USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 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 12 SER OG : rot -69:sc= 1.02 USER MOD Set 1.2: A 15 HIS :FLIP no HD1:sc= -1.68 F(o=-1.6,f=-0.66) USER MOD Single : A 3 GLN : amide:sc= -1.74 K(o=-1.7,f=-3.5!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 20 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 24 GLN : amide:sc= -0.0184 X(o=-0.018,f=0) USER MOD Single : A 25 THR OG1 : rot 83:sc= 0.574 USER MOD Single : A 27 SER OG : rot -83:sc= 1.14 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.63! USER MOD Single : A 38 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.961 K(o=-0.96,f=-4.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 81:sc= 0.0648 USER MOD Single : A 64 SER OG : rot 40:sc= 0.337 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -4.7 K(o=-4.7,f=-16!) USER MOD Single : A 80 THR OG1 : rot 39:sc= 0.977 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -59:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.091 -2.090 11.188 1.00 0.00 N ATOM 2 CA ALA A 2 10.206 -1.803 9.728 1.00 0.00 C ATOM 3 C ALA A 2 8.810 -1.588 9.143 1.00 0.00 C ATOM 4 O ALA A 2 8.164 -2.519 8.697 1.00 0.00 O ATOM 5 CB ALA A 2 10.877 -2.986 9.027 1.00 0.00 C ATOM 0 HA ALA A 2 10.806 -0.906 9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.961 -2.777 7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.871 -3.141 9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.277 -3.884 9.174 1.00 0.00 H new ATOM 11 N GLN A 3 8.338 -0.368 9.147 1.00 0.00 N ATOM 12 CA GLN A 3 6.980 -0.080 8.597 1.00 0.00 C ATOM 13 C GLN A 3 6.703 1.421 8.675 1.00 0.00 C ATOM 14 O GLN A 3 7.215 2.113 9.536 1.00 0.00 O ATOM 15 CB GLN A 3 5.923 -0.834 9.412 1.00 0.00 C ATOM 16 CG GLN A 3 6.085 -0.512 10.902 1.00 0.00 C ATOM 17 CD GLN A 3 5.299 0.758 11.238 1.00 0.00 C ATOM 18 OE1 GLN A 3 4.266 1.019 10.657 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.751 1.564 12.161 1.00 0.00 N ATOM 0 H GLN A 3 8.837 0.444 9.509 1.00 0.00 H new ATOM 0 HA GLN A 3 6.938 -0.405 7.557 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.924 -0.553 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.024 -1.907 9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 3 5.726 -1.345 11.506 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.139 -0.375 11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.619 1.344 12.649 1.00 0.00 H new ATOM 0 HE22 GLN A 3 5.236 2.413 12.394 1.00 0.00 H new ATOM 28 N LYS A 4 5.891 1.923 7.784 1.00 0.00 N ATOM 29 CA LYS A 4 5.561 3.377 7.792 1.00 0.00 C ATOM 30 C LYS A 4 4.041 3.540 7.762 1.00 0.00 C ATOM 31 O LYS A 4 3.313 2.573 7.665 1.00 0.00 O ATOM 32 CB LYS A 4 6.176 4.046 6.555 1.00 0.00 C ATOM 33 CG LYS A 4 6.725 5.424 6.932 1.00 0.00 C ATOM 34 CD LYS A 4 7.532 5.989 5.763 1.00 0.00 C ATOM 35 CE LYS A 4 7.944 7.429 6.075 1.00 0.00 C ATOM 36 NZ LYS A 4 9.266 7.429 6.763 1.00 0.00 N ATOM 0 H LYS A 4 5.439 1.384 7.046 1.00 0.00 H new ATOM 0 HA LYS A 4 5.963 3.845 8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.975 3.423 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.424 4.145 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.905 6.098 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.355 5.346 7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.416 5.376 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.938 5.959 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.001 8.010 5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.193 7.905 6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.547 8.408 6.