USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 496 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 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.02! C(o=-2!,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 136:sc= -2.1 (180deg=-5.96!) USER MOD Single : A 1 MET N :NH3+ 129:sc= -2.65! (180deg=-3.66!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -82:sc= -0.388 USER MOD Single : A 7 SER OG : rot 82:sc= 1.37 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -67:sc= 0.907 USER MOD Single : A 13 ASN : amide:sc= -0.0971 K(o=-0.097,f=-1.5!) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00952 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.47! C(o=-5.7!,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= 0.669 (180deg=-0.68) USER MOD Single : A 28 SER OG : rot 180:sc= -2.09! USER MOD Single : A 30 THR OG1 : rot 60:sc= 0.13 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 74:sc= 1.03 USER MOD Single : A 63 THR OG1 : rot -58:sc= 0.152! USER MOD Single : A 67 ASN : amide:sc= -17.2! C(o=-17!,f=-18!) USER MOD Single : A 68 HIS : no HD1:sc= -19.9! C(o=-20!,f=-21!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.670 10.544 -3.766 1.00 0.00 N ATOM 2 CA MET A 1 9.941 10.522 -2.301 1.00 0.00 C ATOM 3 C MET A 1 10.415 9.132 -1.883 1.00 0.00 C ATOM 4 O MET A 1 10.938 8.373 -2.675 1.00 0.00 O ATOM 5 CB MET A 1 8.665 10.877 -1.536 1.00 0.00 C ATOM 6 CG MET A 1 7.542 9.936 -1.945 1.00 0.00 C ATOM 7 SD MET A 1 7.435 8.571 -0.767 1.00 0.00 S ATOM 8 CE MET A 1 7.121 9.571 0.708 1.00 0.00 C ATOM 0 H1 MET A 1 8.722 10.936 -3.938 1.00 0.00 H new ATOM 0 H2 MET A 1 10.381 11.136 -4.242 1.00 0.00 H new ATOM 0 H3 MET A 1 9.718 9.576 -4.142 1.00 0.00 H new ATOM 0 HA MET A 1 10.717 11.252 -2.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.841 10.804 -0.463 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.381 11.909 -1.743 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.596 10.476 -1.978 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.724 9.550 -2.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.327 9.111 1.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.030 9.631 1.307 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.817 10.574 0.409 1.00 0.00 H new ATOM 20 N GLN A 2 10.227 8.791 -0.644 1.00 0.00 N ATOM 21 CA GLN A 2 10.659 7.462 -0.169 1.00 0.00 C ATOM 22 C GLN A 2 9.568 6.853 0.708 1.00 0.00 C ATOM 23 O GLN A 2 9.211 7.395 1.734 1.00 0.00 O ATOM 24 CB GLN A 2 11.956 7.591 0.642 1.00 0.00 C ATOM 25 CG GLN A 2 12.914 8.559 -0.060 1.00 0.00 C ATOM 26 CD GLN A 2 13.806 9.239 0.980 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.789 8.673 1.418 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.506 10.439 1.395 1.00 0.00 N ATOM 0 H GLN A 2 9.789 9.383 0.062 1.00 0.00 H new ATOM 0 HA GLN A 2 10.838 6.817 -1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.733 7.950 1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.427 6.614 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.526 8.021 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.349 9.308 -0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.682 10.914 1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.096 10.902 2.086 1.00 0.00 H new ATOM 37 N CYS A 3 9.052 5.719 0.331 1.00 0.00 N ATOM 38 CA CYS A 3 8.008 5.069 1.170 1.00 0.00 C ATOM 39 C CYS A 3 8.095 3.546 0.972 1.00 0.00 C ATOM 40 O CYS A 3 8.303 3.074 -0.128 1.00 0.00 O ATOM 41 CB CYS A 3 6.596 5.566 0.781 1.00 0.00 C ATOM 42 SG CYS A 3 5.966 4.615 -0.625 1.00 0.00 S ATOM 0 H CYS A 3 9.306 5.215 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 3 8.180 5.326 2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.920 5.465 1.630 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.632 6.625 0.526 1.00 0.00 H new ATOM 47 N LYS A 4 7.920 2.771 2.007 1.00 0.00 N ATOM 48 CA LYS A 4 7.974 1.296 1.832 1.00 0.00 C ATOM 49 C LYS A 4 6.876 0.904 0.844 1.00 0.00 C ATOM 50 O LYS A 4 5.722 1.218 1.039 1.00 0.00 O ATOM 51 CB LYS A 4 7.742 0.606 3.185 1.00 0.00 C ATOM 52 CG LYS A 4 9.091 0.288 3.835 1.00 0.00 C ATOM 53 CD LYS A 4 8.921 0.170 5.351 1.00 0.00 C ATOM 54 CE LYS A 4 9.839 1.176 6.047 1.00 0.00 C ATOM 55 NZ LYS A 4 10.788 0.448 6.937 1.00 0.00 N ATOM 0 H LYS A 4 7.743 3.094 2.958 1.00 0.00 H new ATOM 0 HA LYS A 4 8.948 0.987 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.155 1.251 3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.169 -0.311 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.489 -0.643 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.812 1.071 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.883 0.357 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.160 -0.842 5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.390 1.755 5.306 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.247 1.883 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 11.413 1.131 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.253 -0.086 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.361 -0.210 6.370 1.00 0.00 H new ATOM 69 N THR A 5 7.225 0.248 -0.230 1.00 0.00 N ATOM 70 CA THR A 5 6.192 -0.136 -1.236 1.00 0.00 C ATOM 71 C THR A 5 6.650 -1.381 -1.997 1.00 0.00 C ATOM 72 O THR A 5 6.624 -1.421 -3.211 1.00 0.00 O ATOM 73 CB THR A 5 5.997 1.016 -2.225 1.00 0.00 C ATOM 74 OG1 THR A 5 6.868 2.084 -1.879 1.00 0.00 O ATOM 75 CG2 THR A 5 4.546 1.498 -2.174 1.00 0.00 C ATOM 0 H THR A 5 8.178 -0.038 -0.454 1.00 0.00 H new ATOM 0 HA THR A 5 5.253 -0.349 -0.726 1.00 0.00 H new ATOM 0 HB THR A 5 6.225 0.673 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.468 2.611 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.410 2.318 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.880 0.677 -2.440 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.312 1.843 -1.167 1.00 0.00 H new ATOM 83 N CYS A 6 7.067 -2.399 -1.296 1.00 0.00 N ATOM 84 CA CYS A 6 7.522 -3.638 -1.986 1.00 0.00 C ATOM 85 C CYS A 6 6.320 -4.337 -2.621 1.00 0.00 C ATOM 86 O CYS A 6 6.012 -4.134 -3.779 1.00 0.00 O ATOM 87 CB CYS A 6 8.182 -4.576 -0.973 1.00 0.00 C ATOM 88 SG CYS A 6 9.703 -3.817 -0.353 1.00 0.00 S ATOM 0 H CYS A 6 7.112 -2.426 -0.277 1.00 0.00 H new ATOM 0 HA CYS A 6 8.243 -3.378 -2.761 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.499 -4.776 -0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 6 8.405 -5.535 -1.441 1.00 0.00 H new ATOM 93 N SER A 7 5.636 -5.159 -1.874 1.00 0.00 N ATOM 94 CA SER A 7 4.453 -5.867 -2.440 1.00 0.00 C ATOM 95 C SER A 7 3.835 -6.771 -1.370 1.00 0.00 C ATOM 96 O SER A 7 2.638 -6.980 -1.338 1.00 0.00 O ATOM 97 CB SER A 7 4.892 -6.718 -3.633 1.00 0.00 C ATOM 98 OG SER A 7 5.836 -7.687 -3.198 1.00 0.00 O ATOM 0 H SER A 7 5.844 -5.371 -0.898 1.00 0.00 H new ATOM 0 HA SER A 7 3.715 -5.134 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.028 -7.210 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.332 -6.085 -4.403 1.00 0.00 H new ATOM 0 HG SER A 7 5.364 -8.452 -2.808 1.00 0.00 H new ATOM 104 N PHE A 8 4.640 -7.313 -0.496 1.00 0.00 N ATOM 105 CA PHE A 8 4.095 -8.207 0.564 1.00 0.00 C ATOM 106 C PHE A 8 3.658 -7.374 1.774 1.00 0.00 C ATOM 107 O PHE A 8 3.659 -6.159 1.741 1.00 0.00 O ATOM 108 CB PHE A 8 5.172 -9.204 1.000 1.00 0.00 C ATOM 109 CG PHE A 8 6.034 -9.568 -0.186 1.00 0.00 C ATOM 110 CD1 PHE A 8 5.452 -10.112 -1.338 1.00 0.00 C ATOM 111 CD2 PHE A 8 7.417 -9.361 -0.131 1.00 0.00 C ATOM 112 CE1 PHE A 8 6.255 -10.449 -2.434 1.00 0.00 C ATOM 113 CE2 PHE A 8 8.220 -9.698 -1.227 1.00 0.00 C ATOM 114 CZ PHE A 8 