USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 604 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 50 ASN : amide:sc= 0.363 K(o=-1.3,f=-11!) USER MOD Set 1.2: A 58 THR OG1 : rot -100:sc= -1.66 USER MOD Set 2.1: A 17 CYS SG : rot 180:sc= -0.952 USER MOD Set 2.2: A 21 LYS NZ :NH3+ 137:sc= 1.62 (180deg=-0.196) USER MOD Set 3.1: A 9 TYR OH : rot 0:sc= 0.453 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -162:sc= 0.503 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 130:sc= -0.123 USER MOD Single : A 11 THR OG1 : rot -48:sc= -1.66! USER MOD Single : A 12 SER OG : rot 180:sc= 0.0881 USER MOD Single : A 14 CYS SG : rot 94:sc= -2.7! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 25 THR OG1 : rot 79:sc= 0.282 USER MOD Single : A 27 ASN : amide:sc= 0.27 X(o=0.27,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 39 ASN : amide:sc= -0.0193 K(o=-0.019,f=-0.78) USER MOD Single : A 48 SER OG : rot 70:sc= 0.26 USER MOD Single : A 53 ASN : amide:sc= -1.49! C(o=-1.5!,f=-7.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 140:sc= -0.523 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00943 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 69 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.2!) USER MOD Single : A 71 SER OG : rot 97:sc= 1.23 USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= -0.631 (180deg=-2.46!) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= -0.556 (180deg=-0.659) USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= -0.0553 (180deg=-0.476) USER MOD ----------------------------------------------------------------- ATOM 50 N ALA A 4 5.871 6.464 8.500 1.00 0.00 N ATOM 51 CA ALA A 4 4.828 5.922 7.692 1.00 0.00 C ATOM 52 C ALA A 4 5.485 5.529 6.399 1.00 0.00 C ATOM 53 O ALA A 4 6.058 6.381 5.711 1.00 0.00 O ATOM 54 CB ALA A 4 3.731 6.950 7.451 1.00 0.00 C ATOM 0 HA ALA A 4 4.348 5.072 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.949 6.510 6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.307 7.260 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.151 7.818 6.942 1.00 0.00 H new ATOM 60 N ALA A 5 5.479 4.272 6.108 1.00 0.00 N ATOM 61 CA ALA A 5 6.167 3.775 4.934 1.00 0.00 C ATOM 62 C ALA A 5 5.263 3.886 3.728 1.00 0.00 C ATOM 63 O ALA A 5 5.535 4.645 2.780 1.00 0.00 O ATOM 64 CB ALA A 5 6.606 2.340 5.170 1.00 0.00 C ATOM 0 H ALA A 5 5.007 3.556 6.661 1.00 0.00 H new ATOM 0 HA ALA A 5 7.057 4.375 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.123 1.968 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.278 2.301 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.732 1.720 5.367 1.00 0.00 H new ATOM 70 N LEU A 6 4.189 3.159 3.780 1.00 0.00 N ATOM 71 CA LEU A 6 3.190 3.179 2.769 1.00 0.00 C ATOM 72 C LEU A 6 1.894 2.766 3.381 1.00 0.00 C ATOM 73 O LEU A 6 1.843 1.808 4.148 1.00 0.00 O ATOM 74 CB LEU A 6 3.578 2.383 1.456 1.00 0.00 C ATOM 75 CG LEU A 6 3.888 0.851 1.483 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.938 0.444 2.489 1.00 0.00 C ATOM 77 CD2 LEU A 6 2.643 0.013 1.584 1.00 0.00 C ATOM 0 H LEU A 6 3.983 2.521 4.549 1.00 0.00 H new ATOM 0 HA LEU A 6 3.089 4.197 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.763 2.527 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.456 2.875 1.037 1.00 0.00 H new ATOM 0 HG LEU A 6 4.337 0.643 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.090 -0.634 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.875 0.953 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.608 0.719 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.915 -1.042 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.109 0.263 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.001 0.210 0.725 1.00 0.00 H new ATOM 89 N THR A 7 0.877 3.505 3.098 1.00 0.00 N ATOM 90 CA THR A 7 -0.384 3.308 3.711 1.00 0.00 C ATOM 91 C THR A 7 -1.334 2.599 2.770 1.00 0.00 C ATOM 92 O THR A 7 -1.578 3.043 1.651 1.00 0.00 O ATOM 93 CB THR A 7 -0.976 4.653 4.146 1.00 0.00 C ATOM 94 OG1 THR A 7 0.031 5.395 4.883 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.184 4.432 5.043 1.00 0.00 C ATOM 0 H THR A 7 0.902 4.272 2.426 1.00 0.00 H new ATOM 0 HA THR A 7 -0.243 2.682 4.592 1.00 0.00 H new ATOM 0 HB THR A 7 -1.286 5.209 3.262 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.339 6.258 5.164 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.594 5.396 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.942 3.869 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.882 3.873 5.929 1.00 0.00 H new ATOM 103 N ILE A 8 -1.822 1.501 3.236 1.00 0.00 N ATOM 104 CA ILE A 8 -2.735 0.661 2.548 1.00 0.00 C ATOM 105 C ILE A 8 -4.166 1.096 2.833 1.00 0.00 C ATOM 106 O ILE A 8 -4.572 1.235 4.001 1.00 0.00 O ATOM 107 CB ILE A 8 -2.537 -0.804 3.021 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.170 -1.345 2.594 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.664 -1.700 2.559 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.866 -2.728 3.123 1.00 0.00 C ATOM 0 H ILE A 8 -1.579 1.147 4.161 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.550 0.733 1.476 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.562 -0.801 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.122 -1.364 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.396 -0.658 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.488 -2.717 2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.608 -1.335 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.709 -1.695 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.119 -3.041 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.880 -2.712 4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.618 -3.429 2.761 1.00 0.00 H new ATOM 122 N TYR A 9 -4.895 1.339 1.779 1.00 0.00 N ATOM 123 CA TYR A 9 -6.296 1.643 1.863 1.00 0.00 C ATOM 124 C TYR A 9 -7.100 0.413 1.548 1.00 0.00 C ATOM 125 O TYR A 9 -7.067 -0.081 0.414 1.00 0.00 O ATOM 126 CB TYR A 9 -6.686 2.772 0.913 1.00 0.00 C ATOM 127 CG TYR A 9 -6.097 4.107 1.260 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.463 4.752 2.428 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.195 4.736 0.417 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.946 5.982 2.753 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.672 5.969 0.737 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.052 6.587 1.907 1.00 0.00 C ATOM 133 OH TYR A 9 -4.541 7.822 2.228 1.00 0.00 O ATOM 0 H TYR A 9 -4.529 1.331 0.827 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.507 1.974 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.376 2.504 -0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.772 2.860 0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.168 4.280 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.898 4.253 -0.502 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.242 6.470 3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.967 6.449 0.074 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.918 8.120 3.082 1.00 0.00 H new ATOM 143 N THR A 10 -7.764 -0.109 2.547 1.00 0.00 N ATOM 144 CA THR A 10 -8.601 -1.255 2.388 1.00 0.00 C ATOM 145 C THR A 10 -9.522 -1.372 3.613 1.00 0.00 C ATOM 146 O THR A 10 -9.318 -0.684 4.627 1.00 0.00 O ATOM 147 CB THR A 10 -7.750 -2.574 2.221 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.598 -3.689 1.892 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.984 -2.891 3.506 1.00 0.00 C ATOM 0 H THR A 10 -7.734 0.257 3.499 1.00 0.00 H new ATOM 0 HA THR A 10 -9.195 -1.132 1.482 1.00 0.00 H new ATOM 0 HB THR A 10 -7.041 -2.408 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.234 -4.158 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.404 -3.804 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.311 -2.066 3.742 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.689 -3.029 4.325 1.00 0.00 H new ATOM 157 N THR A 11 -10.508 -2.212 3.489 1.00 0.00 N ATOM 158 CA THR A 11 -11.388 -2.588 4.543 1.00 0.00 C ATOM 159 C THR A 11 -11.616 -4.089 4.412 1.00 0.00 C ATOM 160 O THR A 11 -11.381 -4.651 3.329 1.00 0.00 O ATOM 161 CB THR A 11 -12.719 -1.750 4.543 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.401 -0.416 4.895 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.754 -2.256 5.552 1.00 0.00 C ATOM 0 H THR A 11 -10.726 -2.672 2.605 1.00 0.00 H new ATOM 0 HA THR A 11 -10.944 -2.367 5.514 1.00 0.00 H new ATOM 0 HB THR A 11 -13.153 -1.837 3.547 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.829 -0.415 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.647 -1.634 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.016 -3.288 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.336 -2.207 6.557 1.00 0.00 H new ATOM 171 N SER A 12 -12.012 -4.717 5.494 1.00 0.00 N ATOM 172 CA SER A 12 -12.250 -6.142 5.643 1.00 0.00 C ATOM 173 C SER A 12 -13.089 -6.799 4.491 1.00 0.00 C ATOM 174 O SER A 12 -13.066 -8.018 4.324 1.00 0.00 O ATOM 175 CB SER A 12 -12.976 -6.279 6.952 1.00 0.00 C ATOM 176 OG SER A 12 -12.326 -5.490 7.956 1.00 0.00 O ATOM 0 H SER A 12 -12.191 -4.211 6.361 1.00 0.00 H new ATOM 0 HA SER A 12 -11.296 -6.668 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.011 -5.958 6.839 