -14.716 0.976 1.00 0.00 O ATOM 0 H GLU A 40 -0.192 -12.512 5.330 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.266 -15.303 4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.842 -13.158 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.165 -14.839 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.356 -13.899 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.019 -12.947 2.491 1.00 0.00 H new ATOM 606 N SER A 41 1.567 -14.222 7.453 1.00 0.00 N ATOM 607 CA SER A 41 2.310 -14.639 8.636 1.00 0.00 C ATOM 608 C SER A 41 1.381 -15.270 9.668 1.00 0.00 C ATOM 609 O SER A 41 1.812 -16.061 10.507 1.00 0.00 O ATOM 610 CB SER A 41 3.040 -13.444 9.253 1.00 0.00 C ATOM 611 OG SER A 41 3.610 -13.786 10.505 1.00 0.00 O ATOM 0 H SER A 41 1.402 -13.217 7.391 1.00 0.00 H new ATOM 0 HA SER A 41 3.043 -15.385 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.822 -13.102 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.344 -12.615 9.381 1.00 0.00 H new ATOM 0 HG SER A 41 4.072 -13.006 10.878 1.00 0.00 H new ATOM 617 N ARG A 42 0.102 -14.913 9.600 1.00 0.00 N ATOM 618 CA ARG A 42 -0.889 -15.442 10.528 1.00 0.00 C ATOM 619 C ARG A 42 -1.361 -16.826 10.090 1.00 0.00 C ATOM 620 O ARG A 42 -1.288 -17.787 10.856 1.00 0.00 O ATOM 621 CB ARG A 42 -2.084 -14.492 10.627 1.00 0.00 C ATOM 622 CG ARG A 42 -1.745 -13.150 11.254 1.00 0.00 C ATOM 623 CD ARG A 42 -2.104 -13.118 12.731 1.00 0.00 C ATOM 624 NE ARG A 42 -1.308 -12.139 13.467 1.00 0.00 N ATOM 625 CZ ARG A 42 -1.582 -10.840 13.493 1.00 0.00 C ATOM 626 NH1 ARG A 42 -2.627 -10.366 12.828 1.00 0.00 N ATOM 627 NH2 ARG A 42 -0.811 -10.011 14.185 1.00 0.00 N ATOM 0 H ARG A 42 -0.271 -14.260 8.912 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.421 -15.530 11.508 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.488 -14.325 9.629 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.869 -14.969 11.213 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.681 -12.949 11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.280 -12.357 10.731 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.162 -12.882 12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.952 -14.107 13.163 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.497 -12.471 13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.222 -11.000 12.295 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.835 -9.368 12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.006 -10.371 14.698 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.023 -9.013 14.204 1.00 0.00 H new ATOM 641 N GLN A 43 -1.843 -16.918 8.856 1.00 0.00 N ATOM 642 CA GLN A 43 -2.327 -18.183 8.317 1.00 0.00 C ATOM 643 C GLN A 43 -1.286 -19.283 8.492 1.00 0.00 C ATOM 644 O GLN A 43 -1.591 -20.370 8.984 1.00 0.00 O ATOM 645 CB GLN A 43 -2.680 -18.030 6.837 1.00 0.00 C ATOM 646 CG GLN A 43 -4.159 -18.222 6.541 1.00 0.00 C ATOM 647 CD GLN A 43 -4.453 -19.548 5.869 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.142 -20.612 6.406 1.00 0.00 O ATOM 649 NE2 GLN A 43 -5.056 -19.493 4.687 1.00 0.00 N ATOM 0 H GLN A 43 -1.909 -16.131 8.210 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.223 -18.465 8.870 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.376 -17.039 6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.105 -18.753 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.723 -18.158 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.506 -17.410 5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.296 -18.590 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.279 -20.354 4.188 1.00 0.00 H new ATOM 658 N LYS A 44 -0.053 -18.994 8.087 1.00 0.00 N ATOM 659 CA LYS A 44 1.035 -19.958 8.200 1.00 0.00 C ATOM 660 C LYS A 44 1.204 -20.422 9.643 1.00 0.00 C ATOM 661 O LYS A 44 1.713 -21.513 9.899 1.00 0.00 O ATOM 662 CB LYS A 44 2.342 -19.343 7.694 1.00 0.00 C ATOM 663 CG LYS A 44 2.946 -18.328 8.649 1.00 0.00 C ATOM 664 CD LYS A 44 4.117 -18.914 9.419 1.00 0.00 C ATOM 665 CE LYS A 44 5.340 -19.083 8.531 1.00 0.00 C ATOM 666 NZ LYS A 44 6.416 -18.114 8.879 1.00 0.00 N ATOM 0 H LYS A 44 0.217 -18.100 7.678 1.00 0.00 H new ATOM 0 HA LYS A 44 0.786 -20.824 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.065 -20.140 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.159 -18.862 6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.279 -17.454 8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.183 -17.987 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.363 -18.264 10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.833 -19.880 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.721 -20.099 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.053 -18.948 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.232 -18.261 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.060 -17.144 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.708 -18.259 9.867 1.00 0.00 H new ATOM 680 N ARG A 45 0.773 -19.586 10.583 1.00 0.00 N ATOM 681 CA ARG A 45 0.877 -19.912 12.000 1.00 0.00 C ATOM 682 C ARG A 45 -0.485 -20.299 12.570 1.00 0.00 C ATOM 683 O ARG A 45 -0.728 -20.169 13.770 1.00 0.00 O ATOM 684 CB ARG A 45 1.447 -18.724 12.777 1.00 0.00 C ATOM 685 CG ARG A 45 2.938 -18.518 12.567 1.00 0.00 C ATOM 686 CD ARG A 45 3.700 -18.580 13.882 1.00 0.00 C ATOM 687 NE ARG A 45 3.671 -19.917 14.469 1.00 0.00 N ATOM 688 CZ ARG A 45 4.458 -20.298 15.470 1.00 0.00 C ATOM 689 NH1 ARG A 45 5.330 -19.447 15.992 1.00 0.00 N ATOM 690 NH2 ARG A 45 4.373 -21.532 15.950 1.00 0.00 N ATOM 0 H ARG A 45 0.349 -18.679 10.389 1.00 0.00 H new ATOM 0 HA ARG A 45 1.550 -20.763 12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.918 -17.819 12.479 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.255 -18.870 13.840 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.320 -19.280 11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.110 -17.553 12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.734 -18.279 13.716 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.269 -17.866 14.584 1.00 0.00 H new ATOM 0 HE ARG A 45 3.011 -20.596 14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.398 -18.498 15.626 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.933 -19.742 16.760 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.703 -22.189 15.551 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.978 -21.823 16.718 1.00 0.00 H new ATOM 704 N LYS A 46 -1.370 -20.776 11.701 1.00 0.00 N ATOM 705 CA LYS A 46 -2.707 -21.183 12.116 1.00 0.00 C ATOM 706 C LYS A 46 -3.391 -20.076 12.912 1.00 0.00 C ATOM 707 O LYS A 46 -4.006 -20.331 13.947 1.00 0.00 O ATOM 708 CB LYS A 46 -2.636 -22.461 12.956 1.00 0.00 C ATOM 709 CG LYS A 46 -2.326 -23.706 12.144 1.00 0.00 C ATOM 710 CD LYS A 46 -0.928 -24.227 12.432 1.00 0.00 C ATOM 711 CE LYS A 46 -0.836 -25.729 12.212 