7.639 -10.242 -2.379 1.00 0.00 C ATOM 0 H PHE A 8 5.650 -7.175 -0.471 1.00 0.00 H new ATOM 0 HA PHE A 8 3.236 -8.747 0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.786 -8.770 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.707 -10.099 1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.385 -10.271 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.865 -8.941 0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.807 -10.869 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.287 -9.538 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.258 -10.502 -3.225 1.00 0.00 H new ATOM 124 N TYR A 9 3.285 -8.026 2.841 1.00 0.00 N ATOM 125 CA TYR A 9 2.844 -7.289 4.064 1.00 0.00 C ATOM 126 C TYR A 9 3.953 -7.349 5.106 1.00 0.00 C ATOM 127 O TYR A 9 3.704 -7.420 6.293 1.00 0.00 O ATOM 128 CB TYR A 9 1.586 -7.939 4.654 1.00 0.00 C ATOM 129 CG TYR A 9 1.202 -9.166 3.857 1.00 0.00 C ATOM 130 CD1 TYR A 9 1.856 -10.383 4.086 1.00 0.00 C ATOM 131 CD2 TYR A 9 0.195 -9.083 2.891 1.00 0.00 C ATOM 132 CE1 TYR A 9 1.500 -11.517 3.348 1.00 0.00 C ATOM 133 CE2 TYR A 9 -0.161 -10.217 2.152 1.00 0.00 C ATOM 134 CZ TYR A 9 0.492 -11.434 2.380 1.00 0.00 C ATOM 135 OH TYR A 9 0.140 -12.551 1.652 1.00 0.00 O ATOM 0 H TYR A 9 3.266 -9.043 2.921 1.00 0.00 H new ATOM 0 HA TYR A 9 2.625 -6.256 3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.765 -8.214 5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.764 -7.223 4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.635 -10.446 4.832 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.308 -8.144 2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.003 -12.456 3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.939 -10.153 1.406 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.576 -12.320 1.024 1.00 0.00 H new ATOM 145 N THR A 10 5.176 -7.344 4.671 1.00 0.00 N ATOM 146 CA THR A 10 6.304 -7.423 5.635 1.00 0.00 C ATOM 147 C THR A 10 7.616 -7.275 4.872 1.00 0.00 C ATOM 148 O THR A 10 8.450 -8.158 4.865 1.00 0.00 O ATOM 149 CB THR A 10 6.258 -8.785 6.336 1.00 0.00 C ATOM 150 OG1 THR A 10 7.567 -9.155 6.749 1.00 0.00 O ATOM 151 CG2 THR A 10 5.706 -9.835 5.367 1.00 0.00 C ATOM 0 H THR A 10 5.446 -7.289 3.689 1.00 0.00 H new ATOM 0 HA THR A 10 6.227 -6.629 6.378 1.00 0.00 H new ATOM 0 HB THR A 10 5.612 -8.723 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.123 -9.325 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.672 -10.805 5.863 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.701 -9.551 5.056 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.352 -9.897 4.491 1.00 0.00 H new ATOM 159 N CYS A 11 7.800 -6.166 4.217 1.00 0.00 N ATOM 160 CA CYS A 11 9.053 -5.965 3.445 1.00 0.00 C ATOM 161 C CYS A 11 10.100 -5.281 4.325 1.00 0.00 C ATOM 162 O CYS A 11 9.958 -4.123 4.660 1.00 0.00 O ATOM 163 CB CYS A 11 8.770 -5.077 2.236 1.00 0.00 C ATOM 164 SG CYS A 11 10.248 -4.997 1.193 1.00 0.00 S ATOM 0 H CYS A 11 7.138 -5.391 4.183 1.00 0.00 H new ATOM 0 HA CYS A 11 9.427 -6.935 3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.930 -5.475 1.667 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.487 -4.076 2.563 1.00 0.00 H new ATOM 169 N PRO A 12 11.135 -6.007 4.656 1.00 0.00 N ATOM 170 CA PRO A 12 12.228 -5.472 5.473 1.00 0.00 C ATOM 171 C PRO A 12 13.068 -4.521 4.622 1.00 0.00 C ATOM 172 O PRO A 12 13.857 -3.746 5.123 1.00 0.00 O ATOM 173 CB PRO A 12 13.021 -6.716 5.886 1.00 0.00 C ATOM 174 CG PRO A 12 12.674 -7.809 4.849 1.00 0.00 C ATOM 175 CD PRO A 12 11.313 -7.415 4.247 1.00 0.00 C ATOM 0 HA PRO A 12 11.897 -4.902 6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.092 -6.511 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.751 -7.034 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.439 -7.868 4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.621 -8.790 5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.312 -7.519 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.510 -8.046 4.628 1.00 0.00 H new ATOM 183 N ASN A 13 12.881 -4.570 3.331 1.00 0.00 N ATOM 184 CA ASN A 13 13.644 -3.665 2.427 1.00 0.00 C ATOM 185 C ASN A 13 12.924 -2.314 2.355 1.00 0.00 C ATOM 186 O ASN A 13 12.061 -2.020 3.158 1.00 0.00 O ATOM 187 CB ASN A 13 13.715 -4.287 1.030 1.00 0.00 C ATOM 188 CG ASN A 13 15.012 -5.084 0.889 1.00 0.00 C ATOM 189 OD1 ASN A 13 15.646 -5.414 1.872 1.00 0.00 O ATOM 190 ND2 ASN A 13 15.437 -5.411 -0.300 1.00 0.00 N ATOM 0 H ASN A 13 12.230 -5.200 2.863 1.00 0.00 H new ATOM 0 HA ASN A 13 14.655 -3.522 2.808 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.856 -4.938 0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.672 -3.506 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.301 -5.943 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.906 -5.134 -1.125 1.00 0.00 H new ATOM 197 N SER A 14 13.266 -1.489 1.402 1.00 0.00 N ATOM 198 CA SER A 14 12.591 -0.164 1.295 1.00 0.00 C ATOM 199 C SER A 14 12.396 0.198 -0.179 1.00 0.00 C ATOM 200 O SER A 14 13.240 -0.066 -1.011 1.00 0.00 O ATOM 201 CB SER A 14 13.455 0.904 1.969 1.00 0.00 C ATOM 202 OG SER A 14 14.368 0.276 2.861 1.00 0.00 O ATOM 0 H SER A 14 13.979 -1.674 0.697 1.00 0.00 H new ATOM 0 HA SER A 14 11.620 -0.214 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.999 1.476 1.217 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.825 1.609 2.512 1.00 0.00 H new ATOM 0 HG SER A 14 14.924 0.957 3.293 1.00 0.00 H new ATOM 208 N GLU A 15 11.288 0.808 -0.507 1.00 0.00 N ATOM 209 CA GLU A 15 11.041 1.195 -1.924 1.00 0.00 C ATOM 210 C GLU A 15 10.946 2.719 -2.022 1.00 0.00 C ATOM 211 O GLU A 15 9.878 3.296 -1.963 1.00 0.00 O ATOM 212 CB GLU A 15 9.734 0.568 -2.412 1.00 0.00 C ATOM 213 CG GLU A 15 9.728 0.541 -3.940 1.00 0.00 C ATOM 214 CD GLU A 15 8.388 1.069 -4.457 1.00 0.00 C ATOM 215 OE1 GLU A 15 8.208 2.276 -4.453 1.00 0.00 O ATOM 216 OE2 GLU A 15 7.566 0.258 -4.848 1.00 0.00 O ATOM 0 H GLU A 15 10.544 1.054 0.146 1.00 0.00 H new ATOM 0 HA GLU A 15 11.862 0.838 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.633 -0.443 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.883 1.140 -2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.544 1.150 -4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.892 -0.476 -4.297 1.00 0.00 H new ATOM 223 N THR A 16 12.065 3.372 -2.157 1.00 0.00 N ATOM 224 CA THR A 16 12.066 4.857 -2.246 1.00 0.00 C ATOM 225 C THR A 16 11.244 5.327 -3.455 1.00 0.00 C ATOM 226 O THR A 16 11.641 5.160 -4.592 1.00 0.00 O ATOM 227 CB THR A 16 13.511 5.348 -2.388 1.00 0.00 C ATOM 228 OG1 THR A 16 14.178 5.214 -1.141 1.00 0.00 O ATOM 229 CG2 THR A 16 13.522 6.816 -2.818 1.00 0.00 C ATOM 0 H THR A 16 12.986 2.937 -2.210 1.00 0.00 H new ATOM 0 HA THR A 16 11.617 5.267 -1.341 1.00 0.00 H new ATOM 0 HB THR A 16 14.022 4.751 -3.143 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.103 5.526 -1.230 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.552 7.158 -2.917 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.012 6.918 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.010 7.419 -2.068 1.00 0.00 H new ATOM 237 N CYS A 17 10.114 5.938 -3.212 1.00 0.00 N ATOM 238 CA CYS A 17 9.276 6.451 -4.332 1.00 0.00 C ATOM 239 C CYS A 17 10.179 7.199 -5.311 1.00 0.00 C ATOM 240 O CYS A 17 11.311 7.505 -4.991 1.00 0.00 O ATOM 241 CB CYS A 17 8.223 7.403 -3.748 1.00 0.00 C ATOM 242 SG CYS A 17 6.888 6.437 -2.996 1.00 0.00 S ATOM 0 H CYS A 17 9.735 6.104 -2.280 1.00 0.00 H new ATOM 0 HA CYS A 17 8.778 5.635 -4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.679 8.054 -3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.824 8.046 -4.532 1.00 0.00 H new ATOM 247 N PRO A 18 9.662 7.471 -6.479 1.00 0.00 N ATOM 248 CA PRO A 18 10.422 8.184 -7.517 1.00 0.00 C ATOM 249 C PRO A 18 10.636 9.649 -7.121 1.00 0.00 C ATOM 250 O PRO A 18 10.098 10.121 -6.139 1.00 0.00 O ATOM 251 CB PRO A 18 9.547 8.041 -8.765 1.00 0.00 C ATOM 252 CG PRO A 18 8.120 7.731 -8.269 1.00 0.00 C ATOM 253 CD PRO A 18 8.279 7.112 -6.871 1.00 0.00 C ATOM 0 HA PRO A 18 11.424 7.785 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.562 8.957 -9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.916 7.242 -9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.516 8.638 -8.227 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.614 7.042 -8.945 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.548 7.514 -6.170 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.138 6.031 -6.894 1.00 0.00 H new ATOM 261 N ASP A 19 11.440 10.365 -7.865 1.00 0.00 N ATOM 262 CA ASP A 19 11.715 11.792 -7.520 1.00 0.00 C ATOM 263 C ASP A 19 10.612 12.699 -8.067 1.00 0.00 C ATOM 264 O ASP A 19 10.870 13.778 -8.562 1.00 0.00 O ATOM 265 CB ASP A 19 13.051 12.208 -8.126 1.00 0.00 C ATOM 266 CG ASP A 19 14.156 12.074 -7.077 1.00 0.00 C ATOM 267 OD1 ASP A 19 13.939 12.510 -5.958 1.00 0.00 O ATOM 268 OD2 ASP A 19 15.200 11.538 -7.408 1.00 0.00 O ATOM 0 H ASP A 19 11.919 10.022 -8.698 1.00 0.00 H new ATOM 0 HA ASP A 19 11.747 11.890 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.279 11.585 -8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.996 13.237 -8.481 1.00 0.00 H new ATOM 273 N GLY A 20 9.391 12.276 -7.970 1.00 0.00 N ATOM 274 CA GLY A 20 8.265 13.113 -8.468 1.00 0.00 C ATOM 275 C GLY A 20 6.992 12.715 -7.728 1.00 0.00 C ATOM 276 O GLY A 20 5.893 12.944 -8.192 1.00 0.00 O ATOM 0 H GLY A 20 9.118 11.381 -7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.480 14.169 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.137 12.973 -9.541 1.00 0.00 H new ATOM 280 N LYS A 21 7.135 12.121 -6.576 1.00 0.00 N ATOM 281 CA LYS A 21 5.945 11.707 -5.799 1.00 0.00 C ATOM 282 C LYS A 21 6.034 12.292 -4.396 1.00 0.00 C ATOM 283 O LYS A 21 6.807 13.195 -4.144 1.00 0.00 O ATOM 284 CB LYS A 21 5.888 10.185 -5.717 1.00 0.00 C ATOM 285 CG LYS A 21 4.872 9.649 -6.723 1.00 0.00 C ATOM 286 CD LYS A 21 3.549 10.405 -6.595 1.00 0.00 C ATOM 287 CE LYS A 21 3.305 11.230 -7.859 1.00 0.00 C ATOM 288 NZ LYS A 21 2.298 12.291 -7.573 1.00 0.00 N ATOM 0 H LYS A 21 8.032 11.906 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 21 5.043 12.072 -6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.872 9.764 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.612 9.876 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.262 9.754 -7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.709 8.585 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.730 9.702 -6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.574 11.057 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.238 11.681 -8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.952 10.586 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.132 12.852 -8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.406 11.850 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.653 12.911 -6.817 1.00 0.00 H new ATOM 302 N ASN A 22 5.244 11.804 -3.476 1.00 0.00 N ATOM 303 CA ASN A 22 5.310 12.389 -2.102 1.00 0.00 C ATOM 304 C ASN A 22 4.756 11.444 -1.022 1.00 0.00 C ATOM 305 O ASN A 22 4.781 11.779 0.145 1.00 0.00 O ATOM 306 CB ASN A 22 4.494 13.682 -2.082 1.00 0.00 C ATOM 307 CG ASN A 22 5.220 14.755 -2.895 1.00 0.00 C ATOM 308 OD1 ASN A 22 5.013 14.831 -4.183 1.00 0.00 O flip ATOM 309 ND2 ASN A 22 5.984 15.530 -2.356 1.00 0.00 N flip ATOM 0 H ASN A 22 4.573 11.047 -3.608 1.00 0.00 H new ATOM 0 HA ASN A 22 6.361 12.568 -1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.502 13.505 -2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.354 14.021 -1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.146 15.471 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.464 16.240 -2.909 1.00 0.00 H new ATOM 316 N ILE A 23 4.239 10.292 -1.359 1.00 0.00 N ATOM 317 CA ILE A 23 3.692 9.429 -0.272 1.00 0.00 C ATOM 318 C ILE A 23 3.531 7.971 -0.724 1.00 0.00 C ATOM 319 O ILE A 23 3.630 7.640 -1.886 1.00 0.00 O ATOM 320 CB ILE A 23 2.314 9.996 0.126 1.00 0.00 C ATOM 321 CG1 ILE A 23 2.489 11.010 1.257 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.361 8.880 0.586 1.00 0.00 C ATOM 323 CD1 ILE A 23 1.150 11.191 1.968 1.00 0.00 C ATOM 0 H ILE A 23 4.172 9.920 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 23 4.386 9.433 0.569 1.00 0.00 H new ATOM 0 HB ILE A 23 1.879 10.478 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.246 10.663 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.837 11.963 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.399 9.313 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.220 8.165 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.788 8.370 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.262 11.912 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.407 11.555 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.823 10.235 2.377 1.00 0.00 H new ATOM 335 N CYS A 24 3.211 7.118 0.216 1.00 0.00 N ATOM 336 CA CYS A 24 2.944 5.697 -0.101 1.00 0.00 C ATOM 337 C CYS A 24 1.433 5.513 -0.149 1.00 0.00 C ATOM 338 O CYS A 24 0.699 6.225 0.508 1.00 0.00 O ATOM 339 CB CYS A 24 3.494 4.808 0.997 1.00 0.00 C ATOM 340 SG CYS A 24 4.510 3.530 0.233 1.00 0.00 S ATOM 0 H CYS A 24 3.124 7.358 1.204 1.00 0.00 H new ATOM 0 HA CYS A 24 3.413 5.433 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.086 5.394 1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.680 4.357 1.565 1.00 0.00 H new ATOM 345 N VAL A 25 0.955 4.572 -0.903 1.00 0.00 N ATOM 346 CA VAL A 25 -0.514 4.373 -0.963 1.00 0.00 C ATOM 347 C VAL A 25 -0.823 2.903 -1.219 1.00 0.00 C ATOM 348 O VAL A 25 -0.505 2.357 -2.258 1.00 0.00 O ATOM 349 CB VAL A 25 -1.093 5.233 -2.082 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.757 6.701 -1.810 1.00 0.00 C ATOM 351 CG2 VAL A 25 -0.484 4.807 -3.419 1.00 0.00 C ATOM 0 H VAL A 25 1.510 3.937 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.963 4.667 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.175 5.106 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.168 7.322 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.189 7.002 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.325 6.826 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.897 5.421 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.598 4.937 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.718 3.759 -3.608 1.00 0.00 H new ATOM 361 N LYS A 26 -1.452 2.262 -0.278 1.00 0.00 N ATOM 362 CA LYS A 26 -1.800 0.832 -0.457 1.00 0.00 C ATOM 363 C LYS A 26 -3.249 0.620 -0.025 1.00 0.00 C ATOM 364 O LYS A 26 -3.686 1.119 0.993 1.00 0.00 O ATOM 365 CB LYS A 26 -0.865 -0.057 0.376 1.00 0.00 C ATOM 366 CG LYS A 26 -0.640 0.557 1.761 1.00 0.00 C ATOM 367 CD LYS A 26 0.845 0.469 2.122 1.00 0.00 C ATOM 368 CE LYS A 26 1.271 -0.998 2.184 1.00 0.00 C ATOM 369 NZ LYS A 26 0.739 -1.618 3.431 1.00 0.00 N ATOM 0 H LYS A 26 -1.741 2.670 0.611 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.683 0.558 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.295 -1.053 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.090 -0.173 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.966 1.597 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.238 0.031 2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.442 1.001 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.025 0.952 3.083 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.898 -1.533 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.358 -1.073 2.