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.998 -7.325 7.257 1.00 0.00 H new ATOM 0 HG SER A 12 -12.805 -5.583 8.806 1.00 0.00 H new ATOM 182 N TRP A 13 -13.798 -5.993 3.698 1.00 0.00 N ATOM 183 CA TRP A 13 -14.607 -6.519 2.601 1.00 0.00 C ATOM 184 C TRP A 13 -13.748 -6.900 1.386 1.00 0.00 C ATOM 185 O TRP A 13 -14.211 -7.599 0.476 1.00 0.00 O ATOM 186 CB TRP A 13 -15.728 -5.527 2.188 1.00 0.00 C ATOM 187 CG TRP A 13 -15.256 -4.144 1.792 1.00 0.00 C ATOM 188 CD1 TRP A 13 -15.299 -3.029 2.564 1.00 0.00 C ATOM 189 CD2 TRP A 13 -14.691 -3.731 0.528 1.00 0.00 C ATOM 190 NE1 TRP A 13 -14.783 -1.958 1.883 1.00 0.00 N ATOM 191 CE2 TRP A 13 -14.406 -2.360 0.632 1.00 0.00 C ATOM 192 CE3 TRP A 13 -14.395 -4.387 -0.672 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -13.841 -1.636 -0.410 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -13.834 -3.666 -1.704 1.00 0.00 C ATOM 195 CH2 TRP A 13 -13.562 -2.302 -1.566 1.00 0.00 C ATOM 0 H TRP A 13 -13.827 -4.978 3.796 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.081 -7.428 2.972 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.281 -5.957 1.353 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.428 -5.430 3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -15.685 -2.991 3.572 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -14.694 -1.011 2.251 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.603 -5.441 -0.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.630 -0.582 -0.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.601 -4.163 -2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -13.122 -1.764 -2.393 1.00 0.00 H new ATOM 206 N CYS A 14 -12.514 -6.440 1.360 1.00 0.00 N ATOM 207 CA CYS A 14 -11.662 -6.716 0.237 1.00 0.00 C ATOM 208 C CYS A 14 -10.854 -7.980 0.484 1.00 0.00 C ATOM 209 O CYS A 14 -10.090 -8.064 1.452 1.00 0.00 O ATOM 210 CB CYS A 14 -10.745 -5.530 -0.076 1.00 0.00 C ATOM 211 SG CYS A 14 -9.787 -5.723 -1.601 1.00 0.00 S ATOM 0 H CYS A 14 -12.088 -5.880 2.098 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.295 -6.875 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.350 -4.626 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.057 -5.386 0.757 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.422 -5.161 -2.586 1.00 0.00 H new ATOM 217 N GLY A 15 -11.026 -8.947 -0.393 1.00 0.00 N ATOM 218 CA GLY A 15 -10.335 -10.212 -0.286 1.00 0.00 C ATOM 219 C GLY A 15 -8.857 -10.087 -0.582 1.00 0.00 C ATOM 220 O GLY A 15 -8.044 -10.811 -0.021 1.00 0.00 O ATOM 0 H GLY A 15 -11.648 -8.877 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.469 -10.613 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.782 -10.927 -0.977 1.00 0.00 H new ATOM 224 N TYR A 16 -8.489 -9.148 -1.438 1.00 0.00 N ATOM 225 CA TYR A 16 -7.079 -8.953 -1.754 1.00 0.00 C ATOM 226 C TYR A 16 -6.295 -8.353 -0.614 1.00 0.00 C ATOM 227 O TYR A 16 -5.065 -8.353 -0.650 1.00 0.00 O ATOM 228 CB TYR A 16 -6.850 -8.162 -3.034 1.00 0.00 C ATOM 229 CG TYR A 16 -7.181 -8.921 -4.284 1.00 0.00 C ATOM 230 CD1 TYR A 16 -6.787 -10.247 -4.437 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.883 -8.324 -5.315 1.00 0.00 C ATOM 232 CE1 TYR A 16 -7.085 -10.943 -5.574 1.00 0.00 C ATOM 233 CE2 TYR A 16 -8.185 -9.021 -6.463 1.00 0.00 C ATOM 234 CZ TYR A 16 -7.781 -10.330 -6.585 1.00 0.00 C ATOM 235 OH TYR A 16 -8.079 -11.034 -7.721 1.00 0.00 O ATOM 0 H TYR A 16 -9.131 -8.518 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.698 -9.960 -1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.453 -7.254 -3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.806 -7.850 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.237 -10.733 -3.645 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.199 -7.296 -5.218 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.774 -11.972 -5.677 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.734 -8.544 -7.261 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.576 -10.460 -8.341 1.00 0.00 H new ATOM 245 N CYS A 17 -6.996 -7.869 0.400 1.00 0.00 N ATOM 246 CA CYS A 17 -6.367 -7.294 1.562 1.00 0.00 C ATOM 247 C CYS A 17 -5.398 -8.281 2.184 1.00 0.00 C ATOM 248 O CYS A 17 -4.203 -8.011 2.299 1.00 0.00 O ATOM 249 CB CYS A 17 -7.413 -6.882 2.594 1.00 0.00 C ATOM 250 SG CYS A 17 -6.712 -6.282 4.139 1.00 0.00 S ATOM 0 H CYS A 17 -8.015 -7.867 0.433 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.818 -6.408 1.244 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.045 -6.104 2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.057 -7.735 2.805 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.672 -5.954 4.952 1.00 0.00 H new ATOM 256 N LEU A 18 -5.901 -9.448 2.499 1.00 0.00 N ATOM 257 CA LEU A 18 -5.127 -10.457 3.172 1.00 0.00 C ATOM 258 C LEU A 18 -4.031 -11.073 2.296 1.00 0.00 C ATOM 259 O LEU A 18 -3.005 -11.528 2.809 1.00 0.00 O ATOM 260 CB LEU A 18 -6.048 -11.489 3.840 1.00 0.00 C ATOM 261 CG LEU A 18 -7.200 -12.056 3.002 1.00 0.00 C ATOM 262 CD1 LEU A 18 -6.713 -12.974 1.908 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.206 -12.744 3.885 1.00 0.00 C ATOM 0 H LEU A 18 -6.861 -9.725 2.295 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.570 -9.965 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.432 -12.324 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.475 -11.031 4.733 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.690 -11.216 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.565 -13.350 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.049 -12.425 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.173 -13.811 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.016 -13.140 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.722 -13.561 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.609 -12.029 4.603 1.00 0.00 H new ATOM 275 N ARG A 19 -4.220 -11.050 0.980 1.00 0.00 N ATOM 276 CA ARG A 19 -3.195 -11.555 0.080 1.00 0.00 C ATOM 277 C ARG A 19 -2.021 -10.603 0.089 1.00 0.00 C ATOM 278 O ARG A 19 -0.863 -11.013 0.222 1.00 0.00 O ATOM 279 CB ARG A 19 -3.719 -11.754 -1.346 1.00 0.00 C ATOM 280 CG ARG A 19 -4.802 -12.830 -1.482 1.00 0.00 C ATOM 281 CD ARG A 19 -4.333 -14.189 -0.937 1.00 0.00 C ATOM 282 NE ARG A 19 -3.102 -14.677 -1.589 1.00 0.00 N ATOM 283 CZ ARG A 19 -2.364 -15.737 -1.181 1.00 0.00 C ATOM 284 NH1 ARG A 19 -2.649 -16.368 -0.048 1.00 0.00 N ATOM 285 NH2 ARG A 19 -1.327 -16.130 -1.892 1.00 0.00 N ATOM 0 H ARG A 19 -5.059 -10.693 0.522 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.882 -12.537 0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.119 -10.807 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.882 -12.015 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.697 -12.514 -0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.079 -12.936 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.160 -14.104 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.127 -14.923 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.780 -14.174 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.432 -16.056 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.085 -17.165 0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.080 -15.636 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.771 -16.928 -1.585 1.00 0.00 H new ATOM 299 N LEU A 20 -2.343 -9.325 0.017 1.00 0.00 N ATOM 300 CA LEU A 20 -1.365 -8.269 0.063 1.00 0.00 C ATOM 301 C LEU A 20 -0.608 -8.282 1.398 1.00 0.00 C ATOM 302 O LEU A 20 0.625 -8.181 1.418 1.00 0.00 O ATOM 303 CB LEU A 20 -2.053 -6.922 -0.158 1.00 0.00 C ATOM 304 CG LEU A 20 -1.195 -5.685 0.042 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.033 -5.641 -0.949 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.040 -4.441 -0.056 1.00 0.00 C ATOM 0 H LEU A 20 -3.303 -8.994 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.636 -8.429 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.449 -6.903 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.906 -6.859 0.518 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.763 -5.732 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.559 -4.742 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.595 -6.521 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.423 -5.628 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.412 -3.562 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.507 -4.395 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.813 -4.465 0.712 1.00 0.00 H new ATOM 318 N LYS A 21 -1.350 -8.432 2.503 1.00 0.00 N ATOM 319 CA LYS A 21 -0.747 -8.489 3.843 1.00 0.00 C ATOM 320 C LYS A 21 0.299 -9.599 3.904 1.00 0.00 C ATOM 321 O LYS A 21 1.441 -9.368 4.303 1.00 0.00 O ATOM 322 CB LYS A 21 -1.808 -8.744 4.928 1.00 0.00 C ATOM 323 CG LYS A 21 -2.929 -7.711 5.019 1.00 0.00 C ATOM 324 CD LYS A 21 -2.420 -6.317 5.330 1.00 0.00 C ATOM 325 CE LYS A 21 -3.564 -5.311 5.460 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.509 -5.662 6.548 1.00 0.00 N ATOM 0 H LYS A 21 -2.367 -8.516 2.497 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.278 -7.523 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.255 -9.722 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.307 -8.794 