1.00 0.00 C ATOM 712 NZ LYS A 46 -0.349 -26.439 13.426 1.00 0.00 N ATOM 0 H LYS A 46 -1.185 -20.890 10.704 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.295 -21.377 11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.872 -22.339 13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.587 -22.601 13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.058 -24.481 12.371 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.420 -23.481 11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.210 -23.719 11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.656 -23.992 13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.816 -26.116 11.934 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.164 -25.933 11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.300 -27.460 13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.597 -26.088 13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.003 -26.265 14.216 1.00 0.00 H new ATOM 726 N LYS A 47 -3.280 -18.847 12.421 1.00 0.00 N ATOM 727 CA LYS A 47 -3.890 -17.700 13.085 1.00 0.00 C ATOM 728 C LYS A 47 -4.870 -16.991 12.155 1.00 0.00 C ATOM 729 O LYS A 47 -5.089 -17.421 11.022 1.00 0.00 O ATOM 730 CB LYS A 47 -2.810 -16.720 13.549 1.00 0.00 C ATOM 731 CG LYS A 47 -2.598 -16.716 15.053 1.00 0.00 C ATOM 732 CD LYS A 47 -1.748 -15.536 15.493 1.00 0.00 C ATOM 733 CE LYS A 47 -0.304 -15.689 15.041 1.00 0.00 C ATOM 734 NZ LYS A 47 0.615 -15.920 16.189 1.00 0.00 N ATOM 0 H LYS A 47 -2.773 -18.619 11.566 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.439 -18.064 13.953 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.869 -16.970 13.059 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.080 -15.715 13.226 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.564 -16.678 15.557 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.116 -17.646 15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.163 -14.615 15.083 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.783 -15.446 16.579 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.229 -16.522 14.342 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.005 -14.793 14.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.589 -16.019 15.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.562 -15.113 16.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.336 -16.789 16.687 1.00 0.00 H new ATOM 748 N LYS A 48 -5.456 -15.902 12.640 1.00 0.00 N ATOM 749 CA LYS A 48 -6.411 -15.131 11.853 1.00 0.00 C ATOM 750 C LYS A 48 -6.066 -13.646 11.882 1.00 0.00 C ATOM 751 O LYS A 48 -5.504 -13.148 12.857 1.00 0.00 O ATOM 752 CB LYS A 48 -7.831 -15.346 12.381 1.00 0.00 C ATOM 753 CG LYS A 48 -8.116 -14.608 13.677 1.00 0.00 C ATOM 754 CD LYS A 48 -8.875 -15.482 14.662 1.00 0.00 C ATOM 755 CE LYS A 48 -7.959 -16.500 15.324 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.728 -17.581 16.000 1.00 0.00 N ATOM 0 H LYS A 48 -5.286 -15.533 13.576 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.358 -15.479 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.544 -15.021 11.623 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.994 -16.412 12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.177 -14.283 14.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.695 -13.709 13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.337 -14.856 15.425 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.682 -16.000 14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.300 -16.938 14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.323 -15.997 16.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.068 -18.254 16.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.338 -17.167 16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.316 -18.078 15.301 1.00 0.00 H new ATOM 770 N ALA A 49 -6.407 -12.942 10.807 1.00 0.00 N ATOM 771 CA ALA A 49 -6.137 -11.513 10.711 1.00 0.00 C ATOM 772 C ALA A 49 -7.186 -10.704 11.467 1.00 0.00 C ATOM 773 O ALA A 49 -8.384 -10.834 11.215 1.00 0.00 O ATOM 774 CB ALA A 49 -6.085 -11.082 9.253 1.00 0.00 C ATOM 0 H ALA A 49 -6.871 -13.339 9.990 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.167 -11.320 11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.883 -10.012 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.294 -11.629 8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.042 -11.296 8.776 1.00 0.00 H new ATOM 780 N TYR A 50 -6.728 -9.871 12.394 1.00 0.00 N ATOM 781 CA TYR A 50 -7.627 -9.043 13.189 1.00 0.00 C ATOM 782 C TYR A 50 -7.205 -7.578 13.140 1.00 0.00 C ATOM 783 O TYR A 50 -6.045 -7.262 12.874 1.00 0.00 O ATOM 784 CB TYR A 50 -7.655 -9.529 14.639 1.00 0.00 C ATOM 785 CG TYR A 50 -6.285 -9.834 15.201 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.534 -8.847 15.827 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.742 -11.110 15.107 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.281 -9.121 16.342 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.491 -11.393 15.620 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.764 -10.395 16.236 1.00 0.00 C ATOM 791 OH TYR A 50 -2.517 -10.672 16.749 1.00 0.00 O ATOM 0 H TYR A 50 -5.739 -9.751 12.614 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.628 -9.129 12.765 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.132 -8.770 15.259 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.272 -10.425 14.701 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.936 -7.848 15.913 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.308 -11.893 14.625 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.710 -8.342 16.825 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.084 -12.390 15.539 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.301 -11.615 16.593 1.00 0.00 H new ATOM 801 N CYS A 51 -8.155 -6.686 13.400 1.00 0.00 N ATOM 802 CA CYS A 51 -7.885 -5.253 13.387 1.00 0.00 C ATOM 803 C CYS A 51 -6.671 -4.921 14.250 1.00 0.00 C ATOM 804 O CYS A 51 -6.739 -4.898 15.479 1.00 0.00 O ATOM 805 CB CYS A 51 -9.106 -4.478 13.885 1.00 0.00 C ATOM 806 SG CYS A 51 -10.104 -3.730 12.558 1.00 0.00 S ATOM 0 H CYS A 51 -9.120 -6.931 13.623 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.671 -4.958 12.360 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.738 -5.150 14.465 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.772 -3.691 14.562 1.00 0.00 H new ATOM 811 N PRO A 52 -5.532 -4.657 13.592 1.00 0.00 N ATOM 812 CA PRO A 52 -4.281 -4.320 14.279 1.00 0.00 C ATOM 813 C PRO A 52 -4.333 -2.947 14.939 1.00 0.00 C ATOM 814 O PRO A 52 -3.488 -2.615 15.769 1.00 0.00 O ATOM 815 CB PRO A 52 -3.244 -4.334 13.153 1.00 0.00 C ATOM 816 CG PRO A 52 -4.024 -4.048 11.916 1.00 0.00 C ATOM 817 CD PRO A 52 -5.378 -4.666 12.128 1.00 0.00 C ATOM 0 HA PRO A 52 -4.061 -5.015 15.089 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.472 -3.582 13.317 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.741 -5.299 13.090 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.107 -2.974 11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.534 -4.472 11.039 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.163 -4.091 11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.425 -5.678 11.725 1.00 0.00 H new ATOM 825 N GLN A 53 -5.331 -2.153 14.563 1.00 0.00 N ATOM 826 CA GLN A 53 -5.492 -0.815 15.119 1.00 0.00 C ATOM 827 C GLN A 53 -5.786 -0.878 16.615 1.00 0.00 C ATOM 828 O GLN A 53 -6.905 -1.189 17.024 1.00 0.00 O ATOM 829 CB GLN A 53 -6.618 -0.071 14.397 1.00 0.00 C ATOM 830 CG GLN A 53 -6.450 1.439 14.402 1.00 0.00 C ATOM 831 CD GLN A 53 -5.788 1.957 13.141 1.00 0.00 C ATOM 832 OE1 GLN A 53 -6.303 1.778 12.037 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.639 2.604 13.298 1.00 0.00 N ATOM 0 H GLN A 53 -6.039 -2.413 13.877 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.557 -0.274 14.973 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.669 -0.419 13.365 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.569 -0.324 14.866 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.427 1.909 14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.854 1.732 15.267 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.248 2.730 14.232 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.148 2.975 12.485 1.00 0.00 H new ATOM 842 N ILE A 54 -4.775 -0.582 17.424 1.00 0.00 N ATOM 843 CA ILE A 54 -4.927 -0.606 18.874 1.00 0.00 C ATOM 844 C ILE A 54 -6.131 0.219 19.314 1.00 0.00 C ATOM 845 O ILE A 54 -6.078 1.448 19.344 1.00 0.00 O ATOM 846 CB ILE A 54 -3.667 -0.071 19.580 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.443 -0.902 19.186 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.859 -0.084 21.089 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.128 -0.213 19.473 1.00 0.00 C ATOM 0 H ILE A 54 -3.843 -0.323 17.101 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.079 -1.647 19.159 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.501 0.959 19.263 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.471 -1.851 19.721 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.498 -1.134 18.122 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.960 0.297 21.573 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.708 0.546 21.353 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.047 -1.104 21.423 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.305 -0.859 19.169 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.079 0.723 18.917 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.051 -0.006 20.540 1.00 0.00 H new ATOM 861 N GLY A 55 -7.217 -0.467 19.659 1.00 0.00 N ATOM 862 CA GLY A 55 -8.420 0.218 20.095 1.00 0.00 C ATOM 863 C GLY A 55 -9.678 -0.389 19.508 1.00 0.00 C ATOM 864 O GLY A 55 -10.777 -0.179 20.023 1.00 0.00 O ATOM 0 H GLY A 55 -7.285 -1.485 19.644 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.478 0.186 21.183 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.360 1.268 19.810 1.00 0.00 H new ATOM 868 N CYS A 56 -9.520 -1.143 18.425 1.00 0.00 N ATOM 869 CA CYS A 56 -10.653 -1.781 17.765 1.00 0.00 C ATOM 870 C CYS A 56 -10.983 -3.117 18.423 1.00 0.00 C ATOM 871 O CYS A 56 -10.114 -3.767 19.004 1.00 0.00 O ATOM 872 CB CYS A 56 -10.352 -1.991 16.280 1.00 0.00 C ATOM 873 SG CYS A 56 -11.817 -1.893 15.203 1.00 0.00 S ATOM 0 H CYS A 56 -8.618 -1.327 17.986 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.517 -1.124 17.864 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.627 -1.243 15.958 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.883 -2.966 16.150 1.00 0.00 H new ATOM 878 N SER A 57 -12.246 -3.522 18.327 1.00 0.00 N ATOM 879 CA SER A 57 -12.693 -4.779 18.915 1.00 0.00 C ATOM 880 C SER A 57 -12.827 -5.861 17.848 1.00 0.00 C ATOM 881 O SER A 57 -12.763 -7.054 18.145 1.00 0.00 O ATOM 882 CB SER A 57 -14.031 -4.584 19.631 1.00 0.00 C ATOM 883 OG SER A 57 -14.084 -5.342 20.828 1.00 0.00 O ATOM 0 H SER A 57 -12.978 -2.997 17.847 1.00 0.00 H new ATOM 0 HA SER A 57 -11.944 -5.099 19.640 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.175 -3.528 19.859 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.847 -4.882 18.972 1.00 0.00 H new ATOM 0 HG SER A 57 -14.948 -5.199 21.268 1.00 0.00 H new ATOM 889 N HIS A 58 -13.014 -5.435 16.603 1.00 0.00 N ATOM 890 CA HIS A 58 -13.158 -6.366 15.489 1.00 0.00 C ATOM 891 C HIS A 58 -11.952 -7.297 15.401 1.00 0.00 C ATOM 892 O HIS A 58 -10.850 -6.945 15.822 1.00 0.00 O ATOM 893 CB HIS A 58 -13.324 -5.602 14.175 1.00 0.00 C ATOM 894 CG HIS A 58 -13.869 -6.440 13.060 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.095 -7.069 13.122 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.350 -6.749 11.849 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.305 -7.730 11.997 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.261 -7.552 11.208 1.00 0.00 N ATOM 0 H HIS A 58 -13.069 -4.451 16.340 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.049 -6.969 15.664 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.988 -4.754 14.339 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.358 -5.197 13.875 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.739 -7.030 13.912 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.397 -6.424 11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.181 -8.316 11.763 1.00 0.00 H new ATOM 906 N THR A 59 -12.169 -8.488 14.852 1.00 0.00 N ATOM 907 CA THR A 59 -11.102 -9.471 14.711 1.00 0.00 C ATOM 908 C THR A 59 -11.363 -10.400 13.531 1.00 0.00 C ATOM 909 O THR A 59 -11.088 -11.599 13.601 1.00 0.00 O ATOM 910 CB THR A 59 -10.942 -10.314 15.990 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.216 -10.814 16.409 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.321 -9.490 17.107 1.00 0.00 C ATOM 0 H THR A 59 -13.075 -8.795 14.498 1.00 0.00 H new ATOM 0 HA THR A 59 -10.181 -8.915 14.535 1.00 0.00 H new ATOM 0 HB THR A 59 -10.280 -11.151 15.767 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.106 -11.350 17.222 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.218 -10.107 18.000 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.338 -9.136 16.795 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.961 -8.636 17.328 1.00 0.00 H new ATOM 920 N ASP A 60 -11.893 -9.841 12.449 1.00 0.00 N ATOM 921 CA ASP A 60 -12.190 -10.621 11.253 1.00 0.00 C ATOM 922 C ASP A 60 -11.798 -9.854 9.994 1.00 0.00 C ATOM 923 O ASP A 60 -12.535 -8.981 9.533 1.00 0.00 O ATOM 924 CB ASP A 60 -13.676 -10.978 11.207 1.00 0.00 C ATOM 925 CG ASP A 60 -13.963 -12.343 11.800 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.355 -12.679 12.838 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.795 -13.076 11.226 1.00 