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.355 -2.406 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.713 -0.906 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.222 -1.975 3.258 1.00 0.00 H new ATOM 383 N ARG A 27 -3.995 -0.114 -0.796 1.00 0.00 N ATOM 384 CA ARG A 27 -5.424 -0.362 -0.445 1.00 0.00 C ATOM 385 C ARG A 27 -5.586 -1.826 -0.057 1.00 0.00 C ATOM 386 O ARG A 27 -4.649 -2.597 -0.118 1.00 0.00 O ATOM 387 CB ARG A 27 -6.325 -0.045 -1.648 1.00 0.00 C ATOM 388 CG ARG A 27 -5.497 -0.034 -2.939 1.00 0.00 C ATOM 389 CD ARG A 27 -6.428 0.113 -4.146 1.00 0.00 C ATOM 390 NE ARG A 27 -5.614 0.234 -5.389 1.00 0.00 N ATOM 391 CZ ARG A 27 -5.586 1.363 -6.044 1.00 0.00 C ATOM 392 NH1 ARG A 27 -6.700 1.926 -6.422 1.00 0.00 N ATOM 393 NH2 ARG A 27 -4.443 1.929 -6.320 1.00 0.00 N ATOM 0 H ARG A 27 -3.679 -0.557 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.713 0.280 0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.119 -0.788 -1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.806 0.923 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.781 0.788 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.921 -0.956 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.091 -0.750 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.061 0.992 -4.026 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.079 -0.565 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.594 1.484 -6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.678 2.808 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.572 1.489 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.421 2.811 -6.832 1.00 0.00 H new ATOM 407 N SER A 28 -6.757 -2.221 0.343 1.00 0.00 N ATOM 408 CA SER A 28 -6.952 -3.636 0.731 1.00 0.00 C ATOM 409 C SER A 28 -8.439 -3.971 0.704 1.00 0.00 C ATOM 410 O SER A 28 -9.204 -3.535 1.543 1.00 0.00 O ATOM 411 CB SER A 28 -6.396 -3.864 2.138 1.00 0.00 C ATOM 412 OG SER A 28 -6.684 -2.732 2.946 1.00 0.00 O ATOM 0 H SER A 28 -7.583 -1.627 0.417 1.00 0.00 H new ATOM 0 HA SER A 28 -6.425 -4.281 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.838 -4.759 2.575 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.319 -4.029 2.094 1.00 0.00 H new ATOM 0 HG SER A 28 -6.330 -2.876 3.849 1.00 0.00 H new ATOM 418 N TRP A 29 -8.846 -4.765 -0.242 1.00 0.00 N ATOM 419 CA TRP A 29 -10.268 -5.165 -0.315 1.00 0.00 C ATOM 420 C TRP A 29 -10.300 -6.673 -0.139 1.00 0.00 C ATOM 421 O TRP A 29 -9.288 -7.265 0.131 1.00 0.00 O ATOM 422 CB TRP A 29 -10.897 -4.760 -1.651 1.00 0.00 C ATOM 423 CG TRP A 29 -9.953 -4.973 -2.792 1.00 0.00 C ATOM 424 CD1 TRP A 29 -10.175 -5.812 -3.826 1.00 0.00 C ATOM 425 CD2 TRP A 29 -8.665 -4.352 -3.047 1.00 0.00 C ATOM 426 NE1 TRP A 29 -9.122 -5.730 -4.710 1.00 0.00 N ATOM 427 CE2 TRP A 29 -8.159 -4.852 -4.269 1.00 0.00 C ATOM 428 CE3 TRP A 29 -7.894 -3.413 -2.346 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -6.938 -4.434 -4.779 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -6.654 -2.995 -2.853 1.00 0.00 C ATOM 431 CH2 TRP A 29 -6.182 -3.507 -4.071 1.00 0.00 C ATOM 0 H TRP A 29 -8.248 -5.155 -0.971 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.848 -4.663 0.460 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.805 -5.340 -1.817 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -11.191 -3.711 -1.612 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.041 -6.447 -3.942 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.063 -6.255 -5.583 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -8.256 -3.010 -1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.578 -4.826 -5.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.062 -2.278 -2.304 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.229 -3.180 -4.459 1.00 0.00 H new ATOM 442 N THR A 30 -11.425 -7.303 -0.263 1.00 0.00 N ATOM 443 CA THR A 30 -11.451 -8.772 -0.066 1.00 0.00 C ATOM 444 C THR A 30 -11.880 -9.470 -1.357 1.00 0.00 C ATOM 445 O THR A 30 -12.238 -10.631 -1.368 1.00 0.00 O ATOM 446 CB THR A 30 -12.425 -9.086 1.061 1.00 0.00 C ATOM 447 OG1 THR A 30 -12.129 -10.364 1.607 1.00 0.00 O ATOM 448 CG2 THR A 30 -13.854 -9.068 0.532 1.00 0.00 C ATOM 0 H THR A 30 -12.321 -6.871 -0.490 1.00 0.00 H new ATOM 0 HA THR A 30 -10.456 -9.134 0.195 1.00 0.00 H new ATOM 0 HB THR A 30 -12.326 -8.331 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.211 -10.368 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.545 -9.294 1.344 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.080 -8.082 0.127 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.961 -9.816 -0.254 1.00 0.00 H new ATOM 456 N ALA A 31 -11.846 -8.759 -2.439 1.00 0.00 N ATOM 457 CA ALA A 31 -12.249 -9.344 -3.746 1.00 0.00 C ATOM 458 C ALA A 31 -11.273 -10.456 -4.145 1.00 0.00 C ATOM 459 O ALA A 31 -11.499 -11.178 -5.096 1.00 0.00 O ATOM 460 CB ALA A 31 -12.232 -8.243 -4.805 1.00 0.00 C ATOM 0 H ALA A 31 -11.553 -7.783 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.250 -9.767 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.526 -8.660 -5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.930 -7.455 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.227 -7.827 -4.881 1.00 0.00 H new ATOM 466 N VAL A 32 -10.189 -10.600 -3.431 1.00 0.00 N ATOM 467 CA VAL A 32 -9.206 -11.667 -3.782 1.00 0.00 C ATOM 468 C VAL A 32 -9.755 -13.030 -3.355 1.00 0.00 C ATOM 469 O VAL A 32 -9.736 -13.381 -2.192 1.00 0.00 O ATOM 470 CB VAL A 32 -7.883 -11.403 -3.058 1.00 0.00 C ATOM 471 CG1 VAL A 32 -8.133 -11.320 -1.552 1.00 0.00 C ATOM 472 CG2 VAL A 32 -6.906 -12.544 -3.351 1.00 0.00 C ATOM 0 H VAL A 32 -9.942 -10.028 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.039 -11.663 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.459 -10.462 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.191 -11.132 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.829 -10.508 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.557 -12.261 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.964 -12.357 -2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.330 -13.485 -3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.727 -12.603 -4.425 1.00 0.00 H new ATOM 482 N ARG A 33 -10.248 -13.800 -4.286 1.00 0.00 N ATOM 483 CA ARG A 33 -10.800 -15.139 -3.929 1.00 0.00 C ATOM 484 C ARG A 33 -10.163 -16.217 -4.813 1.00 0.00 C ATOM 485 O ARG A 33 -10.358 -17.398 -4.602 1.00 0.00 O ATOM 486 CB ARG A 33 -12.314 -15.143 -4.148 1.00 0.00 C ATOM 487 CG ARG A 33 -12.923 -13.842 -3.614 1.00 0.00 C ATOM 488 CD ARG A 33 -13.924 -13.294 -4.635 1.00 0.00 C ATOM 489 NE ARG A 33 -15.254 -13.929 -4.414 1.00 0.00 N ATOM 490 CZ ARG A 33 -16.275 -13.578 -5.148 1.00 0.00 C ATOM 491 NH1 ARG A 33 -16.084 -12.987 -6.294 1.00 0.00 N ATOM 492 NH2 ARG A 33 -17.489 -13.820 -4.734 1.00 0.00 N ATOM 0 H ARG A 33 -10.293 -13.561 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.577 -15.348 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.536 -15.249 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.761 -15.998 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.421 -14.024 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.138 -13.109 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.005 -12.211 