USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 388 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 Single : A 15 ASN : amide:sc= -6.7! K(o=-6.7!,f=-2) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.763 X(o=-0.76,f=-0.29) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.568 USER MOD Single : A 25 CYS SG : rot 34:sc= 0.351 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= -0.275 (180deg=-1.32!) USER MOD Single : A 46 THR OG1 : rot 96:sc= 1.17 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.382 X(o=-0.38,f=-0.076) USER MOD Single : A 57 SER OG : rot -13:sc= 0.714 USER MOD Single : A 59 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 4.810 1.748 11.658 1.00 0.00 N ATOM 2 CA ASP A 11 5.213 3.123 11.254 1.00 0.00 C ATOM 3 C ASP A 11 4.525 3.490 9.936 1.00 0.00 C ATOM 4 O ASP A 11 3.962 4.557 9.796 1.00 0.00 O ATOM 5 CB ASP A 11 6.731 3.178 11.070 1.00 0.00 C ATOM 6 CG ASP A 11 7.185 4.637 11.001 1.00 0.00 C ATOM 7 OD1 ASP A 11 6.492 5.424 10.378 1.00 0.00 O ATOM 8 OD2 ASP A 11 8.219 4.942 11.574 1.00 0.00 O ATOM 0 HA ASP A 11 4.916 3.830 12.028 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.227 2.671 11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.017 2.654 10.158 1.00 0.00 H new ATOM 13 N LEU A 12 4.570 2.615 8.966 1.00 0.00 N ATOM 14 CA LEU A 12 3.924 2.917 7.658 1.00 0.00 C ATOM 15 C LEU A 12 2.423 2.591 7.738 1.00 0.00 C ATOM 16 O LEU A 12 2.025 1.668 8.422 1.00 0.00 O ATOM 17 CB LEU A 12 4.569 2.050 6.574 1.00 0.00 C ATOM 18 CG LEU A 12 6.082 2.297 6.532 1.00 0.00 C ATOM 19 CD1 LEU A 12 6.720 1.340 5.518 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.369 3.753 6.121 1.00 0.00 C ATOM 0 H LEU A 12 5.027 1.705 9.024 1.00 0.00 H new ATOM 0 HA LEU A 12 4.054 3.973 7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.370 0.997 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.128 2.279 5.604 1.00 0.00 H new ATOM 0 HG LEU A 12 6.504 2.121 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.796 1.511 5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.525 0.310 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.293 1.518 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.446 3.918 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.948 3.942 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.916 4.431 6.844 1.00 0.00 H new ATOM 32 N PRO A 13 1.590 3.337 7.043 1.00 0.00 N ATOM 33 CA PRO A 13 0.118 3.111 7.039 1.00 0.00 C ATOM 34 C PRO A 13 -0.251 1.612 7.116 1.00 0.00 C ATOM 35 O PRO A 13 0.443 0.782 6.569 1.00 0.00 O ATOM 36 CB PRO A 13 -0.315 3.700 5.693 1.00 0.00 C ATOM 37 CG PRO A 13 0.660 4.809 5.416 1.00 0.00 C ATOM 38 CD PRO A 13 1.953 4.481 6.189 1.00 0.00 C ATOM 0 HA PRO A 13 -0.370 3.564 7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.288 2.946 4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.337 4.076 5.738 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.860 4.888 4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.253 5.768 5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.768 4.228 5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.286 5.331 6.784 1.00 0.00 H new ATOM 46 N PRO A 14 -1.331 1.256 7.778 1.00 0.00 N ATOM 47 CA PRO A 14 -1.761 -0.170 7.886 1.00 0.00 C ATOM 48 C PRO A 14 -1.680 -0.936 6.554 1.00 0.00 C ATOM 49 O PRO A 14 -2.067 -0.440 5.516 1.00 0.00 O ATOM 50 CB PRO A 14 -3.222 -0.071 8.342 1.00 0.00 C ATOM 51 CG PRO A 14 -3.310 1.209 9.104 1.00 0.00 C ATOM 52 CD PRO A 14 -2.259 2.154 8.500 1.00 0.00 C ATOM 0 HA PRO A 14 -1.112 -0.723 8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.901 -0.069 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.498 -0.921 8.967 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.308 1.639 9.025 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.118 1.043 10.164 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.716 2.879 7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.742 2.721 9.274 1.00 0.00 H new ATOM 60 N ASN A 15 -1.218 -2.156 6.595 1.00 0.00 N ATOM 61 CA ASN A 15 -1.150 -2.989 5.357 1.00 0.00 C ATOM 62 C ASN A 15 -0.239 -2.354 4.297 1.00 0.00 C ATOM 63 O ASN A 15 -0.558 -2.348 3.124 1.00 0.00 O ATOM 64 CB ASN A 15 -2.562 -3.153 4.789 1.00 0.00 C ATOM 65 CG ASN A 15 -3.547 -3.382 5.938 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.921 -4.503 6.219 1.00 0.00 O ATOM 67 ND2 ASN A 15 -3.985 -2.356 6.618 1.00 0.00 N ATOM 0 H ASN A 15 -0.881 -2.617 7.440 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.729 -3.960 5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.845 -2.264 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.592 -3.994 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.642 -2.496 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.670 -1.415 6.381 1.00 0.00 H new ATOM 74 N LEU A 16 0.904 -1.851 4.690 1.00 0.00 N ATOM 75 CA LEU A 16 1.852 -1.251 3.697 1.00 0.00 C ATOM 76 C LEU A 16 3.272 -1.659 4.085 1.00 0.00 C ATOM 77 O LEU A 16 3.736 -1.366 5.169 1.00 0.00 O ATOM 78 CB LEU A 16 1.726 0.277 3.692 1.00 0.00 C ATOM 79 CG LEU A 16 2.845 0.903 2.838 1.00 0.00 C ATOM 80 CD1 LEU A 16 2.882 0.249 1.452 1.00 0.00 C ATOM 81 CD2 LEU A 16 2.594 2.411 2.689 1.00 0.00 C ATOM 0 H LEU A 16 1.224 -1.829 5.658 1.00 0.00 H new ATOM 0 HA LEU A 16 1.617 -1.612 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.752 0.567 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.782 0.657 4.712 1.00 0.00 H new ATOM 0 HG LEU A 16 3.802 0.738 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.677 0.700 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.070 -0.819 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.925 0.401 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.386 2.854 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.632 2.573 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.585 2.878 3.674 1.00 0.00 H new ATOM 93 N TYR A 17 