0.00 O ATOM 0 H ASP A 60 -12.126 -8.851 12.375 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.606 -11.540 11.293 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.245 -10.223 11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.020 -10.955 10.173 1.00 0.00 H new ATOM 932 N ILE A 61 -10.635 -10.185 9.443 1.00 0.00 N ATOM 933 CA ILE A 61 -10.147 -9.528 8.238 1.00 0.00 C ATOM 934 C ILE A 61 -9.791 -10.547 7.161 1.00 0.00 C ATOM 935 O ILE A 61 -9.117 -11.541 7.432 1.00 0.00 O ATOM 936 CB ILE A 61 -8.911 -8.657 8.533 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.216 -7.665 9.657 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.469 -7.922 7.276 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.003 -6.894 10.128 1.00 0.00 C ATOM 0 H ILE A 61 -10.013 -10.904 9.812 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.954 -8.890 7.878 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.097 -9.305 8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.973 -6.960 9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.643 -8.205 10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.595 -7.311 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.217 -8.646 6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.279 -7.282 6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.294 -6.210 10.925 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.252 -7.590 10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.587 -6.326 9.296 1.00 0.00 H new ATOM 951 N ARG A 62 -10.247 -10.293 5.939 1.00 0.00 N ATOM 952 CA ARG A 62 -9.976 -11.188 4.821 1.00 0.00 C ATOM 953 C ARG A 62 -9.296 -10.440 3.678 1.00 0.00 C ATOM 954 O ARG A 62 -9.605 -9.278 3.410 1.00 0.00 O ATOM 955 CB ARG A 62 -11.274 -11.826 4.325 1.00 0.00 C ATOM 956 CG ARG A 62 -12.078 -12.503 5.423 1.00 0.00 C ATOM 957 CD ARG A 62 -12.898 -13.663 4.879 1.00 0.00 C ATOM 958 NE ARG A 62 -13.343 -14.563 5.939 1.00 0.00 N ATOM 959 CZ ARG A 62 -14.008 -15.691 5.715 1.00 0.00 C ATOM 960 NH1 ARG A 62 -14.302 -16.055 4.475 1.00 0.00 N ATOM 961 NH2 ARG A 62 -14.379 -16.458 6.733 1.00 0.00 N ATOM 0 H ARG A 62 -10.806 -9.475 5.698 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.304 -11.972 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.890 -11.059 3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.037 -12.560 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.403 -12.865 6.199 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.741 -11.775 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.765 -13.275 4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.302 -14.221 4.156 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.132 -14.312 6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.018 -15.469 3.690 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.813 -16.922 4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.154 -16.181 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.890 -17.324 6.560 1.00 0.00 H new ATOM 975 N LYS A 63 -8.367 -11.113 3.007 1.00 0.00 N ATOM 976 CA LYS A 63 -7.643 -10.514 1.892 1.00 0.00 C ATOM 977 C LYS A 63 -8.608 -10.013 0.822 1.00 0.00 C ATOM 978 O LYS A 63 -8.318 -9.049 0.113 1.00 0.00 O ATOM 979 CB LYS A 63 -6.672 -11.529 1.283 1.00 0.00 C ATOM 980 CG LYS A 63 -5.416 -10.899 0.707 1.00 0.00 C ATOM 981 CD LYS A 63 -4.684 -11.859 -0.216 1.00 0.00 C ATOM 982 CE LYS A 63 -3.766 -12.789 0.563 1.00 0.00 C ATOM 983 NZ LYS A 63 -4.222 -14.205 0.492 1.00 0.00 N ATOM 0 H LYS A 63 -8.098 -12.074 3.216 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.078 -9.663 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.388 -12.252 2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.184 -12.083 0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.680 -9.995 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.754 -10.597 1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.408 -12.448 -0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.100 -11.293 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.753 -12.713 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.727 -12.472 1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.571 -14.807 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.179 -14.282 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.235 -14.516 -0.500 1.00 0.00 H new ATOM 997 N SER A 64 -9.757 -10.672 0.713 1.00 0.00 N ATOM 998 CA SER A 64 -10.764 -10.295 -0.272 1.00 0.00 C ATOM 999 C SER A 64 -11.460 -8.999 0.131 1.00 0.00 C ATOM 1000 O SER A 64 -12.031 -8.301 -0.707 1.00 0.00 O ATOM 1001 CB SER A 64 -11.796 -11.413 -0.432 1.00 0.00 C ATOM 1002 OG SER A 64 -11.996 -11.732 -1.798 1.00 0.00 O ATOM 0 H SER A 64 -10.014 -11.470 1.295 1.00 0.00 H new ATOM 0 HA SER A 64 -10.261 -10.136 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.462 -12.300 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.742 -11.106 0.015 1.00 0.00 H new ATOM 0 HG SER A 64 -12.659 -12.450 -1.873 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.406 -8.683 1.421 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.030 -7.470 1.937 1.00 0.00 C ATOM 1010 C ASP A 65 -11.015 -6.335 2.032 1.00 0.00 C ATOM 1011 O ASP A 65 -11.169 -5.416 2.837 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.647 -7.735 3.311 1.00 0.00 C ATOM 1013 CG ASP A 65 -13.853 -8.652 3.238 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -14.302 -8.952 2.112 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.346 -9.069 4.306 1.00 0.00 O ATOM 0 H ASP A 65 -10.937 -9.250 2.128 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.817 -7.172 1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.896 -8.179 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.942 -6.788 3.763 1.00 0.00 H new ATOM 1020 N LEU A 66 -9.978 -6.406 1.205 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.937 -5.384 1.195 1.00 0.00 C ATOM 1022 C LEU A 66 -8.961 -4.594 -0.110 1.00 0.00 C ATOM 1023 O LEU A 66 -8.864 -5.167 -1.195 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.562 -6.027 1.389 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.346 -6.761 2.714 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.949 -7.360 2.770 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.571 -5.819 3.888 1.00 0.00 C ATOM 0 H LEU A 66 -9.835 -7.160 0.533 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.130 -4.696 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.394 -6.732 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.803 -5.250 1.299 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.071 -7.573 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.813 -7.878 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.823 -8.067 1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.208 -6.565 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.413 -6.358 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.870 -4.987 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.591 -5.437 3.858 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.088 -3.277 0.005 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.121 -2.408 -1.165 1.00 0.00 C ATOM 1041 C ILE A 67 -8.245 -1.177 -0.960 1.00 0.00 C ATOM 1042 O ILE A 67 -7.910 -0.823 0.169 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.557 -1.955 -1.489 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.251 -1.442 -0.225 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.347 -3.099 -2.107 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.668 -0.970 -0.463 1.00 0.00 C ATOM 0 H ILE A 67 -9.170 -2.788 0.896 1.00 0.00 H new ATOM 0 HA ILE A 67 -8.735 -2.990 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.511 -1.140 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.262 -2.236 0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.668 -0.621 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.360 -2.763 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.860 -3.422 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.388 -3.933 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -13.098 -0.621 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.663 -0.154 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.266 -1.795 -0.851 1.00 0.00 H new ATOM 1058 N GLN A 68 -7.880 -0.528 -2.061 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.044 0.665 -2.003 1.00 0.00 C ATOM 1060 C GLN A 68 -7.886 1.907 -1.731 1.00 0.00 C ATOM 1061 O GLN A 68 -8.948 2.091 -2.326 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.269 0.835 -3.310 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.456 -0.389 -3.699 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.448 -0.096 -4.793 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -4.781 -0.101 -5.979 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.205 0.161 -4.401 1.00 0.00 N ATOM 0 H GLN A 68 -8.150 -0.808 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.336 0.542 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.971 1.064 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.600 1.691 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.933 -0.768 -2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.130 -1.177 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.972 0.155 -3.408 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.484 0.364 -5.093 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.405 2.756 -0.830 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.113 3.982 -0.480 1.00 0.00 C ATOM 1077 C ASP A 69 -7.499 5.186 -1.189 1.00 0.00 C ATOM 1078 O ASP A 69 -6.491 5.733 -0.742 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.086 4.198 1.034 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.231 5.066 1.516 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -10.240 5.174 0.789 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.118 5.640 2.620 1.00 0.00 O ATOM 0 H ASP A 69 -6.528 2.618 -0.329 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.148 3.880 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.130 3.232 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.140 4.661 1.315 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.113 5.591 -2.296 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.625 6.728 -3.067 1.00 0.00 C ATOM 1089 C GLU A 70 -7.643 8.003 -2.228 1.00 0.00 C ATOM 1090 O GLU A 70 -6.680 8.768 -2.222 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.473 6.921 -4.326 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.654 7.023 -5.602 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.398 6.498 -6.815 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.395 5.268 -7.027 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.982 7.319 -7.552 1.00 0.00 O ATOM 0 H GLU A 70 -8.949 5.149 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.596 6.521 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.169 6.087 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.072 7.825 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.379 8.064 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.726 6.465 -5.480 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.747 8.222 -1.520 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.891 9.402 -0.676 1.00 0.00 C ATOM 1104 C ALA A 71 -7.700 9.553 0.265 1.00 0.00 C ATOM 1105 O ALA A 71 -7.328 10.666 0.638 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.187 9.328 0.117 1.00 0.00 C ATOM 0 H ALA A 71 -9.554 7.598 -1.514 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.923 10.279 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.282 10.215 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.032 9.277 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.178 8.439 0.747 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.107 8.427 0.645 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.958 8.434 1.544 1.00 0.00 C ATOM 1114 C LEU A 72 -4.651 8.447 0.757 1.00 0.00 C ATOM 1115 O LEU A 72 -3.687 9.106 1.147 1.00 0.00 O ATOM 1116 CB LEU A 72 -5.999 7.213 2.465 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.449 7.419 3.877 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.083 6.433 4.846 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -3.934 7.279 3.885 1.00 0.00 C ATOM 0 H LEU A 72 -7.402 7.498 0.345 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.006 9.340 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.033 6.878 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.438 6.407 1.992 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.702 8.428 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.679 6.595 5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.163 6.582 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.862 5.415 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.560 7.429 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.659 6.282 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.496 8.026 3.223 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.627 7.717 -0.353 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.440 7.646 -1.196 1.00 0.00 C ATOM 1133 C ARG A 73 -3.009 9.039 -1.646 1.00 0.00 C ATOM 1134 O ARG A 73 -1.820 9.361 -1.652 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.706 6.763 -2.416 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.886 5.484 -2.433 1.00 0.00 C ATOM 1137 CD ARG A 73 -3.119 4.689 -3.708 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.611 5.385 -4.887 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.013 5.122 -6.126 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -3.924 4.183 -6.346 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -2.504 