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.575 -13.497 -5.648 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.367 -14.638 -3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.136 -12.798 -6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.883 -12.713 -6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.639 -14.283 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -18.287 -13.546 -5.307 1.00 0.00 H new ATOM 506 N GLY A 34 -9.410 -15.824 -5.803 1.00 0.00 N ATOM 507 CA GLY A 34 -8.774 -16.831 -6.700 1.00 0.00 C ATOM 508 C GLY A 34 -7.653 -17.557 -5.952 1.00 0.00 C ATOM 509 O GLY A 34 -7.265 -18.652 -6.310 1.00 0.00 O ATOM 0 H GLY A 34 -9.207 -14.850 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.519 -17.549 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.373 -16.340 -7.587 1.00 0.00 H new ATOM 513 N ASP A 35 -7.125 -16.959 -4.920 1.00 0.00 N ATOM 514 CA ASP A 35 -6.028 -17.622 -4.161 1.00 0.00 C ATOM 515 C ASP A 35 -6.473 -17.863 -2.718 1.00 0.00 C ATOM 516 O ASP A 35 -6.164 -18.877 -2.124 1.00 0.00 O ATOM 517 CB ASP A 35 -4.788 -16.726 -4.167 1.00 0.00 C ATOM 518 CG ASP A 35 -3.529 -17.595 -4.139 1.00 0.00 C ATOM 519 OD1 ASP A 35 -3.287 -18.222 -3.121 1.00 0.00 O ATOM 520 OD2 ASP A 35 -2.827 -17.619 -5.136 1.00 0.00 O ATOM 0 H ASP A 35 -7.405 -16.043 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.791 -18.576 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.787 -16.095 -5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.803 -16.061 -3.303 1.00 0.00 H new ATOM 525 N GLY A 36 -7.194 -16.938 -2.146 1.00 0.00 N ATOM 526 CA GLY A 36 -7.654 -17.119 -0.743 1.00 0.00 C ATOM 527 C GLY A 36 -8.466 -15.897 -0.310 1.00 0.00 C ATOM 528 O GLY A 36 -8.278 -14.813 -0.826 1.00 0.00 O ATOM 0 H GLY A 36 -7.483 -16.066 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.262 -18.020 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.797 -17.252 -0.083 1.00 0.00 H new ATOM 532 N PRO A 37 -9.352 -16.112 0.628 1.00 0.00 N ATOM 533 CA PRO A 37 -10.221 -15.050 1.161 1.00 0.00 C ATOM 534 C PRO A 37 -9.459 -14.178 2.165 1.00 0.00 C ATOM 535 O PRO A 37 -9.691 -14.241 3.356 1.00 0.00 O ATOM 536 CB PRO A 37 -11.344 -15.823 1.854 1.00 0.00 C ATOM 537 CG PRO A 37 -10.775 -17.225 2.178 1.00 0.00 C ATOM 538 CD PRO A 37 -9.570 -17.438 1.243 1.00 0.00 C ATOM 0 HA PRO A 37 -10.586 -14.371 0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.662 -15.313 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.219 -15.899 1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.470 -17.288 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.529 -17.995 2.019 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.691 -17.771 1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.779 -18.197 0.490 1.00 0.00 H new ATOM 546 N LYS A 38 -8.557 -13.359 1.694 1.00 0.00 N ATOM 547 CA LYS A 38 -7.792 -12.482 2.626 1.00 0.00 C ATOM 548 C LYS A 38 -8.119 -11.017 2.318 1.00 0.00 C ATOM 549 O LYS A 38 -9.149 -10.511 2.714 1.00 0.00 O ATOM 550 CB LYS A 38 -6.291 -12.732 2.455 1.00 0.00 C ATOM 551 CG LYS A 38 -5.509 -11.787 3.372 1.00 0.00 C ATOM 552 CD LYS A 38 -4.156 -12.413 3.717 1.00 0.00 C ATOM 553 CE LYS A 38 -3.196 -11.325 4.201 1.00 0.00 C ATOM 554 NZ LYS A 38 -2.734 -11.646 5.580 1.00 0.00 N ATOM 0 H LYS A 38 -8.318 -13.260 0.707 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.071 -12.707 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.054 -13.768 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.001 -12.572 1.417 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.362 -10.825 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.076 -11.596 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.281 -13.172 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.742 -12.914 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.342 -11.253 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.693 -10.355 4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.081 -10.906 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.554 -11.693 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.244 -12.563 5.577 1.00 0.00 H new ATOM 568 N ARG A 39 -7.259 -10.328 1.613 1.00 0.00 N ATOM 569 CA ARG A 39 -7.544 -8.908 1.288 1.00 0.00 C ATOM 570 C ARG A 39 -6.687 -8.461 0.104 1.00 0.00 C ATOM 571 O ARG A 39 -5.503 -8.220 0.231 1.00 0.00 O ATOM 572 CB ARG A 39 -7.240 -8.029 2.500 1.00 0.00 C ATOM 573 CG ARG A 39 -8.354 -6.991 2.655 1.00 0.00 C ATOM 574 CD ARG A 39 -8.390 -6.480 4.094 1.00 0.00 C ATOM 575 NE ARG A 39 -8.210 -7.622 5.034 1.00 0.00 N ATOM 576 CZ ARG A 39 -7.563 -7.449 6.154 1.00 0.00 C ATOM 577 NH1 ARG A 39 -6.419 -6.821 6.157 1.00 0.00 N ATOM 578 NH2 ARG A 39 -8.060 -7.904 7.271 1.00 0.00 N ATOM 0 H ARG A 39 -6.376 -10.690 1.252 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.597 -8.810 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.167 -8.640 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.278 -7.533 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.188 -6.161 1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.315 -7.434 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.603 -5.741 4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.339 -5.981 4.290 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.592 -8.539 4.802 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.030 -6.465 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.914 -6.686 7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.954 -8.395 7.269 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.554 -7.769 8.147 1.00 0.00 H new ATOM 592 N GLU A 40 -7.288 -8.336 -1.045 1.00 0.00 N ATOM 593 CA GLU A 40 -6.539 -7.891 -2.251 1.00 0.00 C ATOM 594 C GLU A 40 -5.923 -6.521 -1.977 1.00 0.00 C ATOM 595 O GLU A 40 -6.565 -5.514 -2.142 1.00 0.00 O ATOM 596 CB GLU A 40 -7.535 -7.756 -3.401 1.00 0.00 C ATOM 597 CG GLU A 40 -6.808 -7.460 -4.705 1.00 0.00 C ATOM 598 CD GLU A 40 -5.914 -8.644 -5.075 1.00 0.00 C ATOM 599 OE1 GLU A 40 -6.452 -9.675 -5.445 1.00 0.00 O ATOM 600 OE2 GLU A 40 -4.706 -8.500 -4.982 1.00 0.00 O ATOM 0 H GLU A 40 -8.278 -8.526 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.755 -8.607 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.112 -8.676 -3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.244 -6.957 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.529 -7.273 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.207 -6.556 -4.601 1.00 0.00 H new ATOM 607 N ILE A 41 -4.692 -6.461 -1.555 1.00 0.00 N ATOM 608 CA ILE A 41 -4.091 -5.125 -1.278 1.00 0.00 C ATOM 609 C ILE A 41 -3.193 -4.693 -2.440 1.00 0.00 C ATOM 610 O ILE A 41 -2.877 -5.467 -3.323 1.00 0.00 O ATOM 611 CB ILE A 41 -3.275 -5.180 0.014 1.00 0.00 C ATOM 612 CG1 ILE A 41 -1.972 -5.942 -0.233 1.00 0.00 C ATOM 613 CG2 ILE A 41 -4.085 -5.887 1.100 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.790 -5.014 0.042 1.00 0.00 C ATOM 0 H ILE A 41 -4.084 -7.263 -1.392 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.894 -4.397 -1.166 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.043 -4.166 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.920 -6.818 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.936 -6.302 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.503 -5.926 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.010 -5.339 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.320 -6.901 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.142 -5.551 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.842 -4.152 