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.476 -7.691 4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.636 -8.015 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.847 -6.338 6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.740 -5.994 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.152 -4.319 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.106 -5.258 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.757 -4.805 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.370 -6.077 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.063 -6.351 7.187 1.00 0.00 H new ATOM 340 N THR A 22 -0.097 -10.782 3.448 1.00 0.00 N ATOM 341 CA THR A 22 0.756 -11.952 3.450 1.00 0.00 C ATOM 342 C THR A 22 2.031 -11.707 2.621 1.00 0.00 C ATOM 343 O THR A 22 3.142 -12.024 3.062 1.00 0.00 O ATOM 344 CB THR A 22 -0.019 -13.173 2.890 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.233 -13.352 3.647 1.00 0.00 O ATOM 346 CG2 THR A 22 0.815 -14.449 2.978 1.00 0.00 C ATOM 0 H THR A 22 -1.027 -10.951 3.065 1.00 0.00 H new ATOM 0 HA THR A 22 1.054 -12.157 4.478 1.00 0.00 H new ATOM 0 HB THR A 22 -0.246 -12.981 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.950 -12.819 3.246 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.243 -15.286 2.577 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.731 -14.326 2.400 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.067 -14.648 4.020 1.00 0.00 H new ATOM 354 N ALA A 23 1.863 -11.102 1.452 1.00 0.00 N ATOM 355 CA ALA A 23 2.974 -10.824 0.560 1.00 0.00 C ATOM 356 C ALA A 23 3.966 -9.851 1.195 1.00 0.00 C ATOM 357 O ALA A 23 5.195 -10.040 1.093 1.00 0.00 O ATOM 358 CB ALA A 23 2.466 -10.284 -0.769 1.00 0.00 C ATOM 0 H ALA A 23 0.957 -10.793 1.100 1.00 0.00 H new ATOM 0 HA ALA A 23 3.500 -11.761 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.311 -10.081 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.813 -11.021 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.909 -9.363 -0.598 1.00 0.00 H new ATOM 364 N LEU A 24 3.445 -8.830 1.869 1.00 0.00 N ATOM 365 CA LEU A 24 4.296 -7.828 2.498 1.00 0.00 C ATOM 366 C LEU A 24 5.009 -8.388 3.703 1.00 0.00 C ATOM 367 O LEU A 24 6.213 -8.198 3.840 1.00 0.00 O ATOM 368 CB LEU A 24 3.539 -6.551 2.884 1.00 0.00 C ATOM 369 CG LEU A 24 2.817 -5.768 1.777 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.281 -4.468 2.331 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.707 -5.487 0.583 1.00 0.00 C ATOM 0 H LEU A 24 2.444 -8.676 1.993 1.00 0.00 H new ATOM 0 HA LEU A 24 5.033 -7.552 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.799 -6.819 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.249 -5.875 3.360 1.00 0.00 H new ATOM 0 HG LEU A 24 1.996 -6.394 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.770 -3.918 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.579 -4.678 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.106 -3.868 2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.144 -4.932 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.567 -4.898 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.050 -6.429 0.155 1.00 0.00 H new ATOM 383 N THR A 25 4.282 -9.087 4.558 1.00 0.00 N ATOM 384 CA THR A 25 4.861 -9.685 5.744 1.00 0.00 C ATOM 385 C THR A 25 5.963 -10.696 5.367 1.00 0.00 C ATOM 386 O THR A 25 7.012 -10.736 6.002 1.00 0.00 O ATOM 387 CB THR A 25 3.760 -10.336 6.627 1.00 0.00 C ATOM 388 OG1 THR A 25 2.812 -9.317 7.005 1.00 0.00 O ATOM 389 CG2 THR A 25 4.341 -10.959 7.894 1.00 0.00 C ATOM 0 H THR A 25 3.282 -9.254 4.449 1.00 0.00 H new ATOM 0 HA THR A 25 5.330 -8.897 6.333 1.00 0.00 H new ATOM 0 HB THR A 25 3.284 -11.128 6.049 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.201 -9.145 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.538 -11.403 8.482 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.061 -11.731 7.623 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.839 -10.189 8.483 1.00 0.00 H new ATOM 397 N ALA A 26 5.748 -11.431 4.279 1.00 0.00 N ATOM 398 CA ALA A 26 6.713 -12.415 3.790 1.00 0.00 C ATOM 399 C ALA A 26 8.031 -11.766 3.372 1.00 0.00 C ATOM 400 O ALA A 26 9.100 -12.329 3.569 1.00 0.00 O ATOM 401 CB ALA A 26 6.132 -13.186 2.620 1.00 0.00 C ATOM 0 H ALA A 26 4.903 -11.363 3.712 1.00 0.00 H new ATOM 0 HA ALA A 26 6.922 -13.098 4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.861 -13.915 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.227 -13.703 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.889 -12.495 1.813 1.00 0.00 H new ATOM 407 N ASN A 27 7.949 -10.579 2.798 1.00 0.00 N ATOM 408 CA ASN A 27 9.147 -9.866 2.330 1.00 0.00 C ATOM 409 C ASN A 27 9.576 -8.811 3.325 1.00 0.00 C ATOM 410 O ASN A 27 10.451 -7.992 3.050 1.00 0.00 O ATOM 411 CB ASN A 27 8.941 -9.263 0.935 1.00 0.00 C ATOM 412 CG ASN A 27 8.939 -10.292 -0.180 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.986 -10.581 -0.788 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.790 -10.856 -0.464 1.00 0.00 N ATOM 0 H ASN A 27 7.073 -10.081 2.640 1.00 0.00 H new ATOM 0 HA ASN A 27 9.951 -10.598 2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.995 -8.721 0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.729 -8.535 0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.735 -11.556 -1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.952 -10.595 0.055 1.00 0.00 H new ATOM 421 N ARG A 28 8.927 -8.848 4.485 1.00 0.00 N ATOM 422 CA ARG A 28 9.236 -8.018 5.650 1.00 0.00 C ATOM 423 C ARG A 28 9.032 -6.511 5.399 1.00 0.00 C ATOM 424 O ARG A 28 9.744 -5.682 5.964 1.00 0.00 O ATOM 425 CB ARG A 28 10.664 -8.315 6.166 1.00 0.00 C ATOM 426 CG ARG A 28 10.933 -9.800 6.438 1.00 0.00 C ATOM 427 CD ARG A 28 9.919 -10.400 7.406 1.00 0.00 C ATOM 428 NE ARG A 28 10.135 -11.838 7.613 1.00 0.00 N ATOM 429 CZ ARG A 28 9.197 -12.710 8.019 1.00 0.00 C ATOM 430 NH1 ARG A 28 7.930 -12.340 8.122 1.00 0.00 N ATOM 431 NH2 ARG A 28 9.523 -13.964 8.270 1.00 0.00 N ATOM 0 H ARG A 28 8.142 -9.479 4.648 1.00 0.00 H new ATOM 0 HA ARG A 28 8.518 -8.289 6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.386 -7.954 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.832 -7.752 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.906 -10.351 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.937 -9.917 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.983 -9.883 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.912 -10.237 7.022 1.00 0.00 H new ATOM 0 HE ARG A 28 11.070 -12.203 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.657 -11.384 7.892 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.226 -13.011 8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.488 -14.273 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.809 -14.625 8.578 1.00 0.00 H new ATOM 445 N ILE A 29 8.031 -6.157 4.609 1.00 0.00 N ATOM 446 CA ILE A 29 7.725 -4.741 4.385 1.00 0.00 C ATOM 447 C ILE A 29 6.953 -4.187 5.573 1.00 0.00 C ATOM 448 O ILE A 29 5.936 -4.760 5.990 1.00 0.00 O ATOM 449 CB ILE A 29 6.896 -4.433 3.063 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.697 -4.664 1.784 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.335 -3.016 3.053 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.868 -6.088 1.403 1.00 0.00 C ATOM 0 H ILE A 29 7.423 -6.812 4.117 1.00 0.00 H new ATOM 0 HA ILE A 29 8.695 -4.258 4.264 1.00 0.00 H new ATOM 0 HB ILE A 29 6.071 -5.145 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.205 -4.140 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.683 -4.214 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.777 -2.852 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.672 -2.881 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.154 -2.300 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.449 -6.151 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 29 8.391 -6.618 2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.890 -6.543 1.246 1.00 0.00 H new ATOM 464 N ALA A 30 7.455 -3.117 6.135 1.00 0.00 N ATOM 465 CA ALA A 30 6.752 -2.401 7.165 1.00 0.00 C ATOM 466 C ALA A 30 5.680 -1.581 6.473 1.00 0.00 C ATOM 467 O ALA A 30 5.987 -0.811 5.571 1.00 0.00 O ATOM 468 CB ALA A 30 7.716 -1.496 7.912 1.00 0.00 C ATOM 0 H ALA A 30 8.362 -2.719 5.891 1.00 0.00 H new ATOM 0 HA ALA A 30 6.307 -3.082 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.178 -0.956 8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.503 -2.098 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.159 -0.783 7.216 1.00 0.00 H new ATOM 474 N TYR A 31 4.449 -1.759 6.852 1.00 0.00 N ATOM 475 CA TYR A 31 3.372 -1.088 6.171 1.00 0.00 C ATOM 476 C TYR A 31 2.438 -0.417 7.137 1.00 0.00 C ATOM 477 O TYR A 31 2.427 -0.715 8.331 1.00 0.00 O ATOM 478 CB TYR A 31 2.600 -2.053 5.243 1.00 0.00 C ATOM 479 CG TYR A 31 1.907 -3.231 5.925 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.614 -3.107 6.421 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.534 -4.466 6.043 1.00 0.00 C ATOM 482 CE1 TYR A 31 -0.028 -4.168 7.015 1.00 0.00 C ATOM 483 CE2 TYR A 31 1.889 -5.542 6.634 1.00 0.00 C ATOM 484 CZ TYR A 31 0.607 -5.384 7.119 1.00 0.00 C ATOM 485 OH TYR A 31 -0.053 -6.448 7.699 