5.798 -7.148 1.00 0.00 N ATOM 0 H ARG A 73 -5.417 7.166 -0.690 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.634 7.207 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.765 6.506 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.493 7.333 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.827 5.728 -2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.146 4.872 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.633 3.717 -3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.186 4.502 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.909 6.113 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.318 3.661 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.231 3.983 -7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.803 6.521 -6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.813 5.595 -8.098 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.983 9.861 -2.024 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.704 11.218 -2.479 1.00 0.00 C ATOM 1157 C ARG A 74 -3.259 12.100 -1.316 1.00 0.00 C ATOM 1158 O ARG A 74 -2.428 12.991 -1.482 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.943 11.820 -3.145 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.180 11.315 -4.558 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.662 11.279 -4.896 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.894 11.093 -6.326 1.00 0.00 N ATOM 1163 CZ ARG A 74 -8.095 11.159 -6.890 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -9.166 11.405 -6.150 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -8.225 10.977 -8.198 1.00 0.00 N ATOM 0 H ARG A 74 -4.972 9.611 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.895 11.171 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.818 11.594 -2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.842 12.905 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.660 11.958 -5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.757 10.316 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.140 10.470 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.130 12.208 -4.571 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.090 10.902 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.070 11.544 -5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.087 11.455 -6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.403 10.786 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.147 11.028 -8.631 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.820 11.844 -0.138 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.480 12.614 1.053 1.00 0.00 C ATOM 1181 C ALA A 75 -1.985 12.545 1.343 1.00 0.00 C ATOM 1182 O ALA A 75 -1.333 13.571 1.536 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.276 12.113 2.249 1.00 0.00 C ATOM 0 H ALA A 75 -4.511 11.110 0.017 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.739 13.657 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.013 12.696 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.342 12.221 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.044 11.063 2.426 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.448 11.329 1.374 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.030 11.128 1.640 1.00 0.00 C ATOM 1191 C ILE A 76 0.831 11.853 0.611 1.00 0.00 C ATOM 1192 O ILE A 76 1.876 12.411 0.945 1.00 0.00 O ATOM 1193 CB ILE A 76 0.337 9.632 1.637 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.533 8.869 2.638 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.812 9.447 1.960 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.444 7.366 2.494 1.00 0.00 C ATOM 0 H ILE A 76 -1.974 10.469 1.218 1.00 0.00 H new ATOM 0 HA ILE A 76 0.167 11.540 2.630 1.00 0.00 H new ATOM 0 HB ILE A 76 0.150 9.230 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.237 9.147 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.571 9.177 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.055 8.385 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.416 9.962 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.024 9.862 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.086 6.891 3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.768 7.076 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.586 7.046 2.648 1.00 0.00 H new ATOM 1208 N GLU A 77 0.384 11.841 -0.640 1.00 0.00 N ATOM 1209 CA GLU A 77 1.114 12.499 -1.718 1.00 0.00 C ATOM 1210 C GLU A 77 1.121 14.013 -1.525 1.00 0.00 C ATOM 1211 O GLU A 77 2.069 14.694 -1.913 1.00 0.00 O ATOM 1212 CB GLU A 77 0.494 12.149 -3.072 1.00 0.00 C ATOM 1213 CG GLU A 77 1.151 10.961 -3.753 1.00 0.00 C ATOM 1214 CD GLU A 77 0.284 10.362 -4.844 1.00 0.00 C ATOM 1215 OE1 GLU A 77 -0.727 10.996 -5.213 1.00 0.00 O ATOM 1216 OE2 GLU A 77 0.617 9.260 -5.329 1.00 0.00 O ATOM 0 H GLU A 77 -0.479 11.383 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 77 2.144 12.142 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.566 11.937 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.562 13.017 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.103 11.273 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.372 10.196 -3.008 1.00 0.00 H new ATOM 1223 N ASN A 78 0.056 14.532 -0.923 1.00 0.00 N ATOM 1224 CA ASN A 78 -0.063 15.965 -0.679 1.00 0.00 C ATOM 1225 C ASN A 78 1.001 16.438 0.307 1.00 0.00 C ATOM 1226 O ASN A 78 1.401 17.603 0.293 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.456 16.299 -0.144 1.00 0.00 C ATOM 1228 CG ASN A 78 -2.111 17.436 -0.905 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -1.827 18.608 -0.657 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -2.993 17.093 -1.837 1.00 0.00 N ATOM 0 H ASN A 78 -0.737 13.981 -0.595 1.00 0.00 H new ATOM 0 HA ASN A 78 0.088 16.484 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.088 15.413 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.383 16.566 0.910 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.466 17.814 -2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.197 16.108 -2.008 1.00 0.00 H new ATOM 1237 N HIS A 79 1.455 15.527 1.162 1.00 0.00 N ATOM 1238 CA HIS A 79 2.473 15.851 2.155 1.00 0.00 C ATOM 1239 C HIS A 79 3.872 15.597 1.601 1.00 0.00 C ATOM 1240 O HIS A 79 4.825 16.287 1.958 1.00 0.00 O ATOM 1241 CB HIS A 79 2.257 15.027 3.425 1.00 0.00 C ATOM 1242 CG HIS A 79 3.314 15.240 4.464 1.00 0.00 C ATOM 1243 ND1 HIS A 79 3.857 16.477 4.743 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.928 14.365 5.295 1.00 0.00 C ATOM 1245 CE1 HIS A 79 4.760 16.353 5.699 1.00 0.00 C ATOM 1246 NE2 HIS A 79 4.822 15.082 6.052 1.00 0.00 N ATOM 0 H HIS A 79 1.134 14.559 1.187 1.00 0.00 H new ATOM 0 HA HIS A 79 2.384 16.910 2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.285 15.278 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.226 13.970 3.161 