3.953 -2.356 3.213 1.00 0.00 N ATOM 94 CA TYR A 17 5.340 -2.824 3.518 1.00 0.00 C ATOM 95 C TYR A 17 6.344 -2.131 2.613 1.00 0.00 C ATOM 96 O TYR A 17 5.993 -1.336 1.765 1.00 0.00 O ATOM 97 CB TYR A 17 5.410 -4.325 3.264 1.00 0.00 C ATOM 98 CG TYR A 17 4.334 -4.991 4.067 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.042 -5.106 3.546 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.627 -5.474 5.338 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.036 -5.714 4.303 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.625 -6.085 6.102 1.00 0.00 C ATOM 103 CZ TYR A 17 2.327 -6.206 5.583 1.00 0.00 C ATOM 104 OH TYR A 17 1.337 -6.804 6.336 1.00 0.00 O ATOM 0 H TYR A 17 3.604 -2.624 2.293 1.00 0.00 H new ATOM 0 HA TYR A 17 5.577 -2.592 4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.278 -4.537 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.389 -4.712 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.821 -4.726 2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.627 -5.378 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.037 -5.804 3.903 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.851 -6.462 7.088 1.00 0.00 H new ATOM 0 HH TYR A 17 1.708 -7.089 7.197 1.00 0.00 H new ATOM 114 N ILE A 18 7.600 -2.452 2.781 1.00 0.00 N ATOM 115 CA ILE A 18 8.659 -1.839 1.921 1.00 0.00 C ATOM 116 C ILE A 18 9.674 -2.910 1.533 1.00 0.00 C ATOM 117 O ILE A 18 9.936 -3.836 2.275 1.00 0.00 O ATOM 118 CB ILE A 18 9.344 -0.677 2.663 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.066 0.224 1.646 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.362 -1.211 3.679 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.632 1.462 2.347 1.00 0.00 C ATOM 0 H ILE A 18 7.940 -3.114 3.478 1.00 0.00 H new ATOM 0 HA ILE A 18 8.205 -1.436 1.015 1.00 0.00 H new ATOM 0 HB ILE A 18 8.583 -0.105 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.871 -0.331 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.373 0.526 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.836 -0.375 4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.853 -1.843 4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.122 -1.795 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.141 2.092 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.819 2.023 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.340 1.153 3.116 1.00 0.00 H new ATOM 133 N ARG A 19 10.232 -2.797 0.361 1.00 0.00 N ATOM 134 CA ARG A 19 11.223 -3.816 -0.104 1.00 0.00 C ATOM 135 C ARG A 19 12.640 -3.392 0.278 1.00 0.00 C ATOM 136 O ARG A 19 12.907 -2.236 0.541 1.00 0.00 O ATOM 137 CB ARG A 19 11.126 -3.954 -1.625 1.00 0.00 C ATOM 138 CG ARG A 19 9.663 -4.153 -2.027 1.00 0.00 C ATOM 139 CD ARG A 19 9.589 -4.673 -3.464 1.00 0.00 C ATOM 140 NE ARG A 19 10.622 -3.993 -4.295 1.00 0.00 N ATOM 141 CZ ARG A 19 10.947 -4.484 -5.458 1.00 0.00 C ATOM 142 NH1 ARG A 19 10.375 -5.575 -5.887 1.00 0.00 N ATOM 143 NH2 ARG A 19 11.845 -3.887 -6.191 1.00 0.00 N ATOM 0 H ARG A 19 10.046 -2.042 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 19 11.001 -4.771 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.529 -3.064 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.725 -4.799 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.182 -4.859 -1.349 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.121 -3.211 -1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.747 -5.751 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.597 -4.490 -3.877 1.00 0.00 H new ATOM 0 HE ARG A 19 11.074 -3.145 -3.954 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.674 -6.043 -5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.629 -5.960 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.294 -3.035 -5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.099 -4.272 -7.101 1.00 0.00 H new ATOM 157 N ASN A 20 13.550 -4.327 0.306 1.00 0.00 N ATOM 158 CA ASN A 20 14.956 -3.995 0.666 1.00 0.00 C ATOM 159 C ASN A 20 15.513 -3.001 -0.354 1.00 0.00 C ATOM 160 O ASN A 20 16.561 -2.418 -0.159 1.00 0.00 O ATOM 161 CB ASN A 20 15.798 -5.272 0.650 1.00 0.00 C ATOM 162 CG ASN A 20 15.610 -5.989 -0.689 1.00 0.00 C ATOM 163 OD1 ASN A 20 14.887 -6.962 -0.773 1.00 0.00 O ATOM 164 ND2 ASN A 20 16.233 -5.544 -1.746 1.00 0.00 N ATOM 0 H ASN A 20 13.379 -5.310 0.094 1.00 0.00 H new ATOM 0 HA ASN A 20 14.988 -3.553 1.662 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.850 -5.029 0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.502 -5.926 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 20 16.113 -6.013 -2.644 1.00 0.00 H new ATOM 0 HD22 ASN A 20 16.840 -4.727 -1.674 1.00 0.00 H new ATOM 171 N ASN A 21 14.814 -2.798 -1.439 1.00 0.00 N ATOM 172 CA ASN A 21 15.291 -1.840 -2.475 1.00 0.00 C ATOM 173 C ASN A 21 14.760 -0.445 -2.146 1.00 0.00 C ATOM 174 O ASN A 21 15.033 0.515 -2.837 1.00 0.00 O ATOM 175 CB ASN A 21 14.762 -2.277 -3.842 1.00 0.00 C ATOM 176 CG ASN A 21 15.522 -3.517 -4.315 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.722 -3.476 -4.499 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.868 -4.628 -4.521 1.00 0.00 N ATOM 0 H ASN A 21 13.929 -3.258 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 21 16.381 -1.823 -2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.696 -2.494 -3.778 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.880 -1.469 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.365 -5.461 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.860 -4.663 -4.367 1.00 0.00 H new ATOM 185 N GLY A 22 14.000 -0.329 -1.090 1.00 0.00 N ATOM 186 CA GLY A 22 13.445 1.000 -0.706 1.00 0.00 C ATOM 187 C GLY A 22 12.153 1.263 -1.484 1.00 0.00 C ATOM 188 O GLY A 22 11.570 2.325 -1.391 1.00 0.00 O ATOM 0 H GLY A 22 13.739 -1.100 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.248 1.027 0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.173 1.784 -0.916 1.00 0.00 H new