1.00 0.00 O ATOM 0 H TYR A 31 4.162 -2.360 7.625 1.00 0.00 H new ATOM 0 HA TYR A 31 3.822 -0.313 5.550 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.848 -1.480 4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.296 -2.447 4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.104 -2.159 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.539 -4.589 5.668 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.030 -4.047 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.387 -6.497 6.714 1.00 0.00 H new ATOM 0 HH TYR A 31 0.530 -7.236 7.696 1.00 0.00 H new ATOM 495 N ASP A 32 1.687 0.490 6.617 1.00 0.00 N ATOM 496 CA ASP A 32 0.696 1.232 7.343 1.00 0.00 C ATOM 497 C ASP A 32 -0.632 0.930 6.714 1.00 0.00 C ATOM 498 O ASP A 32 -0.699 0.749 5.515 1.00 0.00 O ATOM 499 CB ASP A 32 0.980 2.742 7.239 1.00 0.00 C ATOM 500 CG ASP A 32 2.112 3.224 8.118 1.00 0.00 C ATOM 501 OD1 ASP A 32 3.296 3.122 7.724 1.00 0.00 O ATOM 502 OD2 ASP A 32 1.825 3.729 9.235 1.00 0.00 O ATOM 0 H ASP A 32 1.743 0.752 5.633 1.00 0.00 H new ATOM 0 HA ASP A 32 0.707 0.954 8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.212 2.986 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.074 3.289 7.500 1.00 0.00 H new ATOM 507 N GLU A 33 -1.667 0.819 7.486 1.00 0.00 N ATOM 508 CA GLU A 33 -2.982 0.570 6.934 1.00 0.00 C ATOM 509 C GLU A 33 -4.002 1.410 7.672 1.00 0.00 C ATOM 510 O GLU A 33 -3.896 1.612 8.893 1.00 0.00 O ATOM 511 CB GLU A 33 -3.350 -0.928 7.017 1.00 0.00 C ATOM 512 CG GLU A 33 -3.478 -1.486 8.422 1.00 0.00 C ATOM 513 CD GLU A 33 -3.857 -2.936 8.420 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.969 -3.280 7.947 1.00 0.00 O ATOM 515 OE2 GLU A 33 -3.047 -3.774 8.868 1.00 0.00 O ATOM 0 H GLU A 33 -1.638 0.895 8.503 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.978 0.847 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.294 -1.083 6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.592 -1.502 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.533 -1.360 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.228 -0.916 8.971 1.00 0.00 H new ATOM 522 N VAL A 34 -4.947 1.924 6.962 1.00 0.00 N ATOM 523 CA VAL A 34 -6.003 2.681 7.563 1.00 0.00 C ATOM 524 C VAL A 34 -7.295 2.272 6.899 1.00 0.00 C ATOM 525 O VAL A 34 -7.300 1.952 5.699 1.00 0.00 O ATOM 526 CB VAL A 34 -5.756 4.232 7.500 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.685 4.760 6.084 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.795 4.990 8.297 1.00 0.00 C ATOM 0 H VAL A 34 -5.014 1.834 5.948 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.049 2.459 8.629 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.779 4.400 7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.513 5.836 6.105 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.867 4.272 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.624 4.553 5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.594 6.059 8.232 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.786 4.781 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.754 4.676 9.340 1.00 0.00 H new ATOM 538 N ASP A 35 -8.363 2.208 7.659 1.00 0.00 N ATOM 539 CA ASP A 35 -9.607 1.740 7.114 1.00 0.00 C ATOM 540 C ASP A 35 -10.266 2.844 6.297 1.00 0.00 C ATOM 541 O ASP A 35 -10.264 4.027 6.690 1.00 0.00 O ATOM 542 CB ASP A 35 -10.514 1.289 8.257 1.00 0.00 C ATOM 543 CG ASP A 35 -11.784 0.660 7.782 1.00 0.00 C ATOM 544 OD1 ASP A 35 -11.783 -0.557 7.500 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.799 1.346 7.696 1.00 0.00 O ATOM 0 H ASP A 35 -8.393 2.471 8.644 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.427 0.894 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.975 0.578 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.753 2.148 8.884 1.00 0.00 H new ATOM 550 N ILE A 36 -10.846 2.458 5.191 1.00 0.00 N ATOM 551 CA ILE A 36 -11.467 3.396 4.272 1.00 0.00 C ATOM 552 C ILE A 36 -12.875 3.749 4.683 1.00 0.00 C ATOM 553 O ILE A 36 -13.357 4.823 4.390 1.00 0.00 O ATOM 554 CB ILE A 36 -11.437 2.878 2.821 1.00 0.00 C ATOM 555 CG1 ILE A 36 -12.133 1.526 2.744 1.00 0.00 C ATOM 556 CG2 ILE A 36 -10.001 2.788 2.342 1.00 0.00 C ATOM 557 CD1 ILE A 36 -12.148 0.869 1.406 1.00 0.00 C ATOM 0 H ILE A 36 -10.905 1.484 4.895 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.873 4.309 4.317 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.970 3.570 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.651 0.852 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.164 1.652 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.982 2.421 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.541 3.775 2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.446 2.102 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.670 -0.085 1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.661 1.512 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.124 0.699 1.072 1.00 0.00 H new ATOM 569 N GLU A 37 -13.526 2.853 5.381 1.00 0.00 N ATOM 570 CA GLU A 37 -14.875 3.087 5.785 1.00 0.00 C ATOM 571 C GLU A 37 -14.862 4.057 6.971 1.00 0.00 C ATOM 572 O GLU A 37 -15.826 4.796 7.225 1.00 0.00 O ATOM 573 CB GLU A 37 -15.568 1.751 6.102 1.00 0.00 C ATOM 574 CG GLU A 37 -17.057 1.852 6.389 1.00 0.00 C ATOM 575 CD GLU A 37 -17.794 2.629 5.323 1.00 0.00 C ATOM 576 OE1 GLU A 37 -17.497 2.461 4.115 1.00 0.00 O ATOM 577 OE2 GLU A 37 -18.673 3.444 5.670 1.00 0.00 O ATOM 0 H GLU A 37 -13.138 1.958 5.678 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.453 3.546 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -15.421 1.074 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.077 1.300 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.480 0.850 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.207 2.333 7.356 1.00 0.00 H new ATOM 584 N HIS A 38 -13.747 4.051 7.677 1.00 0.00 N ATOM 585 CA HIS A 38 -13.487 4.987 8.750 1.00 0.00 C ATOM 586 C HIS A 38 -13.249 6.392 8.174 1.00 0.00 C ATOM 587 O HIS A 38 -13.839 7.371 8.632 1.00 0.00 O ATOM 588 CB HIS A 38 -12.257 4.529 9.567 1.00 0.00 C ATOM 589 CG HIS A 38 -11.871 5.462 10.686 1.00 0.00 C ATOM 590 ND1 HIS A 38 -10.720 6.230 10.699 1.00 0.00 N ATOM 591 CD2 HIS A 38 -12.507 5.734 11.844 1.00 0.00 C ATOM 592 CE1 HIS A 38 -10.702 6.926 11.836 1.00 0.00 C ATOM 593 NE2 HIS A 38 -11.765 6.662 12.570 1.00 0.00 N ATOM 0 H HIS A 38 -12.989 3.388 7.518 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.353 5.019 9.411 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.461 3.543 9.986 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -11.408 4.419 8.892 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.445 5.300 12.159 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.920 7.615 12.119 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.996 7.056 13.482 1.00 0.00 H new ATOM 601 N ASN A 39 -12.389 6.485 7.182 1.00 0.00 N ATOM 602 CA ASN A 39 -12.079 7.773 6.570 1.00 0.00 C ATOM 603 C ASN A 39 -12.801 7.926 5.255 1.00 0.00 C ATOM 604 O ASN A 39 -12.338 7.438 4.221 1.00 0.00 O ATOM 605 CB ASN A 39 -10.567 7.979 6.377 1.00 0.00 C ATOM 606 CG ASN A 39 -9.794 8.160 7.666 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.312 8.646 8.666 1.00 0.00 O ATOM 608 ND2 ASN A 39 -8.548 7.787 7.653 1.00 0.00 N ATOM 0 H ASN A 39 -11.891 5.692 6.779 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.426 8.544 7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.161 7.121 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.409 8.854 5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.974 7.896 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.145 7.386 6.806 1.00 0.00 H new ATOM 615 N ARG A 40 -13.924 8.616 5.300 1.00 0.00 N ATOM 616 CA ARG A 40 -14.817 8.804 4.153 1.00 0.00 C ATOM 617 C ARG A 40 -14.091 9.431 2.954 1.00 0.00 C ATOM 618 O ARG A 40 -14.304 9.022 1.802 1.00 0.00 O ATOM 619 CB ARG A 40 -15.989 9.690 4.560 1.00 0.00 C ATOM 620 CG ARG A 40 -17.144 9.752 3.568 1.00 0.00 C ATOM 621 CD ARG A 40 -18.049 8.511 3.613 1.00 0.00 C ATOM 622 NE ARG A 40 -17.378 7.272 3.183 1.00 0.00 N ATOM 623 CZ ARG A 40 -17.527 6.073 3.767 1.00 0.00 C ATOM 624 NH1 ARG A 40 -18.179 5.955 4.911 1.00 0.00 N ATOM 625 NH2 ARG A 40 -17.004 4.995 3.206 1.00 0.00 N ATOM 0 H ARG A 40 -14.256 9.075 6.149 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.175 7.821 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.374 9.336 5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.617 10.702 4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.744 10.639 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.743 9.865 2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.419 8.379 4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.918 8.683 2.977 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.752 7.330 2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -18.575 6.781 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.286 5.038 5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.488 5.075 2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.117 4.083 3.650 1.00 0.00 H new ATOM 639 N ALA A 41 -13.220 10.396 3.223 1.00 0.00 N ATOM 640 CA ALA A 41 -12.483 11.072 2.157 1.00 0.00 C ATOM 