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.748 13.302 5.352 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.348 17.155 6.120 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.434 14.695 6.770 1.00 0.00 H new ATOM 1254 N ASN A 80 3.986 14.601 0.729 1.00 0.00 N ATOM 1255 CA ASN A 80 5.269 14.255 0.127 1.00 0.00 C ATOM 1256 C ASN A 80 5.646 15.255 -0.962 1.00 0.00 C ATOM 1257 O ASN A 80 6.806 15.647 -1.086 1.00 0.00 O ATOM 1258 CB ASN A 80 5.217 12.842 -0.458 1.00 0.00 C ATOM 1259 CG ASN A 80 4.780 11.810 0.564 1.00 0.00 C ATOM 1260 OD1 ASN A 80 3.940 10.956 0.279 1.00 0.00 O ATOM 1261 ND2 ASN A 80 5.351 11.884 1.761 1.00 0.00 N ATOM 0 H ASN A 80 3.206 14.019 0.423 1.00 0.00 H new ATOM 0 HA ASN A 80 6.030 14.290 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.529 12.827 -1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.201 12.574 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.098 11.216 2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.043 12.609 1.952 1.00 0.00 H new ATOM 1268 N LYS A 81 4.657 15.664 -1.750 1.00 0.00 N ATOM 1269 CA LYS A 81 4.883 16.619 -2.828 1.00 0.00 C ATOM 1270 C LYS A 81 5.429 17.935 -2.284 1.00 0.00 C ATOM 1271 O LYS A 81 6.221 18.610 -2.942 1.00 0.00 O ATOM 1272 CB LYS A 81 3.582 16.873 -3.593 1.00 0.00 C ATOM 1273 CG LYS A 81 2.542 17.635 -2.789 1.00 0.00 C ATOM 1274 CD LYS A 81 2.592 19.125 -3.083 1.00 0.00 C ATOM 1275 CE LYS A 81 1.402 19.568 -3.921 1.00 0.00 C ATOM 1276 NZ LYS A 81 1.682 20.831 -4.657 1.00 0.00 N ATOM 0 H LYS A 81 3.691 15.349 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 81 5.621 16.193 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.808 17.432 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.160 15.917 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.549 17.251 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.709 17.467 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.606 19.682 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.517 19.362 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.146 18.782 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.535 19.708 -3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.847 21.099 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.902 21.587 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.493 20.690 -5.292 1.00 0.00 H new ATOM 1290 N LYS A 82 5.003 18.294 -1.077 1.00 0.00 N ATOM 1291 CA LYS A 82 5.451 19.527 -0.442 1.00 0.00 C ATOM 1292 C LYS A 82 6.974 19.587 -0.384 1.00 0.00 C ATOM 1293 O LYS A 82 7.562 20.669 -0.376 1.00 0.00 O ATOM 1294 CB LYS A 82 4.872 19.638 0.970 1.00 0.00 C ATOM 1295 CG LYS A 82 3.578 20.431 1.036 1.00 0.00 C ATOM 1296 CD LYS A 82 2.988 20.419 2.436 1.00 0.00 C ATOM 1297 CE LYS A 82 2.932 21.818 3.029 1.00 0.00 C ATOM 1298 NZ LYS A 82 1.812 21.966 3.999 1.00 0.00 N ATOM 0 H LYS A 82 4.347 17.747 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 82 5.094 20.365 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.695 18.636 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.610 20.108 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.764 21.460 0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.858 20.013 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.984 19.995 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.587 19.774 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.876 22.039 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.817 22.548 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.809 22.934 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.909 21.780 3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.935 21.288 4.778 1.00 0.00 H new ATOM 1312 N ARG A 83 7.607 18.419 -0.346 1.00 0.00 N ATOM 1313 CA ARG A 83 9.061 18.339 -0.290 1.00 0.00 C ATOM 1314 C ARG A 83 9.581 18.831 1.058 1.00 0.00 C ATOM 1315 O ARG A 83 9.979 18.035 1.910 1.00 0.00 O ATOM 1316 CB ARG A 83 9.683 19.163 -1.419 1.00 0.00 C ATOM 1317 CG ARG A 83 10.445 18.327 -2.434 1.00 0.00 C ATOM 1318 CD ARG A 83 11.031 19.192 -3.540 1.00 0.00 C ATOM 1319 NE ARG A 83 11.820 18.409 -4.486 1.00 0.00 N ATOM 1320 CZ ARG A 83 11.287 17.609 -5.403 1.00 0.00 C ATOM 1321 NH1 ARG A 83 9.970 17.488 -5.497 1.00 0.00 N ATOM 1322 NH2 ARG A 83 12.072 16.929 -6.229 1.00 0.00 N ATOM 0 H ARG A 83 7.135 17.515 -0.353 1.00 0.00 H new ATOM 0 HA ARG A 83 9.347 17.294 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.895 19.713 -1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.359 19.902 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.246 17.784 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.778 17.582 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.224 19.697 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.658 19.968 -3.100 1.00 0.00 H new ATOM 0 HE ARG A 83 12.837 18.480 -4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.363 18.010 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.563 16.873 -6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.086 17.020 -6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.662 16.315 -6.933 1.00 0.00 H new ATOM 1336 N HIS A 84 9.574 20.147 1.245 1.00 0.00 N ATOM 1337 CA HIS A 84 10.044 20.745 2.490 1.00 0.00 C ATOM 1338 C HIS A 84 9.800 22.251 2.496 1.00 0.00 C ATOM 1339 O HIS A 84 10.673 23.032 2.117 1.00 0.00 O ATOM 1340 CB HIS A 84 11.533 20.457 2.688 1.00 0.00 C ATOM 1341 CG HIS A 84 11.809 19.419 3.732 1.00 0.00 C ATOM 1342 ND1 HIS A 84 12.631 18.334 3.516 1.00 0.00 N ATOM 1343 CD2 HIS A 84 11.367 19.307 5.007 1.00 0.00 C ATOM 1344 CE1 HIS A 84 12.682 17.598 4.611 1.00 0.00 C ATOM 1345 NE2 HIS A 84 11.924 18.166 5.531 1.00 0.00 N ATOM 0 H HIS A 84 9.248 20.819 0.551 1.00 0.00 H new ATOM 0 HA HIS A 84 9.483 20.301 3.312 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.960 20.130 1.740 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.040 21.382 2.964 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.701 19.988 5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.248 16.686 4.733 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.776 17.815 6.477 1.00 0.00 H new ATOM 1353 N ARG A 85 8.608 22.650 2.927 1.00 0.00 N ATOM 1354 CA ARG A 85 8.249 24.062 2.980 1.00 0.00 C ATOM 1355 C ARG A 85 8.142 24.542 4.424 1.00 0.00 C ATOM 1356 O ARG A 85 8.870 25.441 4.847 1.00 0.00 O ATOM 1357 CB ARG A 85 6.924 24.301 2.252 1.00 0.00 C ATOM 1358 CG ARG A 85 7.094 24.744 0.808 1.00 0.00 C ATOM 1359 CD ARG A 85 7.539 26.196 0.720 1.00 0.00 C ATOM 1360 NE ARG A 85 6.519 27.112 1.222 1.00 0.00 N ATOM 1361 CZ ARG A 85 5.378 27.361 0.588 1.00 0.00 C ATOM 1362 NH1 ARG A 85 5.113 26.764 -0.566 1.00 0.00 N ATOM 1363 NH2 ARG A 85 4.499 28.208 1.109 1.00 0.00 N ATOM 0 H ARG A 85 7.875 22.016 3.244 1.00 0.00 H new ATOM 0 HA ARG A 85 9.036 24.630 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.336 