ATOM 192 N TYR A 23 11.693 0.304 -2.245 1.00 0.00 N ATOM 193 CA TYR A 23 10.431 0.504 -3.019 1.00 0.00 C ATOM 194 C TYR A 23 9.250 0.129 -2.121 1.00 0.00 C ATOM 195 O TYR A 23 9.273 -0.875 -1.436 1.00 0.00 O ATOM 196 CB TYR A 23 10.451 -0.390 -4.280 1.00 0.00 C ATOM 197 CG TYR A 23 10.935 0.405 -5.476 1.00 0.00 C ATOM 198 CD1 TYR A 23 10.015 1.098 -6.271 1.00 0.00 C ATOM 199 CD2 TYR A 23 12.300 0.449 -5.783 1.00 0.00 C ATOM 200 CE1 TYR A 23 10.458 1.835 -7.375 1.00 0.00 C ATOM 201 CE2 TYR A 23 12.744 1.186 -6.888 1.00 0.00 C ATOM 202 CZ TYR A 23 11.822 1.879 -7.683 1.00 0.00 C ATOM 203 OH TYR A 23 12.262 2.607 -8.771 1.00 0.00 O ATOM 0 H TYR A 23 12.135 -0.607 -2.364 1.00 0.00 H new ATOM 0 HA TYR A 23 10.338 1.544 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.103 -1.248 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.452 -0.781 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.962 1.064 -6.032 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.010 -0.085 -5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.748 2.369 -7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.797 1.220 -7.127 1.00 0.00 H new ATOM 0 HH TYR A 23 13.237 2.532 -8.842 1.00 0.00 H new ATOM 213 N TYR A 24 8.220 0.932 -2.109 1.00 0.00 N ATOM 214 CA TYR A 24 7.047 0.625 -1.244 1.00 0.00 C ATOM 215 C TYR A 24 6.104 -0.344 -1.959 1.00 0.00 C ATOM 216 O TYR A 24 6.043 -0.387 -3.172 1.00 0.00 O ATOM 217 CB TYR A 24 6.311 1.922 -0.931 1.00 0.00 C ATOM 218 CG TYR A 24 7.154 2.745 0.012 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.152 2.458 1.380 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.938 3.790 -0.483 1.00 0.00 C ATOM 221 CE1 TYR A 24 7.935 3.221 2.255 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.721 4.550 0.388 1.00 0.00 C ATOM 223 CZ TYR A 24 8.719 4.269 1.758 1.00 0.00 C ATOM 224 OH TYR A 24 9.492 5.023 2.618 1.00 0.00 O ATOM 0 H TYR A 24 8.141 1.786 -2.661 1.00 0.00 H new ATOM 0 HA TYR A 24 7.389 0.160 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.119 2.478 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.342 1.707 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.547 1.649 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.938 4.010 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.934 3.001 3.312 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.329 5.356 0.003 1.00 0.00 H new ATOM 0 HH TYR A 24 9.974 5.708 2.109 1.00 0.00 H new ATOM 234 N CYS A 25 5.368 -1.125 -1.211 1.00 0.00 N ATOM 235 CA CYS A 25 4.425 -2.101 -1.836 1.00 0.00 C ATOM 236 C CYS A 25 3.239 -2.336 -0.898 1.00 0.00 C ATOM 237 O CYS A 25 3.405 -2.672 0.258 1.00 0.00 O ATOM 238 CB CYS A 25 5.154 -3.425 -2.078 1.00 0.00 C ATOM 239 SG CYS A 25 5.600 -4.169 -0.488 1.00 0.00 S ATOM 0 H CYS A 25 5.379 -1.129 -0.191 1.00 0.00 H new ATOM 0 HA CYS A 25 4.064 -1.704 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.517 -4.105 -2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.049 -3.255 -2.676 1.00 0.00 H new ATOM 0 HG CYS A 25 4.679 -3.901 0.390 1.00 0.00 H new ATOM 245 N TYR A 26 2.038 -2.164 -1.388 1.00 0.00 N ATOM 246 CA TYR A 26 0.830 -2.374 -0.531 1.00 0.00 C ATOM 247 C TYR A 26 0.309 -3.800 -0.730 1.00 0.00 C ATOM 248 O TYR A 26 0.468 -4.377 -1.786 1.00 0.00 O ATOM 249 CB TYR A 26 -0.251 -1.377 -0.946 1.00 0.00 C ATOM 250 CG TYR A 26 -1.396 -1.433 0.033 1.00 0.00 C ATOM 251 CD1 TYR A 26 -2.426 -2.364 -0.148 1.00 0.00 C ATOM 252 CD2 TYR A 26 -1.429 -0.552 1.120 1.00 0.00 C ATOM 253 CE1 TYR A 26 -3.489 -2.413 0.758 1.00 0.00 C ATOM 254 CE2 TYR A 26 -2.494 -0.602 2.027 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.524 -1.531 1.846 1.00 0.00 C ATOM 256 OH TYR A 26 -4.573 -1.581 2.740 1.00 0.00 O ATOM 0 H TYR A 26 1.840 -1.886 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 26 1.088 -2.225 0.517 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.163 -0.369 -0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.607 -1.608 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.399 -3.044 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.634 0.165 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.284 -3.131 0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.520 0.077 2.867 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.443 -0.903 3.436 1.00 0.00 H new ATOM 266 N ARG A 27 -0.307 -4.375 0.282 1.00 0.00 N ATOM 267 CA ARG A 27 -0.837 -5.779 0.154 1.00 0.00 C ATOM 268 C ARG A 27 -2.363 -5.790 0.254 1.00 0.00 C ATOM 269 O ARG A 27 -2.934 -5.470 1.278 1.00 0.00 O ATOM 270 CB ARG A 27 -0.259 -6.653 1.272 1.00 0.00 C ATOM 271 CG ARG A 27 -0.837 -8.078 1.170 1.00 0.00 C ATOM 272 CD ARG A 27 0.141 -9.085 1.783 1.00 0.00 C ATOM 273 NE ARG A 27 1.295 -9.282 0.859 1.00 0.00 N ATOM 274 CZ ARG A 27 2.382 -9.862 1.287 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.450 -10.284 2.520 1.00 0.00 N ATOM 276 NH2 ARG A 27 3.398 -10.023 0.485 1.00 0.00 N ATOM 0 H ARG A 27 -0.466 -3.935 1.189 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.540 -6.171 -0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.828 -6.685 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.498 -6.222 2.244 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.795 -8.128 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.024 -8.330 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.493 -8.725 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.363 -10.035 1.961 1.00 0.00 H new ATOM 0 HE ARG A 27 1.234 -8.963 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.654 -10.160 3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.299 -10.738 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.344 -9.695 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.247 -10.477 0.822 1.00 0.00 H new ATOM 290 N ASP A 28 -3.026 -6.174 -0.804 1.00 0.00 N ATOM 291 CA ASP A 28 -4.516 -6.230 -0.781 1.00 0.00 C ATOM 292 C ASP A 28 -4.960 -7.479 0.013 1.00 0.00 