641 C ALA A 41 -11.433 10.145 1.573 1.00 0.00 C ATOM 642 O ALA A 41 -11.180 10.152 0.373 1.00 0.00 O ATOM 643 CB ALA A 41 -11.848 12.364 2.655 1.00 0.00 C ATOM 0 H ALA A 41 -13.006 10.728 4.163 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.191 11.336 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.307 12.842 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.626 13.036 3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.155 12.140 3.466 1.00 0.00 H new ATOM 649 N ALA A 42 -10.858 9.306 2.421 1.00 0.00 N ATOM 650 CA ALA A 42 -9.866 8.341 1.975 1.00 0.00 C ATOM 651 C ALA A 42 -10.525 7.302 1.085 1.00 0.00 C ATOM 652 O ALA A 42 -9.960 6.895 0.078 1.00 0.00 O ATOM 653 CB ALA A 42 -9.176 7.672 3.150 1.00 0.00 C ATOM 0 H ALA A 42 -11.061 9.274 3.420 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.104 8.872 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.441 6.957 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.675 8.427 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.916 7.151 3.758 1.00 0.00 H new ATOM 659 N ALA A 43 -11.746 6.902 1.455 1.00 0.00 N ATOM 660 CA ALA A 43 -12.538 5.951 0.675 1.00 0.00 C ATOM 661 C ALA A 43 -12.894 6.536 -0.681 1.00 0.00 C ATOM 662 O ALA A 43 -13.063 5.802 -1.679 1.00 0.00 O ATOM 663 CB ALA A 43 -13.805 5.572 1.413 1.00 0.00 C ATOM 0 H ALA A 43 -12.211 7.229 2.302 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.934 5.056 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.377 4.864 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.547 5.113 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.404 6.465 1.590 1.00 0.00 H new ATOM 669 N GLU A 44 -13.018 7.846 -0.729 1.00 0.00 N ATOM 670 CA GLU A 44 -13.303 8.524 -1.957 1.00 0.00 C ATOM 671 C GLU A 44 -12.032 8.537 -2.803 1.00 0.00 C ATOM 672 O GLU A 44 -12.046 8.132 -3.964 1.00 0.00 O ATOM 673 CB GLU A 44 -13.802 9.942 -1.686 1.00 0.00 C ATOM 674 CG GLU A 44 -14.470 10.581 -2.884 1.00 0.00 C ATOM 675 CD GLU A 44 -15.731 9.849 -3.288 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.662 8.887 -4.081 1.00 0.00 O ATOM 677 OE2 GLU A 44 -16.817 10.207 -2.800 1.00 0.00 O ATOM 0 H GLU A 44 -12.923 8.459 0.081 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.094 8.004 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.507 9.919 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.962 10.562 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.711 11.619 -2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.774 10.594 -3.723 1.00 0.00 H new ATOM 684 N PHE A 45 -10.932 8.930 -2.164 1.00 0.00 N ATOM 685 CA PHE A 45 -9.603 8.976 -2.770 1.00 0.00 C ATOM 686 C PHE A 45 -9.225 7.636 -3.404 1.00 0.00 C ATOM 687 O PHE A 45 -8.941 7.573 -4.602 1.00 0.00 O ATOM 688 CB PHE A 45 -8.566 9.385 -1.708 1.00 0.00 C ATOM 689 CG PHE A 45 -7.133 9.359 -2.173 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.617 10.392 -2.938 1.00 0.00 C ATOM 691 CD2 PHE A 45 -6.299 8.305 -1.825 1.00 0.00 C ATOM 692 CE1 PHE A 45 -5.300 10.374 -3.354 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.987 8.282 -2.238 1.00 0.00 C ATOM 694 CZ PHE A 45 -4.483 9.318 -3.001 1.00 0.00 C ATOM 0 H PHE A 45 -10.940 9.232 -1.190 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.616 9.718 -3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.801 10.391 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.666 8.720 -0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.252 11.221 -3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.684 7.495 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.910 11.183 -3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.350 7.453 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.452 9.302 -3.321 1.00 0.00 H new ATOM 704 N VAL A 46 -9.263 6.561 -2.609 1.00 0.00 N ATOM 705 CA VAL A 46 -8.907 5.229 -3.098 1.00 0.00 C ATOM 706 C VAL A 46 -9.861 4.776 -4.209 1.00 0.00 C ATOM 707 O VAL A 46 -9.474 4.050 -5.097 1.00 0.00 O ATOM 708 CB VAL A 46 -8.795 4.163 -1.943 1.00 0.00 C ATOM 709 CG1 VAL A 46 -10.044 4.058 -1.168 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.469 2.801 -2.463 1.00 0.00 C ATOM 0 H VAL A 46 -9.536 6.589 -1.627 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.909 5.306 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.987 4.517 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.923 3.312 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.276 5.024 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.858 3.760 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.402 2.100 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.252 2.476 -3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.515 2.831 -2.989 1.00 0.00 H new ATOM 720 N GLY A 47 -11.083 5.287 -4.178 1.00 0.00 N ATOM 721 CA GLY A 47 -12.050 4.955 -5.195 1.00 0.00 C ATOM 722 C GLY A 47 -11.703 5.592 -6.522 1.00 0.00 C ATOM 723 O GLY A 47 -11.845 4.971 -7.569 1.00 0.00 O ATOM 0 H GLY A 47 -11.420 5.929 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.099 3.872 -5.312 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.039 5.286 -4.879 1.00 0.00 H new ATOM 727 N SER A 48 -11.219 6.817 -6.465 1.00 0.00 N ATOM 728 CA SER A 48 -10.841 7.555 -7.649 1.00 0.00 C ATOM 729 C SER A 48 -9.520 7.030 -8.239 1.00 0.00 C ATOM 730 O SER A 48 -9.346 6.990 -9.458 1.00 0.00 O ATOM 731 CB SER A 48 -10.720 9.040 -7.306 1.00 0.00 C ATOM 732 OG SER A 48 -11.926 9.525 -6.724 1.00 0.00 O ATOM 0 H SER A 48 -11.077 7.328 -5.593 1.00 0.00 H new ATOM 0 HA SER A 48 -11.615 7.418 -8.405 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.891 9.192 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.492 9.609 -8.208 1.00 0.00 H new ATOM 0 HG SER A 48 -12.036 9.139 -5.830 1.00 0.00 H new ATOM 738 N VAL A 49 -8.613 6.598 -7.380 1.00 0.00 N ATOM 739 CA VAL A 49 -7.303 6.120 -7.836 1.00 0.00 C ATOM 740 C VAL A 49 -7.291 4.610 -8.015 1.00 0.00 C ATOM 741 O VAL A 49 -6.235 3.997 -8.174 1.00 0.00 O ATOM 742 CB VAL A 49 -6.153 6.536 -6.873 1.00 0.00 C ATOM 743 CG1 VAL A 49 -6.090 8.037 -6.750 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.323 5.908 -5.503 1.00 0.00 C ATOM 0 H VAL A 49 -8.750 6.565 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.129 6.596 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.217 6.172 -7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.281 8.313 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.908 8.475 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.036 8.410 -6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.503 6.219 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.270 6.231 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.318 4.822 -5.597 1.00 0.00 H new ATOM 754 N ASN A 50 -8.445 4.020 -8.006 1.00 0.00 N ATOM 755 CA ASN A 50 -8.549 2.586 -8.139 1.00 0.00 C ATOM 756 C ASN A 50 -8.710 2.210 -9.591 1.00 0.00 C ATOM 757 O ASN A 50 -8.659 3.073 -10.490 1.00 0.00 O ATOM 758 CB ASN A 50 -9.763 2.052 -7.379 1.00 0.00 C ATOM 759 CG ASN A 50 -9.400 0.986 -6.373 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.120 0.007 -6.184 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.351 1.191 -5.671 1.00 0.00 N ATOM 0 H ASN A 50 -9.337 4.505 -7.908 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.637 2.152 -7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.256 2.877 -6.865 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.481 1.644 -8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.094 0.534 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.771 2.011 -5.848 1.00 0.00 H new ATOM 768 N GLY A 51 -8.925 0.930 -9.829 1.00 0.00 N ATOM 769 CA GLY A 51 -9.210 0.454 -11.155 1.00 0.00 C ATOM 770 C GLY A 51 -10.672 0.672 -11.465 1.00 0.00 C ATOM 771 O GLY A 51 -11.468 -0.270 -11.476 1.00 0.00 O ATOM 0 H GLY A 51 -8.906 0.204 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.591 0.979 -11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.965 -0.605 -11.233 1.00 0.00 H new ATOM 775 N GLY A 52 -11.032 1.925 -11.625 1.00 0.00 N ATOM 776 CA GLY A 52 -12.385 2.296 -11.931 1.00 0.00 C ATOM 777 C GLY A 52 -13.152 2.746 -10.712 1.00 0.00 C ATOM 778 O GLY A 52 -13.586 3.893 -10.635 1.00 0.00 O ATOM 0 H GLY A 52 -10.390 2.713 -11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.380 3.098 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.897 1.448 -12.385 1.00 0.00 H new ATOM 782 N ASN A 53 -13.302 1.853 -9.766 1.00 0.00 N ATOM 783 CA ASN A 53 -14.044 2.100 -8.535 1.00 0.00 C ATOM 784 C ASN A 53 -13.336 1.355 -7.424 1.00 0.00 C ATOM 785 O ASN A 53 -12.570 0.438 -7.726 1.00 0.00 O ATOM 786 CB ASN A 53 -15.480 1.578 -8.690 1.00 0.00 C ATOM 787 CG ASN A 53 -16.349 1.840 -7.475 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.176 2.834 -6.760 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.256 0.951 -7.218 1.00 0.00 N ATOM 0 H ASN A 53 -12.908 0.914 -9.822 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.088 3.166 -8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.937 2.046 -9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.450 0.505 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.858 1.058 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.368 