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.826 -4.676 1.078 1.00 0.00 H new ATOM 626 N ARG A 42 -2.789 -3.452 -2.442 1.00 0.00 N ATOM 627 CA ARG A 42 -1.920 -2.934 -3.536 1.00 0.00 C ATOM 628 C ARG A 42 -1.039 -1.812 -2.968 1.00 0.00 C ATOM 629 O ARG A 42 -1.242 -1.375 -1.855 1.00 0.00 O ATOM 630 CB ARG A 42 -2.819 -2.393 -4.657 1.00 0.00 C ATOM 631 CG ARG A 42 -1.980 -1.729 -5.753 1.00 0.00 C ATOM 632 CD ARG A 42 -1.021 -2.750 -6.369 1.00 0.00 C ATOM 633 NE ARG A 42 -1.745 -3.554 -7.394 1.00 0.00 N ATOM 634 CZ ARG A 42 -1.073 -4.221 -8.293 1.00 0.00 C ATOM 635 NH1 ARG A 42 -0.326 -3.586 -9.152 1.00 0.00 N ATOM 636 NH2 ARG A 42 -1.149 -5.523 -8.330 1.00 0.00 N ATOM 0 H ARG A 42 -3.027 -2.768 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.282 -3.722 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.405 -3.207 -5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.526 -1.672 -4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.633 -1.319 -6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.417 -0.894 -5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.172 -2.240 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.621 -3.404 -5.594 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.765 -3.583 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.267 -2.568 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.199 -4.107 -9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.733 -6.019 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.624 -6.045 -9.032 1.00 0.00 H new ATOM 650 N ARG A 43 -0.063 -1.350 -3.707 1.00 0.00 N ATOM 651 CA ARG A 43 0.817 -0.262 -3.179 1.00 0.00 C ATOM 652 C ARG A 43 1.237 0.674 -4.320 1.00 0.00 C ATOM 653 O ARG A 43 1.093 0.353 -5.483 1.00 0.00 O ATOM 654 CB ARG A 43 2.068 -0.877 -2.542 1.00 0.00 C ATOM 655 CG ARG A 43 1.700 -2.185 -1.838 1.00 0.00 C ATOM 656 CD ARG A 43 1.757 -3.343 -2.838 1.00 0.00 C ATOM 657 NE ARG A 43 3.000 -3.237 -3.654 1.00 0.00 N ATOM 658 CZ ARG A 43 2.998 -3.631 -4.898 1.00 0.00 C ATOM 659 NH1 ARG A 43 2.709 -4.869 -5.191 1.00 0.00 N ATOM 660 NH2 ARG A 43 3.288 -2.787 -5.851 1.00 0.00 N ATOM 0 H ARG A 43 0.162 -1.676 -4.647 1.00 0.00 H new ATOM 0 HA ARG A 43 0.266 0.308 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.822 -1.064 -3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.505 -0.179 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.387 -2.371 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.700 -2.110 -1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.737 -4.296 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.881 -3.321 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 43 3.851 -2.857 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.484 -5.530 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.708 -5.176 -6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.516 -1.819 -5.623 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.286 -3.095 -6.823 1.00 0.00 H new ATOM 674 N GLU A 44 1.760 1.831 -3.993 1.00 0.00 N ATOM 675 CA GLU A 44 2.194 2.790 -5.056 1.00 0.00 C ATOM 676 C GLU A 44 2.609 4.121 -4.412 1.00 0.00 C ATOM 677 O GLU A 44 2.629 4.255 -3.205 1.00 0.00 O ATOM 678 CB GLU A 44 1.035 3.032 -6.027 1.00 0.00 C ATOM 679 CG GLU A 44 1.566 3.051 -7.463 1.00 0.00 C ATOM 680 CD GLU A 44 0.517 2.461 -8.406 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.317 3.215 -8.881 1.00 0.00 O ATOM 682 OE2 GLU A 44 0.564 1.263 -8.638 1.00 0.00 O ATOM 0 H GLU A 44 1.905 2.152 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 44 3.042 2.371 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.284 2.249 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.545 3.978 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.803 4.073 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.491 2.478 -7.527 1.00 0.00 H new ATOM 689 N CYS A 45 2.941 5.106 -5.208 1.00 0.00 N ATOM 690 CA CYS A 45 3.351 6.425 -4.635 1.00 0.00 C ATOM 691 C CYS A 45 2.355 7.508 -5.085 1.00 0.00 C ATOM 692 O CYS A 45 1.920 7.530 -6.220 1.00 0.00 O ATOM 693 CB CYS A 45 4.762 6.784 -5.119 1.00 0.00 C ATOM 694 SG CYS A 45 5.949 5.545 -4.546 1.00 0.00 S ATOM 0 H CYS A 45 2.946 5.055 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 45 3.353 6.364 -3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.779 6.839 -6.207 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.043 7.769 -4.746 1.00 0.00 H new ATOM 699 N ALA A 46 1.982 8.397 -4.197 1.00 0.00 N ATOM 700 CA ALA A 46 1.004 9.469 -4.556 1.00 0.00 C ATOM 701 C ALA A 46 1.106 10.615 -3.551 1.00 0.00 C ATOM 702 O ALA A 46 2.018 10.676 -2.754 1.00 0.00 O ATOM 703 CB ALA A 46 -0.409 8.897 -4.466 1.00 0.00 C ATOM 0 H ALA A 46 2.316 8.425 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 46 1.219 9.828 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.132 9.670 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.508 8.061 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.597 8.551 -3.450 1.00 0.00 H new ATOM 709 N ALA A 47 0.137 11.492 -3.552 1.00 0.00 N ATOM 710 CA ALA A 47 0.128 12.598 -2.557 1.00 0.00 C ATOM 711 C ALA A 47 -0.537 12.021 -1.311 1.00 0.00 C ATOM 712 O ALA A 47 -0.205 12.343 -0.188 1.00 0.00 O ATOM 713 CB ALA A 47 -0.688 13.777 -3.092 1.00 0.00 C ATOM 0 H ALA A 47 -0.649 11.488 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 47 1.133 12.964 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.689 14.582 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.244 14.135 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.712 13.455 -3.279 1.00 0.00 H new ATOM 719 N THR A 48 -1.450 11.116 -1.541 1.00 0.00 N ATOM 720 CA THR A 48 -2.154 10.411 -0.438 1.00 0.00 C ATOM 721 C THR A 48 -2.602 9.074 -0.972 1.00 0.00 C ATOM 722 O THR A 48 -2.525 8.794 -2.151 1.00 0.00 O ATOM 723 CB THR A 48 -3.425 11.140 0.010 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.877 11.991 -1.035 1.00 0.00 O ATOM 725 CG2 THR A 48 -3.136 11.969 1.262 1.00 0.00 C ATOM 0 H THR A 48 -1.743 10.830 -2.475 1.00 0.00 H new ATOM 0 HA THR A 48 -1.468 10.344 0.406 1.00 0.00 H new ATOM 0 HB THR A 48 -4.198 10.406 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.691 12.456 -0.749 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.044 12.484 1.575 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.797 11.312 2.063 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.360 12.702 1.042 1.00 0.00 H new ATOM 733 N CYS A 49 -3.134 8.279 -0.121 1.00 0.00 N ATOM 734 CA CYS A 49 -3.669 6.984 -0.560 1.00 0.00 C ATOM 735 C CYS A 49 -5.032 7.300 -1.182 1.00 0.00 C ATOM 736 O CYS A 49 -5.558 8.370 -0.951 1.00 0.00 O ATOM 737 CB CYS A 49 -3.802 6.072 0.666 1.00 0.00 C ATOM 738 SG CYS A 49 -4.697 6.945 1.981 1.00 0.00 S ATOM 0 H CYS A 49 -3.224 8.470 0.877 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.032 6.470 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.332 5.158 0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.815 5.775 1.020 1.00 0.00 H new ATOM 743 N PRO A 50 -5.573 6.402 -1.952 1.00 0.00 N ATOM 744 CA PRO A 50 -6.879 6.636 -2.599 1.00 0.00 C ATOM 745 C PRO A 50 -7.966 6.835 -1.535 1.00 0.00 C ATOM 746 O PRO A 50 -8.359 5.910 -0.863 1.00 0.00 O ATOM 747 CB PRO A 50 -7.087 5.378 -3.452 1.00 0.00 C ATOM 748 CG PRO A 50 -6.150 4.301 -2.859 1.00 0.00 C ATOM 749 CD PRO A 50 -4.982 5.079 -2.225 1.00 0.00 C ATOM 0 HA PRO A 50 -6.922 7.537 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.127 5.052 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.847 5.571 -4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.668 