C ATOM 293 O ASP A 28 -4.458 -8.560 -0.228 1.00 0.00 O ATOM 294 CB ASP A 28 -5.025 -6.332 -2.219 1.00 0.00 C ATOM 295 CG ASP A 28 -4.776 -5.007 -2.943 1.00 0.00 C ATOM 296 OD1 ASP A 28 -4.055 -4.187 -2.401 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.312 -4.837 -4.026 1.00 0.00 O ATOM 0 H ASP A 28 -2.597 -6.452 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.921 -5.335 -0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.517 -7.144 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.089 -6.567 -2.224 1.00 0.00 H new ATOM 302 N PRO A 29 -5.883 -7.360 0.953 1.00 0.00 N ATOM 303 CA PRO A 29 -6.352 -8.532 1.758 1.00 0.00 C ATOM 304 C PRO A 29 -7.397 -9.395 1.030 1.00 0.00 C ATOM 305 O PRO A 29 -7.764 -10.455 1.501 1.00 0.00 O ATOM 306 CB PRO A 29 -6.969 -7.873 2.994 1.00 0.00 C ATOM 307 CG PRO A 29 -7.526 -6.584 2.484 1.00 0.00 C ATOM 308 CD PRO A 29 -6.579 -6.121 1.366 1.00 0.00 C ATOM 0 HA PRO A 29 -5.537 -9.223 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.748 -8.498 3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.222 -7.705 3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.539 -6.720 2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.581 -5.841 3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.128 -5.676 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.876 -5.368 1.724 1.00 0.00 H new ATOM 316 N ARG A 30 -7.882 -8.967 -0.107 1.00 0.00 N ATOM 317 CA ARG A 30 -8.898 -9.790 -0.833 1.00 0.00 C ATOM 318 C ARG A 30 -8.174 -10.813 -1.712 1.00 0.00 C ATOM 319 O ARG A 30 -8.744 -11.802 -2.130 1.00 0.00 O ATOM 320 CB ARG A 30 -9.781 -8.892 -1.704 1.00 0.00 C ATOM 321 CG ARG A 30 -8.911 -8.109 -2.686 1.00 0.00 C ATOM 322 CD ARG A 30 -9.786 -7.145 -3.487 1.00 0.00 C ATOM 323 NE ARG A 30 -11.033 -7.844 -3.904 1.00 0.00 N ATOM 324 CZ ARG A 30 -12.048 -7.159 -4.355 1.00 0.00 C ATOM 325 NH1 ARG A 30 -11.969 -5.860 -4.454 1.00 0.00 N ATOM 326 NH2 ARG A 30 -13.143 -7.775 -4.707 1.00 0.00 N ATOM 0 H ARG A 30 -7.622 -8.092 -0.562 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.531 -10.305 -0.110 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.506 -9.497 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.347 -8.204 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.142 -7.556 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.397 -8.795 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.030 -6.270 -2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.245 -6.787 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.094 -8.860 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.113 -5.379 -4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.763 -5.326 -4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.205 -8.790 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.937 -7.241 -5.060 1.00 0.00 H new ATOM 340 N THR A 31 -6.912 -10.583 -1.979 1.00 0.00 N ATOM 341 CA THR A 31 -6.113 -11.536 -2.814 1.00 0.00 C ATOM 342 C THR A 31 -4.799 -11.843 -2.088 1.00 0.00 C ATOM 343 O THR A 31 -4.224 -12.902 -2.246 1.00 0.00 O ATOM 344 CB THR A 31 -5.817 -10.907 -4.180 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.815 -11.666 -4.841 1.00 0.00 O ATOM 346 CG2 THR A 31 -5.331 -9.470 -3.994 1.00 0.00 C ATOM 0 H THR A 31 -6.395 -9.767 -1.651 1.00 0.00 H new ATOM 0 HA THR A 31 -6.676 -12.457 -2.966 1.00 0.00 H new ATOM 0 HB THR A 31 -6.727 -10.902 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.625 -11.266 -5.715 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.122 -9.028 -4.968 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.102 -8.888 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.422 -9.468 -3.392 1.00 0.00 H new ATOM 354 N GLY A 32 -4.329 -10.930 -1.279 1.00 0.00 N ATOM 355 CA GLY A 32 -3.064 -11.170 -0.525 1.00 0.00 C ATOM 356 C GLY A 32 -1.853 -10.837 -1.398 1.00 0.00 C ATOM 357 O GLY A 32 -0.723 -10.908 -0.954 1.00 0.00 O ATOM 0 H GLY A 32 -4.769 -10.026 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.049 -10.559 0.377 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.015 -12.211 -0.206 1.00 0.00 H new ATOM 361 N LYS A 33 -2.067 -10.480 -2.635 1.00 0.00 N ATOM 362 CA LYS A 33 -0.911 -10.152 -3.516 1.00 0.00 C ATOM 363 C LYS A 33 -0.360 -8.769 -3.137 1.00 0.00 C ATOM 364 O LYS A 33 -0.811 -8.152 -2.192 1.00 0.00 O ATOM 365 CB LYS A 33 -1.370 -10.173 -4.998 1.00 0.00 C ATOM 366 CG LYS A 33 -0.606 -11.250 -5.789 1.00 0.00 C ATOM 367 CD LYS A 33 0.850 -10.816 -6.001 1.00 0.00 C ATOM 368 CE LYS A 33 1.497 -11.716 -7.056 1.00 0.00 C ATOM 369 NZ LYS A 33 0.726 -11.620 -8.328 1.00 0.00 N ATOM 0 H LYS A 33 -2.986 -10.402 -3.071 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.120 -10.891 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.441 -10.368 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.202 -9.195 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.636 -12.197 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.088 -11.415 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.888 -9.775 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.401 -10.881 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.532 -11.416 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.517 -12.748 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.371 -11.740 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.001 -12.365 -8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.268 -10.688 -8.387 1.00 0.00 H new ATOM 383 N GLU A 34 0.621 -8.287 -3.866 1.00 0.00 N ATOM 384 CA GLU A 34 1.224 -6.949 -3.557 1.00 0.00 C ATOM 385 C GLU A 34 0.975 -5.975 -4.713 1.00 0.00 C ATOM 386 O GLU A 34 0.529 -6.353 -5.778 1.00 0.00 O ATOM 387 CB GLU A 34 2.732 -7.117 -3.358 1.00 0.00 C ATOM 388 CG GLU A 34 2.988 -8.061 -2.182 1.00 0.00 C ATOM 389 CD GLU A 34 4.476 -8.415 -2.125 1.00 0.00 C ATOM 390 OE1 GLU A 34 5.251 -7.562 -1.725 1.00 0.00 O ATOM 391 OE2 GLU A 34 4.812 -9.530 -2.483 