0.144 -7.832 1.00 0.00 H new ATOM 796 N ARG A 54 -13.565 1.734 -6.160 1.00 0.00 N ATOM 797 CA ARG A 54 -12.893 1.064 -5.042 1.00 0.00 C ATOM 798 C ARG A 54 -13.278 -0.406 -4.974 1.00 0.00 C ATOM 799 O ARG A 54 -14.451 -0.758 -4.810 1.00 0.00 O ATOM 800 CB ARG A 54 -13.101 1.741 -3.645 1.00 0.00 C ATOM 801 CG ARG A 54 -14.522 1.702 -3.062 1.00 0.00 C ATOM 802 CD ARG A 54 -15.450 2.693 -3.715 1.00 0.00 C ATOM 803 NE ARG A 54 -15.019 4.061 -3.446 1.00 0.00 N ATOM 804 CZ ARG A 54 -15.555 5.162 -3.971 1.00 0.00 C ATOM 805 NH1 ARG A 54 -16.462 5.086 -4.943 1.00 0.00 N ATOM 806 NH2 ARG A 54 -15.131 6.332 -3.545 1.00 0.00 N ATOM 0 H ARG A 54 -14.198 2.487 -5.890 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.830 1.161 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.428 1.264 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.794 2.784 -3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.930 0.698 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.476 1.905 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.476 2.520 -4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.465 2.547 -3.344 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.240 4.185 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.756 4.175 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.863 5.938 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.407 6.382 -2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.526 7.189 -3.932 1.00 0.00 H new ATOM 820 N THR A 55 -12.309 -1.239 -5.152 1.00 0.00 N ATOM 821 CA THR A 55 -12.496 -2.651 -5.087 1.00 0.00 C ATOM 822 C THR A 55 -11.155 -3.341 -4.737 1.00 0.00 C ATOM 823 O THR A 55 -11.124 -4.431 -4.139 1.00 0.00 O ATOM 824 CB THR A 55 -13.112 -3.197 -6.427 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.455 -4.580 -6.311 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.163 -3.001 -7.612 1.00 0.00 C ATOM 0 H THR A 55 -11.350 -0.955 -5.350 1.00 0.00 H new ATOM 0 HA THR A 55 -13.209 -2.884 -4.296 1.00 0.00 H new ATOM 0 HB THR A 55 -14.017 -2.620 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.837 -4.894 -7.157 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.627 -3.392 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.955 -1.939 -7.740 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.231 -3.533 -7.423 1.00 0.00 H new ATOM 834 N VAL A 56 -10.051 -2.681 -5.063 1.00 0.00 N ATOM 835 CA VAL A 56 -8.735 -3.215 -4.790 1.00 0.00 C ATOM 836 C VAL A 56 -7.946 -2.292 -3.863 1.00 0.00 C ATOM 837 O VAL A 56 -8.086 -1.061 -3.936 1.00 0.00 O ATOM 838 CB VAL A 56 -7.920 -3.494 -6.089 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.472 -4.703 -6.823 1.00 0.00 C ATOM 840 CG2 VAL A 56 -7.929 -2.290 -7.015 1.00 0.00 C ATOM 0 H VAL A 56 -10.048 -1.769 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.891 -4.171 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.892 -3.696 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.888 -4.878 -7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.413 -5.579 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.512 -4.521 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.352 -2.516 -7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.956 -2.053 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.486 -1.435 -6.505 1.00 0.00 H new ATOM 850 N PRO A 57 -7.128 -2.873 -2.962 1.00 0.00 N ATOM 851 CA PRO A 57 -6.305 -2.106 -2.028 1.00 0.00 C ATOM 852 C PRO A 57 -5.328 -1.193 -2.766 1.00 0.00 C ATOM 853 O PRO A 57 -4.783 -1.554 -3.815 1.00 0.00 O ATOM 854 CB PRO A 57 -5.542 -3.179 -1.231 1.00 0.00 C ATOM 855 CG PRO A 57 -5.652 -4.422 -2.046 1.00 0.00 C ATOM 856 CD PRO A 57 -6.949 -4.322 -2.777 1.00 0.00 C ATOM 0 HA PRO A 57 -6.905 -1.452 -1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.500 -2.895 -1.085 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.976 -3.317 -0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.818 -4.507 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.629 -5.308 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.913 -4.847 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.767 -4.758 -2.204 1.00 0.00 H new ATOM 864 N THR A 58 -5.148 -0.016 -2.257 1.00 0.00 N ATOM 865 CA THR A 58 -4.260 0.936 -2.863 1.00 0.00 C ATOM 866 C THR A 58 -3.229 1.376 -1.835 1.00 0.00 C ATOM 867 O THR A 58 -3.558 1.517 -0.655 1.00 0.00 O ATOM 868 CB THR A 58 -5.071 2.140 -3.352 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.122 1.626 -4.146 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.235 3.069 -4.219 1.00 0.00 C ATOM 0 H THR A 58 -5.610 0.316 -1.410 1.00 0.00 H new ATOM 0 HA THR A 58 -3.747 0.486 -3.713 1.00 0.00 H new ATOM 0 HB THR A 58 -5.426 2.710 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.889 1.715 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.846 3.910 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.387 3.439 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.872 2.524 -5.091 1.00 0.00 H new ATOM 878 N VAL A 59 -2.002 1.547 -2.257 1.00 0.00 N ATOM 879 CA VAL A 59 -0.952 1.970 -1.358 1.00 0.00 C ATOM 880 C VAL A 59 -0.563 3.402 -1.629 1.00 0.00 C ATOM 881 O VAL A 59 -0.416 3.802 -2.782 1.00 0.00 O ATOM 882 CB VAL A 59 0.314 1.073 -1.446 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.008 -0.322 -0.991 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.870 1.038 -2.851 1.00 0.00 C ATOM 0 H VAL A 59 -1.702 1.400 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.358 1.877 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 59 1.066 1.508 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.908 -0.933 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.337 -0.300 0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.770 -0.749 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.755 0.402 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.117 0.639 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.140 2.048 -3.161 1.00 0.00 H new ATOM 894 N LYS A 60 -0.461 4.173 -0.590 1.00 0.00 N ATOM 895 CA LYS A 60 0.022 5.519 -0.685 1.00 0.00 C ATOM 896 C LYS A 60 1.357 5.568 0.017 1.00 0.00 C ATOM 897 O LYS A 60 1.422 5.380 1.233 1.00 0.00 O ATOM 898 CB LYS A 60 -0.941 6.502 -0.011 1.00 0.00 C ATOM 899 CG LYS A 60 -0.579 7.970 -0.250 1.00 0.00 C ATOM 900 CD LYS A 60 -1.508 8.922 0.501 1.00 0.00 C ATOM 901 CE LYS A 60 -1.351 8.802 2.009 1.00 0.00 C ATOM 902 NZ LYS A 60 -2.283 9.686 2.740 1.00 0.00 N ATOM 0 H LYS A 60 -0.712 3.885 0.356 1.00 0.00 H new ATOM 0 HA LYS A 60 0.109 5.805 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.951 6.320 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.953 6.309 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.450 8.145 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.626 8.185 -1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.300 9.947 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.542 8.711 0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.523 7.768 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.326 9.049 2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.951 9.808 3.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.323 10.613 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.232 9.260 2.747 1.00 0.00 H new ATOM 916 N PHE A 61 2.398 5.773 -0.717 1.00 0.00 N ATOM 917 CA PHE A 61 3.728 5.807 -0.148 1.00 0.00 C ATOM 918 C PHE A 61 3.980 7.130 0.518 1.00 0.00 C ATOM 919 O PHE A 61 3.243 8.089 0.292 1.00 0.00 O ATOM 920 CB PHE A 61 4.780 5.567 -1.215 1.00 0.00 C ATOM 921 CG PHE A 61 4.684 4.241 -1.891 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.893 4.090 -3.005 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.393 3.148 -1.419 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.803 2.889 -3.644 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.305 1.931 -2.057 1.00 0.00 C ATOM 926 CZ PHE A 61 4.509 1.805 -3.176 1.00 0.00 C ATOM 0 H PHE A 61 2.365 5.923 -1.725 1.00 0.00 H new ATOM 0 HA PHE A 61 3.794 5.012 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.701 6.351 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.767 5.659 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.335 4.935 -3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.019 3.251 -0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.177 2.789 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.856 1.080 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.440 0.855 -3.685 1.00 0.00 H new ATOM 936 N ALA A 62 5.035 7.191 1.317 1.00 0.00 N ATOM 937 CA ALA A 62 5.431 8.413 2.015 1.00 0.00 C ATOM 938 C ALA A 62 5.773 9.547 1.042 1.00 0.00 C ATOM 939 O ALA A 62 5.793 10.711 1.423 1.00 0.00 O ATOM 940 CB ALA A 62 6.602 8.139 2.939 1.00 0.00 C ATOM 0 H ALA A 62 5.644 6.394 1.502 1.00 0.00 H new ATOM 0 HA ALA A 62 4.577 8.739 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.884 9.059 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.317 7.387 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.448 7.774 2.356 1.00 0.00 H new ATOM 946 N ASP A 63 6.031 9.200 -0.222 1.00 0.00 N ATOM 947 CA ASP A 63 6.329 10.205 -1.243 1.00 0.00 C ATOM 948 C ASP A 63 5.019 10.791 -1.793 1.00 0.00 