3.696 -2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.795 3.620 -3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.626 4.600 -1.313 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.130 5.149 -2.901 1.00 0.00 H new ATOM 757 N PRO A 51 -8.415 8.057 -1.400 1.00 0.00 N ATOM 758 CA PRO A 51 -9.432 8.410 -0.396 1.00 0.00 C ATOM 759 C PRO A 51 -10.763 7.794 -0.776 1.00 0.00 C ATOM 760 O PRO A 51 -11.511 8.339 -1.563 1.00 0.00 O ATOM 761 CB PRO A 51 -9.499 9.932 -0.456 1.00 0.00 C ATOM 762 CG PRO A 51 -8.955 10.317 -1.845 1.00 0.00 C ATOM 763 CD PRO A 51 -7.995 9.187 -2.252 1.00 0.00 C ATOM 0 HA PRO A 51 -9.194 8.048 0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.522 10.285 -0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.902 10.382 0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.765 10.419 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.437 11.275 -1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.084 8.946 -3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.955 9.460 -2.074 1.00 0.00 H new ATOM 771 N SER A 52 -11.063 6.661 -0.231 1.00 0.00 N ATOM 772 CA SER A 52 -12.344 6.019 -0.576 1.00 0.00 C ATOM 773 C SER A 52 -13.291 6.099 0.625 1.00 0.00 C ATOM 774 O SER A 52 -13.019 6.781 1.594 1.00 0.00 O ATOM 775 CB SER A 52 -12.102 4.554 -0.942 1.00 0.00 C ATOM 776 OG SER A 52 -11.819 4.459 -2.332 1.00 0.00 O ATOM 0 H SER A 52 -10.480 6.154 0.435 1.00 0.00 H new ATOM 0 HA SER A 52 -12.791 6.533 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.270 4.154 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.979 3.956 -0.696 1.00 0.00 H new ATOM 0 HG SER A 52 -11.662 3.522 -2.570 1.00 0.00 H new ATOM 782 N LYS A 53 -14.382 5.384 0.588 1.00 0.00 N ATOM 783 CA LYS A 53 -15.320 5.396 1.750 1.00 0.00 C ATOM 784 C LYS A 53 -14.966 4.207 2.642 1.00 0.00 C ATOM 785 O LYS A 53 -15.778 3.692 3.384 1.00 0.00 O ATOM 786 CB LYS A 53 -16.764 5.263 1.258 1.00 0.00 C ATOM 787 CG LYS A 53 -17.159 6.522 0.486 1.00 0.00 C ATOM 788 CD LYS A 53 -16.669 6.410 -0.959 1.00 0.00 C ATOM 789 CE LYS A 53 -17.243 7.562 -1.784 1.00 0.00 C ATOM 790 NZ LYS A 53 -18.163 7.019 -2.823 1.00 0.00 N ATOM 0 H LYS A 53 -14.665 4.793 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.231 6.331 2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.862 4.386 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.435 5.117 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.241 6.648 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.727 7.403 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.580 6.436 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.976 5.455 -1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -17.778 8.256 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.436 8.123 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.554 7.802 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.639 6.373 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -18.939 6.502 -2.363 1.00 0.00 H new ATOM 804 N LEU A 54 -13.745 3.766 2.539 1.00 0.00 N ATOM 805 CA LEU A 54 -13.261 2.605 3.324 1.00 0.00 C ATOM 806 C LEU A 54 -13.767 1.312 2.690 1.00 0.00 C ATOM 807 O LEU A 54 -13.330 0.235 3.045 1.00 0.00 O ATOM 808 CB LEU A 54 -13.695 2.687 4.790 1.00 0.00 C ATOM 809 CG LEU A 54 -12.453 2.667 5.707 1.00 0.00 C ATOM 810 CD1 LEU A 54 -11.362 1.731 5.145 1.00 0.00 C ATOM 811 CD2 LEU A 54 -11.889 4.085 5.816 1.00 0.00 C ATOM 0 H LEU A 54 -13.043 4.177 1.923 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.171 2.617 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.268 3.599 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.350 1.850 5.032 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.753 2.298 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.499 1.737 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.756 0.717 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -11.060 2.077 4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.011 4.079 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.608 4.442 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.646 4.746 6.238 1.00 0.00 H new ATOM 823 N GLY A 55 -14.629 1.391 1.704 1.00 0.00 N ATOM 824 CA GLY A 55 -15.052 0.131 1.039 1.00 0.00 C ATOM 825 C GLY A 55 -13.745 -0.496 0.565 1.00 0.00 C ATOM 826 O GLY A 55 -13.584 -1.698 0.489 1.00 0.00 O ATOM 0 H GLY A 55 -15.045 2.250 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.582 -0.526 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.726 0.327 0.205 1.00 0.00 H new ATOM 830 N LEU A 56 -12.787 0.360 0.328 1.00 0.00 N ATOM 831 CA LEU A 56 -11.428 -0.068 -0.055 1.00 0.00 C ATOM 832 C LEU A 56 -10.506 0.523 1.011 1.00 0.00 C ATOM 833 O LEU A 56 -10.267 1.714 1.043 1.00 0.00 O ATOM 834 CB LEU A 56 -11.070 0.492 -1.427 1.00 0.00 C ATOM 835 CG LEU A 56 -9.841 -0.245 -1.947 1.00 0.00 C ATOM 836 CD1 LEU A 56 -10.209 -1.703 -2.198 1.00 0.00 C ATOM 837 CD2 LEU A 56 -9.366 0.402 -3.251 1.00 0.00 C ATOM 0 H LEU A 56 -12.904 1.371 0.389 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.342 -1.153 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.905 0.368 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.869 1.561 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.038 -0.190 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.336 -2.240 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.545 -2.159 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.009 -1.754 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.487 -0.127 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.161 0.348 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.111 1.446 -3.067 1.00 0.00 H new ATOM 849 N THR A 57 -10.037 -0.282 1.915 1.00 0.00 N ATOM 850 CA THR A 57 -9.184 0.257 3.020 1.00 0.00 C ATOM 851 C THR A 57 -7.934 0.934 2.460 1.00 0.00 C ATOM 852 O THR A 57 -7.061 0.285 1.926 1.00 0.00 O ATOM 853 CB THR A 57 -8.780 -0.891 3.951 1.00 0.00 C ATOM 854 OG1 THR A 57 -9.896 -1.256 4.754 1.00 0.00 O ATOM 855 CG2 THR A 57 -7.625 -0.451 4.854 1.00 0.00 C ATOM 0 H THR A 57 -10.203 -1.288 1.943 1.00 0.00 H new ATOM 0 HA THR A 57 -9.755 1.001 3.575 1.00 0.00 H new ATOM 0 HB THR A 57 -8.459 -1.744 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.643 -1.991 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.344 -1.273 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.770 -0.170 4.240 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.937 0.404 5.454 1.00 0.00 H new ATOM 863 N VAL A 58 -7.826 2.236 2.595 1.00 0.00 N ATOM 864 CA VAL A 58 -6.615 2.926 2.079 1.00 0.00 C ATOM 865 C VAL A 58 -5.533 2.940 3.152 1.00 0.00 C ATOM 866 O VAL A 58 -5.801 2.806 4.329 1.00 0.00 O ATOM 867 CB VAL A 58 -6.893 4.386 1.691 1.00 0.00 C ATOM 868 CG1 VAL A 58 -6.546 4.575 0.228 1.00 0.00 C ATOM 869 CG2 VAL A 58 -8.353 4.772 1.904 1.00 0.00 C ATOM 0 H VAL A 58 -8.520 2.839 3.036 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.298 2.376 1.193 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.283 5.024 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.739 5.608 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.492 4.345 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.157 3.908 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.500 5.813 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.991 4.133 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.613 4.646 2.955 1.00 0.00 H new ATOM 879 N PHE A 59 -4.312 3.140 2.749 1.00 0.00 N ATOM 880 CA PHE A 59 -3.205 3.210 3.733 1.00 0.00 C ATOM 881 C PHE A 59 -2.094 