1.00 0.00 O ATOM 0 H GLU A 34 1.032 -8.767 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 34 0.766 -6.550 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.187 -7.516 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.195 -6.149 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.680 -7.589 -1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.392 -8.967 -2.293 1.00 0.00 H new ATOM 398 N PHE A 35 1.271 -4.718 -4.500 1.00 0.00 N ATOM 399 CA PHE A 35 1.071 -3.685 -5.563 1.00 0.00 C ATOM 400 C PHE A 35 2.293 -2.756 -5.574 1.00 0.00 C ATOM 401 O PHE A 35 2.622 -2.139 -4.581 1.00 0.00 O ATOM 402 CB PHE A 35 -0.200 -2.868 -5.247 1.00 0.00 C ATOM 403 CG PHE A 35 -1.414 -3.505 -5.895 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.950 -4.689 -5.374 1.00 0.00 C ATOM 405 CD2 PHE A 35 -2.006 -2.904 -7.015 1.00 0.00 C ATOM 406 CE1 PHE A 35 -3.076 -5.271 -5.970 1.00 0.00 C ATOM 407 CE2 PHE A 35 -3.130 -3.486 -7.611 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.666 -4.670 -7.088 1.00 0.00 C ATOM 0 H PHE A 35 1.648 -4.358 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 35 0.957 -4.161 -6.537 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.344 -2.811 -4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.082 -1.846 -5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.495 -5.154 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.594 -1.991 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.489 -6.184 -5.567 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.584 -3.023 -8.474 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.534 -5.119 -7.547 1.00 0.00 H new ATOM 418 N GLY A 36 2.971 -2.656 -6.686 1.00 0.00 N ATOM 419 CA GLY A 36 4.172 -1.771 -6.753 1.00 0.00 C ATOM 420 C GLY A 36 3.733 -0.312 -6.897 1.00 0.00 C ATOM 421 O GLY A 36 3.013 0.041 -7.811 1.00 0.00 O ATOM 0 H GLY A 36 2.746 -3.148 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.775 -1.892 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.799 -2.057 -7.597 1.00 0.00 H new ATOM 425 N LEU A 37 4.162 0.540 -5.996 1.00 0.00 N ATOM 426 CA LEU A 37 3.775 1.986 -6.065 1.00 0.00 C ATOM 427 C LEU A 37 4.962 2.811 -6.568 1.00 0.00 C ATOM 428 O LEU A 37 4.952 3.338 -7.663 1.00 0.00 O ATOM 429 CB LEU A 37 3.381 2.482 -4.664 1.00 0.00 C ATOM 430 CG LEU A 37 2.566 1.413 -3.935 1.00 0.00 C ATOM 431 CD1 LEU A 37 2.134 1.942 -2.564 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.323 1.060 -4.760 1.00 0.00 C ATOM 0 H LEU A 37 4.767 0.295 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 37 2.932 2.098 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.276 2.722 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.799 3.400 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 37 3.179 0.521 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.553 1.179 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.017 2.189 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.524 2.836 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.744 0.298 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.711 1.952 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.629 0.679 -5.734 1.00 0.00 H new ATOM 444 N GLY A 38 5.978 2.929 -5.763 1.00 0.00 N ATOM 445 CA GLY A 38 7.174 3.722 -6.159 1.00 0.00 C ATOM 446 C GLY A 38 7.972 4.069 -4.902 1.00 0.00 C ATOM 447 O GLY A 38 7.626 3.660 -3.813 1.00 0.00 O ATOM 0 H GLY A 38 6.032 2.505 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.792 3.152 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.869 4.632 -6.676 1.00 0.00 H new ATOM 451 N ARG A 39 9.042 4.802 -5.039 1.00 0.00 N ATOM 452 CA ARG A 39 9.873 5.160 -3.850 1.00 0.00 C ATOM 453 C ARG A 39 9.383 6.483 -3.245 1.00 0.00 C ATOM 454 O ARG A 39 10.003 7.040 -2.360 1.00 0.00 O ATOM 455 CB ARG A 39 11.329 5.315 -4.306 1.00 0.00 C ATOM 456 CG ARG A 39 11.596 4.373 -5.484 1.00 0.00 C ATOM 457 CD ARG A 39 13.079 4.379 -5.824 1.00 0.00 C ATOM 458 NE ARG A 39 13.594 5.787 -5.859 1.00 0.00 N ATOM 459 CZ ARG A 39 13.077 6.686 -6.656 1.00 0.00 C ATOM 460 NH1 ARG A 39 12.211 6.341 -7.569 1.00 0.00 N ATOM 461 NH2 ARG A 39 13.468 7.928 -6.574 1.00 0.00 N ATOM 0 H ARG A 39 9.380 5.172 -5.928 1.00 0.00 H new ATOM 0 HA ARG A 39 9.793 4.378 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.522 6.347 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.006 5.087 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.275 3.362 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.014 4.686 -6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.632 3.800 -5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.241 3.900 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 39 14.366 6.050 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.933 5.364 -7.665 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.812 7.048 -8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.175 8.196 -5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.066 8.631 -7.194 1.00 0.00 H new ATOM 475 N ASP A 40 8.288 6.996 -3.729 1.00 0.00 N ATOM 476 CA ASP A 40 7.760 8.292 -3.202 1.00 0.00 C ATOM 477 C ASP A 40 6.709 8.034 -2.120 1.00 0.00 C ATOM 478 O ASP A 40 5.624 7.565 -2.399 1.00 0.00 O ATOM 479 CB ASP A 40 7.102 9.065 -4.348 1.00 0.00 C ATOM 480 CG ASP A 40 8.180 9.586 -5.301 1.00 0.00 C ATOM 481 OD1 ASP A 40 9.190 10.068 -4.815 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.978 9.492 -6.500 1.00 0.00 O ATOM 0 H ASP A 40 7.730 6.574 -4.471 1.00 0.00 H new ATOM 0 HA ASP A 40 8.584 8.865 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.409 8.418 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.520 9.897 -3.952 1.00 0.00 H new ATOM 487 N ARG A 41 7.012 8.355 -0.889 1.00 0.00 N ATOM 488 CA ARG A 41 6.015 8.142 0.200 1.00 0.00 C ATOM 489 C ARG A 41 4.789 9.008 -0.073 1.00 0.00 C ATOM 490 O ARG A 41 3.739 8.812 0.495 1.00 0.00 O ATOM 491 CB ARG A 41 6.615 8.537 1.557 1.00 0.00 