C ATOM 949 O ASP A 63 5.021 11.789 -2.512 1.00 0.00 O ATOM 950 CB ASP A 63 7.180 9.625 -2.406 1.00 0.00 C ATOM 951 CG ASP A 63 6.388 8.799 -3.410 1.00 0.00 C ATOM 952 OD1 ASP A 63 6.199 7.581 -3.198 1.00 0.00 O ATOM 953 OD2 ASP A 63 5.951 9.357 -4.438 1.00 0.00 O ATOM 0 H ASP A 63 6.039 8.238 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 63 6.917 10.991 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.664 10.448 -2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.972 9.004 -1.987 1.00 0.00 H new ATOM 958 N GLY A 64 3.906 10.153 -1.451 1.00 0.00 N ATOM 959 CA GLY A 64 2.603 10.619 -1.875 1.00 0.00 C ATOM 960 C GLY A 64 2.042 9.839 -3.052 1.00 0.00 C ATOM 961 O GLY A 64 0.885 10.026 -3.428 1.00 0.00 O ATOM 0 H GLY A 64 3.886 9.309 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.909 10.549 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.671 11.673 -2.145 1.00 0.00 H new ATOM 965 N SER A 65 2.841 8.962 -3.620 1.00 0.00 N ATOM 966 CA SER A 65 2.433 8.219 -4.788 1.00 0.00 C ATOM 967 C SER A 65 1.534 7.055 -4.403 1.00 0.00 C ATOM 968 O SER A 65 1.693 6.451 -3.333 1.00 0.00 O ATOM 969 CB SER A 65 3.668 7.727 -5.552 1.00 0.00 C ATOM 970 OG SER A 65 3.339 7.065 -6.766 1.00 0.00 O ATOM 0 H SER A 65 3.781 8.747 -3.288 1.00 0.00 H new ATOM 0 HA SER A 65 1.860 8.879 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.316 8.576 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.236 7.048 -4.916 1.00 0.00 H new ATOM 0 HG SER A 65 3.977 7.324 -7.463 1.00 0.00 H new ATOM 976 N THR A 66 0.597 6.766 -5.258 1.00 0.00 N ATOM 977 CA THR A 66 -0.311 5.687 -5.076 1.00 0.00 C ATOM 978 C THR A 66 -0.176 4.678 -6.212 1.00 0.00 C ATOM 979 O THR A 66 0.026 5.063 -7.373 1.00 0.00 O ATOM 980 CB THR A 66 -1.748 6.231 -5.036 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.800 7.484 -5.750 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.215 6.439 -3.618 1.00 0.00 C ATOM 0 H THR A 66 0.445 7.290 -6.120 1.00 0.00 H new ATOM 0 HA THR A 66 -0.080 5.186 -4.136 1.00 0.00 H new ATOM 0 HB THR A 66 -2.407 5.501 -5.506 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.715 7.835 -5.729 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.235 6.824 -3.624 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.189 5.490 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.560 7.154 -3.120 1.00 0.00 H new ATOM 990 N LEU A 67 -0.268 3.410 -5.880 1.00 0.00 N ATOM 991 CA LEU A 67 -0.260 2.342 -6.870 1.00 0.00 C ATOM 992 C LEU A 67 -1.405 1.407 -6.576 1.00 0.00 C ATOM 993 O LEU A 67 -1.736 1.169 -5.394 1.00 0.00 O ATOM 994 CB LEU A 67 1.060 1.524 -6.885 1.00 0.00 C ATOM 995 CG LEU A 67 2.366 2.233 -7.276 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.510 1.225 -7.292 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.245 2.890 -8.641 1.00 0.00 C ATOM 0 H LEU A 67 -0.351 3.084 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.356 2.810 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.199 1.103 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.922 0.687 -7.569 1.00 0.00 H new ATOM 0 HG LEU A 67 2.568 3.010 -6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.436 1.729 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.620 0.784 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.293 0.440 -8.017 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.184 3.384 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.022 2.131 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.442 3.627 -8.620 1.00 0.00 H new ATOM 1009 N THR A 68 -2.010 0.897 -7.617 1.00 0.00 N ATOM 1010 CA THR A 68 -3.097 -0.038 -7.507 1.00 0.00 C ATOM 1011 C THR A 68 -2.513 -1.392 -7.077 1.00 0.00 C ATOM 1012 O THR A 68 -1.438 -1.748 -7.569 1.00 0.00 O ATOM 1013 CB THR A 68 -3.761 -0.191 -8.881 1.00 0.00 C ATOM 1014 OG1 THR A 68 -3.844 1.105 -9.511 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.163 -0.751 -8.736 1.00 0.00 C ATOM 0 H THR A 68 -1.757 1.123 -8.579 1.00 0.00 H new ATOM 0 HA THR A 68 -3.833 0.309 -6.782 1.00 0.00 H new ATOM 0 HB THR A 68 -3.164 -0.874 -9.485 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.266 1.015 -10.391 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.618 -0.852 -9.721 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.117 -1.728 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.763 -0.075 -8.127 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.240 -2.116 -6.168 1.00 0.00 N ATOM 1024 CA ASN A 69 -2.833 -3.428 -5.534 1.00 0.00 C ATOM 1025 C ASN A 69 -1.555 -4.066 -6.076 1.00 0.00 C ATOM 1026 O ASN A 69 -1.582 -4.938 -6.948 1.00 0.00 O ATOM 1027 CB ASN A 69 -3.986 -4.472 -5.437 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.617 -4.891 -6.770 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -4.694 -4.115 -7.718 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -5.079 -6.120 -6.844 1.00 0.00 N ATOM 0 H ASN A 69 -4.153 -1.799 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.587 -3.114 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.603 -5.364 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.769 -4.063 -4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.515 -6.450 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.001 -6.743 -6.040 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.419 -3.607 -5.561 1.00 0.00 N ATOM 1038 CA PRO A 70 0.888 -4.054 -5.976 1.00 0.00 C ATOM 1039 C PRO A 70 1.381 -5.232 -5.169 1.00 0.00 C ATOM 1040 O PRO A 70 0.857 -5.534 -4.094 1.00 0.00 O ATOM 1041 CB PRO A 70 1.768 -2.825 -5.724 1.00 0.00 C ATOM 1042 CG PRO A 70 1.004 -1.958 -4.762 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.328 -2.591 -4.518 1.00 0.00 C ATOM 0 HA PRO A 70 0.894 -4.402 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.732 -3.115 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.970 -2.292 -6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.553 -1.854 -3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.879 -0.955 -5.171 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.387 -3.031 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.137 -1.865 -4.594 1.00 0.00 H new ATOM 1051 N SER A 71 2.329 -5.934 -5.711 1.00 0.00 N ATOM 1052 CA SER A 71 2.953 -7.016 -5.019 1.00 0.00 C ATOM 1053 C SER A 71 4.033 -6.447 -4.087 1.00 0.00 C ATOM 1054 O SER A 71 4.340 -5.242 -4.150 1.00 0.00 O ATOM 1055 CB SER A 71 3.552 -7.973 -6.038 1.00 0.00 C ATOM 1056 OG SER A 71 2.589 -8.275 -7.050 1.00 0.00 O ATOM 0 H SER A 71 2.692 -5.770 -6.650 1.00 0.00 H new ATOM 0 HA SER A 71 2.228 -7.564 -4.417 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.439 -7.528 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.872 -8.890 -5.544 1.00 0.00 H new ATOM 0 HG SER A 71 2.740 -7.699 -7.828 1.00 0.00 H new ATOM 1062 N ALA A 72 4.628 -7.293 -3.272 1.00 0.00 N ATOM 1063 CA ALA A 72 5.610 -6.857 -2.291 1.00 0.00 C ATOM 1064 C ALA A 72 6.846 -6.286 -2.958 1.00 0.00 C ATOM 1065 O ALA A 72 7.389 -5.282 -2.525 1.00 0.00 O ATOM 1066 CB ALA A 72 5.975 -7.995 -1.365 1.00 0.00 C ATOM 0 H ALA A 72 4.449 -8.297 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 72 5.160 -6.060 -1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.711 -7.651 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.082 -8.340 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.396 -8.816 -1.946 1.00 0.00 H new ATOM 1072 N ASP A 73 7.254 -6.894 -4.033 1.00 0.00 N ATOM 1073 CA ASP A 73 8.423 -6.436 -4.769 1.00 0.00 C ATOM 1074 C ASP A 73 8.126 -5.109 -5.476 1.00 0.00 C ATOM 1075 O ASP A 73 9.014 -4.256 -5.618 1.00 0.00 O ATOM 1076 CB ASP A 73 8.883 -7.485 -5.781 1.00 0.00 C ATOM 1077 CG ASP A 73 7.916 -7.696 -6.928 1.00 0.00 C ATOM 1078 OD1 ASP A 73 6.924 -8.452 -6.767 1.00 0.00 O ATOM 1079 OD2 ASP A 73 8.142 -7.149 -8.010 1.00 0.00 O ATOM 0 H ASP A 73 6.799 -7.715 -4.432 1.00 0.00 H new ATOM 0 HA ASP A 73 9.230 -6.279 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.851 -7.187 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.032 -8.433 -5.265 1.00 0.00 H new ATOM 1084 N GLU A 74 6.868 -4.922 -5.863 1.00 0.00 N ATOM 1085 CA GLU A 74 6.438 -3.715 -6.546 1.00 0.00 C ATOM 1086 C GLU A 74 6.466 -2.531 -5.591 1.00 0.00 C ATOM 1087 O GLU A 74 6.921 -1.443 -5.948 1.00 0.00 O ATOM 1088 CB GLU A 74 5.039 -3.888 -7.142 1.00 0.00 C ATOM 1089 CG GLU A 74 4.939 -4.967 -8.206 1.00 0.00 C ATOM 1090 CD GLU A 74 3.550 -5.081 -8.787 1.00 0.00 C ATOM 1091 OE1 GLU A 74 3.166 -4.236 -9.614 1.00 0.00 O ATOM 1092 OE2 GLU A 74 2.805 -6.008 -8.402 1.00 0.00 O ATOM 0 H GLU A 74 6.123 -5.602 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 74 7.131 -3.523 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.341 -4.122 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.721 -2.939 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.647 -4.750 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.229 -5.925 -7.775 1.00 0.00 H new ATOM 1099 N VAL A 75 5.997 -2.744 -4.371 1.00 0.00 N ATOM 1100 CA VAL A 75 6.030 -1.688 -3.368 1.00 0.00 C ATOM 1101 C VAL A 75 7.444 -1.428 -2.870 1.00 0.00 C ATOM 1102 O VAL A 75 7.809 -0.272 -2.615 1.00 0.00 O ATOM 1103 CB VAL A 75 5.061 -1.913 -2.174 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.647 -1.732 -2.616 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.198 -3.292 -1.627 1.00 0.00 C ATOM 0 H VAL A 75 5.594 -3.625 -4.053 1.00 0.00 H new ATOM 0 HA VAL A 75 5.670 -0.799 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 75 5.317 -1.185 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.978 -1.892 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.512 -0.720 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.417 -2.451 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.509 -3.423 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.966 -4.017 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.220 -3.446 -1.281 1.00 0.00 H new ATOM 1115 N LYS A 76 8.257 -2.495 -2.768 1.00 0.00 N ATOM 1116 CA LYS A 76 9.649 -2.349 -2.353 1.00 0.00 C ATOM 1117 C LYS A 76 10.406 -1.420 -3.276 1.00 0.00 C ATOM 1118 O LYS A 76 11.228 -0.654 -2.820 1.00 0.00 O ATOM 1119 CB LYS A 76 10.390 -3.690 -2.256 1.00 0.00 C ATOM 1120 CG LYS A 76 9.991 -4.529 -1.062 1.00 0.00 C ATOM 1121 CD LYS A 76 10.788 -5.840 -0.918 1.00 0.00 C ATOM 1122 CE LYS A 76 12.249 -5.647 -0.445 1.00 0.00 C ATOM 1123 NZ LYS A 76 13.174 -5.105 -1.478 1.00 0.00 N ATOM 0 H LYS A 76 7.971 -3.454 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 76 9.613 -1.917 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.207 -4.261 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.462 -3.498 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.120 -3.937 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.930 -4.768 -1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.272 -6.490 -0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.794 -6.355 -1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.252 -4.975 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.634 -6.607 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.108 -5.552 -1.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.794 -5.307 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.268 -4.077 -1.355 1.00 0.00 H new ATOM 1137 N ALA A 77 10.079 -1.481 -4.571 1.00 0.00 N ATOM 1138 CA ALA A 77 10.722 -0.659 -5.599 1.00 0.00 C ATOM 1139 C ALA A 77 10.631 0.828 -5.279 1.00 0.00 C ATOM 1140 O ALA A 77 11.597 1.562 -5.453 1.00 0.00 O ATOM 1141 CB ALA A 77 10.120 -0.940 -6.969 1.00 0.00 C ATOM 0 H ALA A 77 9.359 -2.104 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 77 11.777 -0.931 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.612 -0.319 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.262 -1.991 -7.220 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.054 -0.712 -6.952 1.00 0.00 H new ATOM 1147 N LYS A 78 9.479 1.271 -4.801 1.00 0.00 N ATOM 1148 CA LYS A 78 9.342 2.664 -4.441 1.00 0.00 C ATOM 1149 C LYS A 78 9.851 2.915 -3.055 1.00 0.00 C ATOM 1150 O LYS A 78 10.650 3.821 -2.846 1.00 0.00 O ATOM 1151 CB LYS A 78 7.915 3.178 -4.554 1.00 0.00 C ATOM 1152 CG LYS A 78 7.352 3.132 -5.948 1.00 0.00 C ATOM 1153 CD LYS A 78 6.063 3.929 -6.063 1.00 0.00 C ATOM 1154 CE LYS A 78 6.292 5.423 -6.374 1.00 0.00 C ATOM 1155 NZ LYS A 78 7.042 6.189 -5.340 1.00 0.00 N ATOM 0 H LYS A 78 8.647 0.699 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 78 9.946 3.214 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.275 2.589 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.882 4.206 -4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.087 3.526 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.165 2.096 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.444 3.493 -6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.506 3.841 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.830 5.500 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.322 5.898 -6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.171 7.170 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.507 6.183 -4.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.972 5.749 -5.189 1.00 0.00 H new ATOM 1169 N LEU A 79 9.414 2.075 -2.117 1.00 0.00 N ATOM 1170 CA LEU A 79 9.727 2.229 -0.696 1.00 0.00 C ATOM 1171 C LEU A 79 11.225 2.308 -0.436 1.00 0.00 C ATOM 1172 O LEU A 79 11.674 3.136 0.375 1.00 0.00 O ATOM 1173 CB LEU A 79 9.108 1.090 0.122 1.00 0.00 C ATOM 1174 CG LEU A 79 9.368 1.131 1.635 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.783 2.394 2.255 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.812 -0.112 2.312 1.00 0.00 C ATOM 0 H LEU A 79 8.830 1.264 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 79 9.291 3.176 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.030 1.095 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.485 0.144 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 79 10.447 1.149 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.981 2.398 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.242 3.270 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.707 2.418 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.008 -0.061 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.737 -0.169 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.292 -0.998 1.897 1.00 0.00 H new ATOM 1188 N VAL A 80 11.990 1.486 -1.143 1.00 0.00 N ATOM 1189 CA VAL A 80 13.420 1.452 -0.962 1.00 0.00 C ATOM 1190 C VAL A 80 14.032 2.823 -1.288 1.00 0.00 C ATOM 1191 O VAL A 80 14.770 3.361 -0.491 1.00 0.00 O ATOM 1192 CB VAL A 80 14.101 0.293 -1.787 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.050 0.506 -3.295 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.513 0.030 -1.320 1.00 0.00 C ATOM 0 H VAL A 80 11.636 0.837 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 80 13.617 1.231 0.087 1.00 0.00 H new ATOM 0 HB VAL A 80 13.504 -0.597 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.537 -0.330 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.011 0.568 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.565 1.432 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.948 -0.775 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.110 0.934 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.501 -0.259 -0.269 1.00 0.00 H new ATOM 1204 N LYS A 81 13.573 3.433 -2.375 1.00 0.00 N ATOM 1205 CA LYS A 81 14.127 4.687 -2.858 1.00 0.00 C ATOM 1206 C LYS A 81 13.682 5.858 -2.006 1.00 0.00 C ATOM 1207 O LYS A 81 14.318 6.916 -2.006 1.00 0.00 O ATOM 1208 CB LYS A 81 13.725 4.923 -4.313 1.00 0.00 C ATOM 1209 CG LYS A 81 14.127 3.796 -5.238 1.00 0.00 C ATOM 1210 CD LYS A 81 13.838 4.121 -6.686 1.00 0.00 C ATOM 1211 CE LYS A 81 14.230 2.961 -7.582 1.00 0.00 C ATOM 1212 NZ LYS A 81 15.655 2.606 -7.423 1.00 0.00 N ATOM 0 H LYS A 81 12.808 3.071 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 81 15.212 4.612 -2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.645 5.059 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.180 5.850 -4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.191 3.590 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.593 2.888 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.778 4.341 -6.810 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.386 5.016 -6.980 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.611 2.095 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.034 3.222 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.960 2.025 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.227 3.474 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.783 2.069 -6.542 1.00 0.00 H new ATOM 1226 N ILE A 82 12.593 5.683 -1.288 1.00 0.00 N ATOM 1227 CA ILE A 82 12.079 6.731 -0.430 1.00 0.00 C ATOM 1228 C ILE A 82 12.972 6.864 0.806 1.00 0.00 C ATOM 1229 O ILE A 82 13.246 7.973 1.284 1.00 0.00 O ATOM 1230 CB ILE A 82 10.597 6.466 -0.009 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.715 6.312 -1.261 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.072 7.605 0.867 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.264 5.996 -0.983 1.00 0.00 C ATOM 0 H ILE A 82 12.045 4.823 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 82 12.090 7.665 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 82 10.561 5.543 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.766 7.235 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.131 5.521 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.039 7.401 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.684 7.685 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.118 8.542 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.724 5.906 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.195 5.057 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.825 6.797 -0.388 1.00 0.00 H new ATOM 1245 N ALA A 83 13.472 5.743 1.278 1.00 0.00 N ATOM 1246 CA ALA A 83 14.318 5.727 2.453 1.00 0.00 C ATOM 1247 C ALA A 83 15.805 5.762 2.081 1.00 0.00 C ATOM 1248 O ALA A 83 16.602 6.460 2.728 1.00 0.00 O ATOM 1249 CB ALA A 83 14.007 4.510 3.309 1.00 0.00 C ATOM 0 H ALA A 83 13.307 4.826 0.864 1.00 0.00 H new ATOM 0 HA ALA A 83 14.105 6.627 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.650 4.510 4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.963 4.542 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.184 3.603 2.730 1.00 0.00 H new