23.384 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.354 25.058 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.828 24.107 0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.152 24.618 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.458 26.329 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.769 26.442 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 85 6.692 27.587 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.786 26.112 -0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.236 26.957 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.699 28.669 1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.624 28.398 0.622 1.00 0.00 H new ATOM 1377 N HIS A 86 7.228 23.937 5.177 1.00 0.00 N ATOM 1378 CA HIS A 86 7.026 24.303 6.575 1.00 0.00 C ATOM 1379 C HIS A 86 6.946 23.060 7.455 1.00 0.00 C ATOM 1380 O HIS A 86 5.860 22.632 7.846 1.00 0.00 O ATOM 1381 CB HIS A 86 5.751 25.133 6.727 1.00 0.00 C ATOM 1382 CG HIS A 86 5.699 25.924 7.998 1.00 0.00 C ATOM 1383 ND1 HIS A 86 5.957 25.375 9.237 1.00 0.00 N ATOM 1384 CD2 HIS A 86 5.419 27.230 8.217 1.00 0.00 C ATOM 1385 CE1 HIS A 86 5.836 26.309 10.163 1.00 0.00 C ATOM 1386 NE2 HIS A 86 5.510 27.444 9.571 1.00 0.00 N ATOM 0 H HIS A 86 6.616 23.192 4.843 1.00 0.00 H new ATOM 0 HA HIS A 86 7.880 24.900 6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 86 5.668 25.815 5.881 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.888 24.469 6.687 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.170 27.966 7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 86 5.979 26.169 11.224 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.352 28.335 10.043 1.00 0.00 H new ATOM 1394 N SER A 87 8.103 22.484 7.764 1.00 0.00 N ATOM 1395 CA SER A 87 8.164 21.287 8.595 1.00 0.00 C ATOM 1396 C SER A 87 9.336 21.360 9.569 1.00 0.00 C ATOM 1397 O SER A 87 10.142 22.288 9.517 1.00 0.00 O ATOM 1398 CB SER A 87 8.292 20.038 7.719 1.00 0.00 C ATOM 1399 OG SER A 87 7.086 19.294 7.713 1.00 0.00 O ATOM 0 H SER A 87 9.011 22.827 7.451 1.00 0.00 H new ATOM 0 HA SER A 87 7.240 21.227 9.170 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.549 20.329 6.700 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.106 19.414 8.087 1.00 0.00 H new ATOM 0 HG SER A 87 7.193 18.502 7.145 1.00 0.00 H new ATOM 1405 N GLU A 88 9.422 20.375 10.457 1.00 0.00 N ATOM 1406 CA GLU A 88 10.495 20.328 11.444 1.00 0.00 C ATOM 1407 C GLU A 88 11.860 20.302 10.763 1.00 0.00 C ATOM 1408 O GLU A 88 12.839 20.827 11.292 1.00 0.00 O ATOM 1409 CB GLU A 88 10.337 19.100 12.343 1.00 0.00 C ATOM 1410 CG GLU A 88 11.272 19.099 13.541 1.00 0.00 C ATOM 1411 CD GLU A 88 10.666 18.417 14.752 1.00 0.00 C ATOM 1412 OE1 GLU A 88 10.436 17.191 14.690 1.00 0.00 O ATOM 1413 OE2 GLU A 88 10.423 19.109 15.763 1.00 0.00 O ATOM 0 H GLU A 88 8.762 19.599 10.514 1.00 0.00 H new ATOM 0 HA GLU A 88 10.431 21.228 12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.307 19.049 12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.516 18.202 11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.201 18.596 13.272 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.529 20.127 13.798 1.00 0.00 H new ATOM 1420 N SER A 89 11.916 19.687 9.586 1.00 0.00 N ATOM 1421 CA SER A 89 13.161 19.589 8.833 1.00 0.00 C ATOM 1422 C SER A 89 14.206 18.795 9.613 1.00 0.00 C ATOM 1423 O SER A 89 14.894 19.336 10.478 1.00 0.00 O ATOM 1424 CB SER A 89 13.700 20.984 8.512 1.00 0.00 C ATOM 1425 OG SER A 89 12.642 21.906 8.315 1.00 0.00 O ATOM 0 H SER A 89 11.114 19.249 9.133 1.00 0.00 H new ATOM 0 HA SER A 89 12.952 19.065 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.339 21.327 9.326 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.320 20.941 7.617 1.00 0.00 H new ATOM 0 HG SER A 89 13.012 22.791 8.113 1.00 0.00 H new ATOM 1431 N GLY A 90 14.317 17.508 9.300 1.00 0.00 N ATOM 1432 CA GLY A 90 15.279 16.660 9.979 1.00 0.00 C ATOM 1433 C GLY A 90 14.736 15.271 10.252 1.00 0.00 C ATOM 1434 O GLY A 90 14.344 14.943 11.372 1.00 0.00 O ATOM 0 H GLY A 90 13.758 17.037 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 90 16.181 16.581 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.568 17.126 10.921 1.00 0.00 H new ATOM 1438 N PRO A 91 14.707 14.428 9.209 1.00 0.00 N ATOM 1439 CA PRO A 91 14.209 13.053 9.317 1.00 0.00 C ATOM 1440 C PRO A 91 15.137 12.163 10.136 1.00 0.00 C ATOM 1441 O PRO A 91 16.279 11.917 9.748 1.00 0.00 O ATOM 1442 CB PRO A 91 14.160 12.579 7.862 1.00 0.00 C ATOM 1443 CG PRO A 91 15.173 13.414 7.157 1.00 0.00 C ATOM 1444 CD PRO A 91 15.158 14.751 7.845 1.00 0.00 C ATOM 0 HA PRO A 91 13.247 13.007 9.828 1.00 0.00 H new ATOM 0 HB2 PRO A 91 14.397 11.518 7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.167 12.716 7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 91 16.161 12.958 7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.927 13.516 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 91 16.145 15.213 7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.481 15.449 7.353 1.00 0.00 H new ATOM 1452 N SER A 92 14.639 11.682 11.271 1.00 0.00 N ATOM 1453 CA SER A 92 15.425 10.821 12.147 1.00 0.00 C ATOM 1454 C SER A 92 14.517 9.953 13.012 1.00 0.00 C ATOM 1455 O SER A 92 14.883 9.566 14.122 1.00 0.00 O ATOM 1456 CB SER A 92 16.342 11.664 13.035 1.00 0.00 C ATOM 1457 OG SER A 92 17.412 10.887 13.545 1.00 0.00 O ATOM 0 H SER A 92 13.695 11.874 11.605 1.00 0.00 H new ATOM 0 HA SER A 92 16.035 10.168 11.523 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.738 12.503 12.462 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.768 12.085 13.861 1.00 0.00 H new ATOM 0 HG SER A 92 17.054 10.099 14.005 1.00 0.00 H new ATOM 1463 N SER A 93 13.330 9.650 12.496 1.00 0.00 N ATOM 1464 CA SER A 93 12.367 8.831 13.222 1.00 0.00 C ATOM 1465 C SER A 93 11.329 8.242 12.272 1.00 0.00 C ATOM 1466 O SER A 93 10.409 8.932 11.834 1.00 0.00 O ATOM 1467 CB SER A 93 11.672 9.661 14.303 1.00 0.00 C ATOM 1468 OG SER A 93 11.298 8.852 15.405 1.00 0.00 O ATOM 0 H SER A 93 13.012 9.960 11.578 1.00 0.00 H new ATOM 0 HA SER A 93 12.908 8.011 13.695 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.338 10.455 14.640 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.788 10.142 13.884 1.00 0.00 H new ATOM 0 HG SER A 93 10.857 9.406 16.083 1.00 0.00 H new ATOM 1474 N GLY A 94 11.485 6.960 11.956 1.00 0.00 N ATOM 1475 CA GLY A 94 10.555 6.298 11.060 1.00 0.00 C ATOM 1476 C GLY A 94 9.366 5.707 11.791 1.00 0.00 C ATOM 1477 O GLY A 94 9.248 4.484 11.851 1.00 0.00 O ATOM 0 H GLY A 94 12.239 6.368 12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.202 7.012 10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.076 5.507 10.521 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -10.989 -1.648 13.022 1.00 0.00 ZN