C ATOM 492 CG ARG A 41 7.806 7.611 1.912 1.00 0.00 C ATOM 493 CD ARG A 41 7.798 7.243 3.411 1.00 0.00 C ATOM 494 NE ARG A 41 7.190 8.342 4.223 1.00 0.00 N ATOM 495 CZ ARG A 41 7.547 9.590 4.063 1.00 0.00 C ATOM 496 NH1 ARG A 41 8.581 9.897 3.329 1.00 0.00 N ATOM 497 NH2 ARG A 41 6.897 10.534 4.687 1.00 0.00 N ATOM 0 H ARG A 41 7.903 8.754 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 41 5.737 7.088 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.949 9.574 1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.852 8.471 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.756 6.703 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.744 8.107 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.237 6.321 3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.817 7.055 3.750 1.00 0.00 H new ATOM 0 HE ARG A 41 6.480 8.113 4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.120 9.160 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.851 10.874 3.211 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.114 10.297 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.172 11.509 4.565 1.00 0.00 H new ATOM 511 N ARG A 42 4.919 9.963 -0.946 1.00 0.00 N ATOM 512 CA ARG A 42 3.768 10.847 -1.270 1.00 0.00 C ATOM 513 C ARG A 42 2.787 10.069 -2.135 1.00 0.00 C ATOM 514 O ARG A 42 1.594 10.073 -1.909 1.00 0.00 O ATOM 515 CB ARG A 42 4.262 12.079 -2.033 1.00 0.00 C ATOM 516 CG ARG A 42 5.422 12.730 -1.271 1.00 0.00 C ATOM 517 CD ARG A 42 4.934 13.241 0.091 1.00 0.00 C ATOM 518 NE ARG A 42 5.874 14.285 0.590 1.00 0.00 N ATOM 519 CZ ARG A 42 5.519 15.069 1.571 1.00 0.00 C ATOM 520 NH1 ARG A 42 4.346 14.933 2.125 1.00 0.00 N ATOM 521 NH2 ARG A 42 6.340 15.988 2.001 1.00 0.00 N ATOM 0 H ARG A 42 5.779 10.171 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 42 3.279 11.173 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.587 11.793 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.448 12.794 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.226 12.008 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.832 13.555 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.929 13.654 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.876 12.417 0.802 1.00 0.00 H new ATOM 0 HE ARG A 42 6.795 14.387 0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.705 14.213 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.070 15.546 2.892 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.259 16.093 1.570 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.063 16.601 2.768 1.00 0.00 H new ATOM 535 N ILE A 43 3.294 9.400 -3.132 1.00 0.00 N ATOM 536 CA ILE A 43 2.413 8.615 -4.031 1.00 0.00 C ATOM 537 C ILE A 43 2.105 7.265 -3.384 1.00 0.00 C ATOM 538 O ILE A 43 1.003 6.767 -3.461 1.00 0.00 O ATOM 539 CB ILE A 43 3.122 8.396 -5.370 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.270 9.738 -6.093 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.302 7.434 -6.236 1.00 0.00 C ATOM 542 CD1 ILE A 43 4.303 9.606 -7.215 1.00 0.00 C ATOM 0 H ILE A 43 4.287 9.365 -3.362 1.00 0.00 H new ATOM 0 HA ILE A 43 1.482 9.156 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 43 4.108 7.968 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.310 10.049 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.580 10.510 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.809 7.280 -7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.199 6.479 -5.721 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.314 7.858 -6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.407 10.562 -7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.264 9.315 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.974 8.847 -7.925 1.00 0.00 H new ATOM 554 N ALA A 44 3.072 6.667 -2.753 1.00 0.00 N ATOM 555 CA ALA A 44 2.830 5.348 -2.111 1.00 0.00 C ATOM 556 C ALA A 44 1.787 5.500 -0.996 1.00 0.00 C ATOM 557 O ALA A 44 0.753 4.861 -1.017 1.00 0.00 O ATOM 558 CB ALA A 44 4.160 4.824 -1.547 1.00 0.00 C ATOM 0 H ALA A 44 4.019 7.033 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 44 2.446 4.636 -2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.998 3.856 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.881 4.715 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.546 5.529 -0.811 1.00 0.00 H new ATOM 564 N ILE A 45 2.039 6.335 -0.028 1.00 0.00 N ATOM 565 CA ILE A 45 1.048 6.511 1.072 1.00 0.00 C ATOM 566 C ILE A 45 -0.307 6.904 0.476 1.00 0.00 C ATOM 567 O ILE A 45 -1.348 6.481 0.941 1.00 0.00 O ATOM 568 CB ILE A 45 1.520 7.607 2.030 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.835 7.175 2.687 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.457 7.831 3.106 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.423 8.338 3.490 1.00 0.00 C ATOM 0 H ILE A 45 2.884 6.901 0.050 1.00 0.00 H new ATOM 0 HA ILE A 45 0.951 5.574 1.621 1.00 0.00 H new ATOM 0 HB ILE A 45 1.678 8.534 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.661 6.321 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.544 6.853 1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.791 8.611 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.478 8.136 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.300 6.906 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.358 8.024 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.614 9.180 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.717 8.640 4.264 1.00 0.00 H new ATOM 583 N THR A 46 -0.304 7.708 -0.552 1.00 0.00 N ATOM 584 CA THR A 46 -1.592 8.125 -1.180 1.00 0.00 C ATOM 585 C THR A 46 -2.388 6.880 -1.594 1.00 0.00 C ATOM 586 O THR A 46 -3.513 6.684 -1.182 1.00 0.00 O ATOM 587 CB THR A 46 -1.284 9.004 -2.411 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.106 10.349 -1.990 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.432 8.943 -3.431 1.00 0.00 C ATOM 0 H THR A 46 0.535 8.095 -0.985 1.00 0.00 H new