4.079 3.148 1.00 0.00 C ATOM 882 O PHE A 59 -1.290 3.635 2.355 1.00 0.00 O ATOM 883 CB PHE A 59 -2.669 1.809 4.042 1.00 0.00 C ATOM 884 CG PHE A 59 -1.399 1.922 4.858 1.00 0.00 C ATOM 885 CD1 PHE A 59 -1.130 3.091 5.587 1.00 0.00 C ATOM 886 CD2 PHE A 59 -0.489 0.860 4.885 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.046 3.194 6.338 1.00 0.00 C ATOM 888 CE2 PHE A 59 0.688 0.965 5.636 1.00 0.00 C ATOM 889 CZ PHE A 59 0.955 2.131 6.363 1.00 0.00 C ATOM 0 H PHE A 59 -4.034 3.258 1.775 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.570 3.643 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.416 1.235 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.471 1.271 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.832 3.912 5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.694 -0.041 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.252 4.094 6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.391 0.145 5.654 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.863 2.210 6.943 1.00 0.00 H new ATOM 899 N CYS A 60 -2.059 5.323 3.526 1.00 0.00 N ATOM 900 CA CYS A 60 -1.018 6.243 2.982 1.00 0.00 C ATOM 901 C CYS A 60 -0.099 6.709 4.112 1.00 0.00 C ATOM 902 O CYS A 60 -0.497 6.796 5.255 1.00 0.00 O ATOM 903 CB CYS A 60 -1.687 7.468 2.342 1.00 0.00 C ATOM 904 SG CYS A 60 -3.280 7.816 3.144 1.00 0.00 S ATOM 0 H CYS A 60 -2.707 5.747 4.190 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.435 5.711 2.230 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.032 8.335 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.840 7.291 1.277 1.00 0.00 H new ATOM 909 N CYS A 61 1.127 7.020 3.793 1.00 0.00 N ATOM 910 CA CYS A 61 2.072 7.496 4.849 1.00 0.00 C ATOM 911 C CYS A 61 2.817 8.727 4.338 1.00 0.00 C ATOM 912 O CYS A 61 2.900 8.969 3.152 1.00 0.00 O ATOM 913 CB CYS A 61 3.079 6.396 5.187 1.00 0.00 C ATOM 914 SG CYS A 61 4.261 7.005 6.417 1.00 0.00 S ATOM 0 H CYS A 61 1.517 6.966 2.852 1.00 0.00 H new ATOM 0 HA CYS A 61 1.509 7.750 5.747 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.558 5.519 5.572 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.606 6.083 4.286 1.00 0.00 H new ATOM 919 N THR A 62 3.359 9.506 5.230 1.00 0.00 N ATOM 920 CA THR A 62 4.097 10.729 4.805 1.00 0.00 C ATOM 921 C THR A 62 5.487 10.742 5.446 1.00 0.00 C ATOM 922 O THR A 62 5.784 11.561 6.292 1.00 0.00 O ATOM 923 CB THR A 62 3.321 11.973 5.250 1.00 0.00 C ATOM 924 OG1 THR A 62 3.529 12.186 6.639 1.00 0.00 O ATOM 925 CG2 THR A 62 1.829 11.769 4.981 1.00 0.00 C ATOM 0 H THR A 62 3.323 9.349 6.237 1.00 0.00 H new ATOM 0 HA THR A 62 4.199 10.729 3.720 1.00 0.00 H new ATOM 0 HB THR A 62 3.673 12.841 4.692 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.435 12.529 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.278 12.654 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.671 11.605 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.474 10.902 5.538 1.00 0.00 H new ATOM 933 N THR A 63 6.341 9.840 5.047 1.00 0.00 N ATOM 934 CA THR A 63 7.711 9.800 5.630 1.00 0.00 C ATOM 935 C THR A 63 8.582 8.863 4.791 1.00 0.00 C ATOM 936 O THR A 63 8.081 8.026 4.066 1.00 0.00 O ATOM 937 CB THR A 63 7.639 9.281 7.068 1.00 0.00 C ATOM 938 OG1 THR A 63 6.385 9.637 7.635 1.00 0.00 O ATOM 939 CG2 THR A 63 8.768 9.900 7.894 1.00 0.00 C ATOM 0 H THR A 63 6.149 9.129 4.342 1.00 0.00 H new ATOM 0 HA THR A 63 8.141 10.801 5.630 1.00 0.00 H new ATOM 0 HB THR A 63 7.745 8.196 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.279 10.611 7.608 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.715 9.529 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.729 9.627 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.665 10.985 7.895 1.00 0.00 H new ATOM 947 N ASP A 64 9.879 8.988 4.878 1.00 0.00 N ATOM 948 CA ASP A 64 10.749 8.086 4.072 1.00 0.00 C ATOM 949 C ASP A 64 10.381 6.639 4.393 1.00 0.00 C ATOM 950 O ASP A 64 10.053 6.319 5.517 1.00 0.00 O ATOM 951 CB ASP A 64 12.228 8.322 4.393 1.00 0.00 C ATOM 952 CG ASP A 64 12.457 9.790 4.758 1.00 0.00 C ATOM 953 OD1 ASP A 64 11.796 10.634 4.176 1.00 0.00 O ATOM 954 OD2 ASP A 64 13.289 10.044 5.613 1.00 0.00 O ATOM 0 H ASP A 64 10.368 9.665 5.463 1.00 0.00 H new ATOM 0 HA ASP A 64 10.594 8.293 3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.536 7.681 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.842 8.052 3.534 1.00 0.00 H new ATOM 959 N ASN A 65 10.435 5.776 3.406 1.00 0.00 N ATOM 960 CA ASN A 65 10.090 4.332 3.600 1.00 0.00 C ATOM 961 C ASN A 65 9.196 4.128 4.833 1.00 0.00 C ATOM 962 O ASN A 65 9.673 3.778 5.894 1.00 0.00 O ATOM 963 CB ASN A 65 11.377 3.524 3.776 1.00 0.00 C ATOM 964 CG ASN A 65 12.425 4.010 2.774 1.00 0.00 C ATOM 965 OD1 ASN A 65 12.089 4.482 1.706 1.00 0.00 O ATOM 966 ND2 ASN A 65 13.692 3.915 3.075 1.00 0.00 N ATOM 0 H ASN A 65 10.710 6.018 2.454 1.00 0.00 H new ATOM 0 HA ASN A 65 9.543 3.993 2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.752 3.635 4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.177 2.463 3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.399 4.237 2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.975 3.519 3.971 1.00 0.00 H new ATOM 973 N CYS A 66 7.907 4.339 4.715 1.00 0.00 N ATOM 974 CA CYS A 66 7.027 4.143 5.898 1.00 0.00 C ATOM 975 C CYS A 66 5.655 3.615 5.473 1.00 0.00 C ATOM 976 O CYS A 66 4.778 4.354 5.075 1.00 0.00 O ATOM 977 CB CYS A 66 6.864 5.470 6.649 1.00 0.00 C ATOM 978 SG CYS A 66 6.072 6.693 5.572 1.00 0.00 S ATOM 0 H CYS A 66 7.436 4.635 3.860 1.00 0.00 H new ATOM 0 HA CYS A 66 7.491 3.408 6.556 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.263 5.319 7.546 1.00 0.00 H new ATOM 0 HB3 CYS A 66 7.838 5.836 6.975 1.00 0.00 H new ATOM 983 N ASN A 67 5.475 2.331 5.577 1.00 0.00 N ATOM 984 CA ASN A 67 4.176 1.699 5.214 1.00 0.00 C ATOM 985 C ASN A 67 4.301 0.200 5.476 1.00 0.00 C ATOM 986 O ASN A 67 3.369 -0.455 5.897 1.00 0.00 O ATOM 987 CB ASN A 67 3.863 1.945 3.735 1.00 0.00 C ATOM 988 CG ASN A 67 2.612 2.820 3.594 1.00 0.00 C ATOM 989 OD1 ASN A 67 1.919 2.745 2.600 1.00 0.00 O ATOM 990 ND2 ASN A 67 2.286 3.651 4.546 1.00 0.00 N ATOM 0 H ASN A 67 6.187 1.678 5.905 1.00 0.00 H new ATOM 0 HA ASN A 67 3.368 2.127 5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.711 2.431 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.709 0.994 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.453 4.233 4.452 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.864 3.719 5.384 1.00 0.00 H new ATOM 997 N HIS A 68 5.461 -0.345 5.233 1.00 0.00 N ATOM 998 CA HIS A 68 5.670 -1.791 5.467 1.00 0.00 C ATOM 999 C HIS A 68 7.092 -2.183 5.063 1.00 0.00 C ATOM 1000 O HIS A 68 7.887 -2.443 5.951 1.00 0.00 O ATOM 1001 CB HIS A 68 4.657 -2.591 4.652 1.00 0.00 C ATOM 1002 CG HIS A 68 4.615 -2.082 3.236 1.00 0.00 C ATOM 1003 ND1 HIS A 68 4.153 -2.871 2.195 1.00 0.00 N ATOM 1004 CD2 HIS A 68 4.959 -0.872 2.666 1.00 0.00 C ATOM 1005 CE1 HIS A 68 4.227 -2.142 1.068 1.00 0.00 C ATOM 1006 NE2 HIS A 68 4.710 -0.921 1.299 1.00 0.00 N ATOM 1007 OXT HIS A 68 7.360 -2.223 3.874 1.00 0.00 O ATOM 0 H HIS A 68 6.275 0.158 4.880 1.00 0.00 H new ATOM 0 HA HIS A 68 5.532 -2.009 6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.926 -3.647 4.659 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.669 -2.510 5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.359 -0.022 3.198 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.931 -2.502 0.094 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.864 -0.179 0.616 1.00 0.00 H new TER 1015 HIS A 68