ATOM 0 HA THR A 46 -2.189 8.697 -0.470 1.00 0.00 H new ATOM 0 HB THR A 46 -0.377 8.631 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.150 10.532 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.190 9.571 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.570 7.914 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.351 9.301 -2.967 1.00 0.00 H new ATOM 597 N GLU A 47 -1.813 6.054 -2.419 1.00 0.00 N ATOM 598 CA GLU A 47 -2.527 4.830 -2.891 1.00 0.00 C ATOM 599 C GLU A 47 -2.854 3.929 -1.704 1.00 0.00 C ATOM 600 O GLU A 47 -3.932 3.378 -1.605 1.00 0.00 O ATOM 601 CB GLU A 47 -1.626 4.061 -3.859 1.00 0.00 C ATOM 602 CG GLU A 47 -1.159 4.982 -4.986 1.00 0.00 C ATOM 603 CD GLU A 47 -2.295 5.192 -5.990 1.00 0.00 C ATOM 604 OE1 GLU A 47 -2.565 4.274 -6.747 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.874 6.265 -5.983 1.00 0.00 O ATOM 0 H GLU A 47 -0.871 6.172 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.450 5.126 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.764 3.660 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.167 3.211 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.842 5.941 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.294 4.548 -5.488 1.00 0.00 H new ATOM 612 N ALA A 48 -1.927 3.772 -0.808 1.00 0.00 N ATOM 613 CA ALA A 48 -2.177 2.898 0.375 1.00 0.00 C ATOM 614 C ALA A 48 -3.470 3.337 1.073 1.00 0.00 C ATOM 615 O ALA A 48 -4.257 2.522 1.513 1.00 0.00 O ATOM 616 CB ALA A 48 -1.005 3.021 1.351 1.00 0.00 C ATOM 0 H ALA A 48 -1.006 4.209 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.275 1.863 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.184 2.384 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.085 2.710 0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.910 4.057 1.677 1.00 0.00 H new ATOM 622 N ILE A 49 -3.693 4.618 1.178 1.00 0.00 N ATOM 623 CA ILE A 49 -4.932 5.117 1.848 1.00 0.00 C ATOM 624 C ILE A 49 -6.176 4.675 1.067 1.00 0.00 C ATOM 625 O ILE A 49 -7.161 4.257 1.643 1.00 0.00 O ATOM 626 CB ILE A 49 -4.876 6.648 1.933 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.844 7.047 2.987 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.246 7.209 2.334 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.533 8.538 2.860 1.00 0.00 C ATOM 0 H ILE A 49 -3.069 5.345 0.828 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.993 4.699 2.853 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.599 7.051 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.225 6.828 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.933 6.463 2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.192 8.296 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.989 6.921 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.532 6.809 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.797 8.821 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.134 8.743 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.446 9.114 3.011 1.00 0.00 H new ATOM 641 N GLN A 50 -6.146 4.767 -0.233 1.00 0.00 N ATOM 642 CA GLN A 50 -7.339 4.355 -1.031 1.00 0.00 C ATOM 643 C GLN A 50 -7.630 2.884 -0.756 1.00 0.00 C ATOM 644 O GLN A 50 -8.764 2.448 -0.762 1.00 0.00 O ATOM 645 CB GLN A 50 -7.060 4.544 -2.526 1.00 0.00 C ATOM 646 CG GLN A 50 -6.356 5.879 -2.749 1.00 0.00 C ATOM 647 CD GLN A 50 -6.233 6.148 -4.251 1.00 0.00 C ATOM 648 OE1 GLN A 50 -5.664 5.356 -4.976 1.00 0.00 O ATOM 649 NE2 GLN A 50 -6.747 7.238 -4.752 1.00 0.00 N ATOM 0 H GLN A 50 -5.353 5.107 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.195 4.968 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.440 3.728 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.994 4.515 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.916 6.682 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.368 5.862 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.225 7.903 -4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.671 7.425 -5.752 1.00 0.00 H new ATOM 658 N ALA A 51 -6.609 2.119 -0.510 1.00 0.00 N ATOM 659 CA ALA A 51 -6.815 0.675 -0.226 1.00 0.00 C ATOM 660 C ALA A 51 -7.588 0.531 1.083 1.00 0.00 C ATOM 661 O ALA A 51 -8.416 -0.343 1.236 1.00 0.00 O ATOM 662 CB ALA A 51 -5.458 -0.021 -0.102 1.00 0.00 C ATOM 0 H ALA A 51 -5.638 2.431 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.379 0.216 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.610 -1.080 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.906 0.090 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.890 0.431 0.711 1.00 0.00 H new ATOM 668 N ASN A 52 -7.322 1.387 2.033 1.00 0.00 N ATOM 669 CA ASN A 52 -8.036 1.305 3.334 1.00 0.00 C ATOM 670 C ASN A 52 -9.515 1.645 3.138 1.00 0.00 C ATOM 671 O ASN A 52 -10.381 1.059 3.757 1.00 0.00 O ATOM 672 CB ASN A 52 -7.405 2.302 4.309 1.00 0.00 C ATOM 673 CG ASN A 52 -6.105 1.721 4.873 1.00 0.00 C ATOM 674 OD1 ASN A 52 -6.122 0.719 5.559 1.00 0.00 O ATOM 675 ND2 ASN A 52 -4.973 2.315 4.613 1.00 0.00 N ATOM 0 H ASN A 52 -6.638 2.141 1.961 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.956 0.294 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.203 3.244 3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.099 2.521 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.102 1.938 4.986 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.959 3.157 4.037 1.00 0.00 H new ATOM 682 N ILE A 53 -9.814 2.583 2.287 1.00 0.00 N ATOM 683 CA ILE A 53 -11.242 2.947 2.069 1.00 0.00 C ATOM 684 C ILE A 53 -11.954 1.781 1.390 1.00 0.00 C ATOM 685 O ILE A 53 -13.150 1.611 1.522 1.00 0.00 O ATOM 686 CB ILE A 53 -11.329 4.193 1.185 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.548 5.331 1.847 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.796 4.603 1.021 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.539 6.555 0.929 1.00 0.00 C ATOM 0 H ILE A 53 -9.138 3.111 1.735 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.717 3.159 3.027 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.905 3.979 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.001 5.587 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.526 5.012 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.858 5.491 0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.352 3.789 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.224 4.822 1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.982 7.362 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.065 6.296 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.563 6.880 0.746 1.00 0.00 H new ATOM 701 N GLU A 54 -11.230 0.968 0.674 1.00 0.00 N ATOM 702 CA GLU A 54 -11.872 -0.193 0.002 1.00 0.00 C ATOM 703 C GLU A 54 -12.294 -1.204 1.068 1.00 0.00 C ATOM 704 O GLU A 54 -13.294 -1.881 0.936 1.00 0.00 O ATOM 705 CB GLU A 54 -10.877 -0.844 -0.967 1.00 0.00 C ATOM 706 CG GLU A 54 -10.824 -0.042 -2.270 1.00 0.00 C ATOM 707 CD GLU A 54 -9.804 -0.677 -3.217 1.00 0.00 C ATOM 708 OE1 GLU A 54 -8.711 -0.976 -2.764 1.00 0.00 O ATOM 709 OE2 GLU A 54 -10.134 -0.856 -4.378 1.00 0.00 O ATOM 0 H GLU A 54 -10.225 1.057 0.526 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.745 0.138 -0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.887 -0.885 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.175 -1.872 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.808 -0.022 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.549 0.992 -2.062 1.00 0.00 H new ATOM 716 N LEU A 55 -11.539 -1.314 2.129 1.00 0.00 N ATOM 717 CA LEU A 55 -11.905 -2.280 3.201 1.00 0.00 C ATOM 718 C LEU A 55 -13.212 -1.841 3.863 1.00 0.00 C ATOM 719 O LEU A 55 -14.061 -2.651 4.180 1.00 0.00 O ATOM 720 CB LEU A 55 -10.785 -2.336 4.246 1.00 0.00 C ATOM 721 CG LEU A 55 -9.426 -2.511 3.561 1.00 0.00 C ATOM 722 CD1 LEU A 55 -8.372 -2.848 4.617 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.492 -3.647 2.530 1.00 0.00 C ATOM 0 H LEU A 55 -10.688 -0.778 2.298 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.039 -3.271 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.786 -1.421 4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.962 -3.162 4.934 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.162 -1.585 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.402 -2.974 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.314 -2.038 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.648 -3.772 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.520 -3.760 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.761 -4.577 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.243 -3.411 1.776 1.00 0.00 H new ATOM 735 N PHE A 56 -13.383 -0.566 4.077 1.00 0.00 N ATOM 736 CA PHE A 56 -14.640 -0.079 4.718 1.00 0.00 C ATOM 737 C PHE A 56 -15.742 0.019 3.662 1.00 0.00 C ATOM 738 O PHE A 56 -16.859 0.404 3.950 1.00 0.00 O ATOM 739 CB PHE A 56 -14.396 1.303 5.339 1.00 0.00 C ATOM 740 CG PHE A 56 -13.644 1.149 6.642 1.00 0.00 C ATOM 741 CD1 PHE A 56 -12.257 0.965 6.633 1.00 0.00 C ATOM 742 CD2 PHE A 56 -14.338 1.185 7.858 1.00 0.00 C ATOM 743 CE1 PHE A 56 -11.562 0.817 7.840 1.00 0.00 C ATOM 744 CE2 PHE A 56 -13.644 1.038 9.065 1.00 0.00 C ATOM 745 CZ PHE A 56 -12.257 0.853 9.056 1.00 0.00 C ATOM 0 H PHE A 56 -12.708 0.160 3.837 1.00 0.00 H new ATOM 0 HA PHE A 56 -14.946 -0.776 5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -13.826 1.927 4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -15.346 1.807 5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.722 0.937 5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.409 1.326 7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.491 0.675 7.833 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -14.179 1.067 10.003 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.722 0.738 9.987 1.00 0.00 H new ATOM 755 N SER A 57 -15.439 -0.329 2.442 1.00 0.00 N ATOM 756 CA SER A 57 -16.468 -0.258 1.368 1.00 0.00 C ATOM 757 C SER A 57 -15.983 -1.048 0.152 1.00 0.00 C ATOM 758 O SER A 57 -15.939 -0.544 -0.952 1.00 0.00 O ATOM 759 CB SER A 57 -16.694 1.201 0.972 1.00 0.00 C ATOM 760 OG SER A 57 -17.236 1.909 2.079 1.00 0.00 O ATOM 0 H SER A 57 -14.522 -0.660 2.143 1.00 0.00 H new ATOM 0 HA SER A 57 -17.404 -0.683 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.753 1.655 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.373 1.258 0.121 1.00 0.00 H new ATOM 0 HG SER A 57 -17.529 1.272 2.763 1.00 0.00 H new ATOM 766 N GLY A 58 -15.619 -2.287 0.347 1.00 0.00 N ATOM 767 CA GLY A 58 -15.136 -3.110 -0.797 1.00 0.00 C ATOM 768 C GLY A 58 -16.318 -3.487 -1.690 1.00 0.00 C ATOM 769 O GLY A 58 -17.260 -4.119 -1.256 1.00 0.00 O ATOM 0 H GLY A 58 -15.636 -2.764 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.395 -2.554 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.643 -4.010 -0.429 1.00 0.00 H new ATOM 773 N HIS A 59 -16.276 -3.103 -2.936 1.00 0.00 N ATOM 774 CA HIS A 59 -17.397 -3.438 -3.858 1.00 0.00 C ATOM 775 C HIS A 59 -17.507 -4.958 -3.996 1.00 0.00 C ATOM 776 O HIS A 59 -16.534 -5.642 -4.241 1.00 0.00 O ATOM 777 CB HIS A 59 -17.131 -2.819 -5.231 1.00 0.00 C ATOM 778 CG HIS A 59 -16.815 -1.358 -5.068 1.00 0.00 C ATOM 779 ND1 HIS A 59 -15.849 -0.720 -5.831 1.00 0.00 N ATOM 780 CD2 HIS A 59 -17.326 -0.397 -4.230 1.00 0.00 C ATOM 781 CE1 HIS A 59 -15.809 0.568 -5.440 1.00 0.00 C ATOM 782 NE2 HIS A 59 -16.689 0.818 -4.467 1.00 0.00 N ATOM 0 H HIS A 59 -15.513 -2.571 -3.356 1.00 0.00 H new ATOM 0 HA HIS A 59 -18.329 -3.041 -3.456 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.300 -3.330 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.003 -2.944 -5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -18.104 -0.559 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.146 1.309 -5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -16.858 1.708 -3.998 1.00 0.00 H new TER 790 HIS A 59