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.196 6.889 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.979 6.991 6.145 1.00 0.00 H new ATOM 50 N THR A 5 3.558 4.752 7.842 1.00 0.00 N ATOM 51 CA THR A 5 2.084 4.977 7.814 1.00 0.00 C ATOM 52 C THR A 5 1.754 6.009 6.734 1.00 0.00 C ATOM 53 O THR A 5 2.588 6.815 6.365 1.00 0.00 O ATOM 54 CB THR A 5 1.617 5.495 9.176 1.00 0.00 C ATOM 55 OG1 THR A 5 2.072 4.617 10.196 1.00 0.00 O ATOM 56 CG2 THR A 5 0.089 5.562 9.201 1.00 0.00 C ATOM 0 H THR A 5 4.123 5.597 7.926 1.00 0.00 H new ATOM 0 HA THR A 5 1.575 4.039 7.593 1.00 0.00 H new ATOM 0 HB THR A 5 2.025 6.491 9.346 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.775 4.948 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.243 5.931 10.171 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.258 6.236 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.322 4.567 9.031 1.00 0.00 H new ATOM 64 N PHE A 6 0.549 5.988 6.223 1.00 0.00 N ATOM 65 CA PHE A 6 0.168 6.965 5.162 1.00 0.00 C ATOM 66 C PHE A 6 -1.313 7.331 5.295 1.00 0.00 C ATOM 67 O PHE A 6 -2.095 6.596 5.867 1.00 0.00 O ATOM 68 CB PHE A 6 0.414 6.342 3.787 1.00 0.00 C ATOM 69 CG PHE A 6 1.890 6.074 3.611 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.439 4.865 4.052 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.709 7.035 3.006 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.807 4.616 3.888 1.00 0.00 C ATOM 73 CE2 PHE A 6 4.076 6.787 2.842 1.00 0.00 C ATOM 74 CZ PHE A 6 4.625 5.577 3.284 1.00 0.00 C ATOM 0 H PHE A 6 -0.186 5.336 6.496 1.00 0.00 H new ATOM 0 HA PHE A 6 0.771 7.866 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.149 5.414 3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.059 7.012 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.807 4.124 4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.285 7.968 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.231 3.682 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.707 7.528 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.680 5.385 3.159 1.00 0.00 H new ATOM 84 N LYS A 7 -1.696 8.462 4.759 1.00 0.00 N ATOM 85 CA LYS A 7 -3.123 8.892 4.835 1.00 0.00 C ATOM 86 C LYS A 7 -3.707 8.933 3.422 1.00 0.00 C ATOM 87 O LYS A 7 -3.256 9.685 2.579 1.00 0.00 O ATOM 88 CB LYS A 7 -3.206 10.286 5.462 1.00 0.00 C ATOM 89 CG LYS A 7 -4.516 10.419 6.242 1.00 0.00 C ATOM 90 CD LYS A 7 -5.048 11.848 6.112 1.00 0.00 C ATOM 91 CE LYS A 7 -6.144 12.086 7.155 1.00 0.00 C ATOM 92 NZ LYS A 7 -5.556 12.759 8.348 1.00 0.00 N ATOM 0 H LYS A 7 -1.077 9.109 4.270 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.687 8.188 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.357 10.449 6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.154 11.049 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.251 9.710 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.352 10.175 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.237 12.563 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.445 12.009 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.937 12.702 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.597 11.138 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.300 12.921 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.814 12.156 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.144 13.671 8.064 1.00 0.00 H new ATOM 106 N VAL A 8 -4.701 8.124 3.158 1.00 0.00 N ATOM 107 CA VAL A 8 -5.314 8.103 1.797 1.00 0.00 C ATOM 108 C VAL A 8 -6.181 9.348 1.601 1.00 0.00 C ATOM 109 O VAL A 8 -6.917 9.749 2.482 1.00 0.00 O ATOM 110 CB VAL A 8 -6.183 6.852 1.643 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.652 6.736 0.192 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.364 5.613 2.014 1.00 0.00 C ATOM 0 H VAL A 8 -5.115 7.476 3.828 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.521 8.091 1.049 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.048 6.926 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.271 5.846 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.234 7.619 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.786 6.661 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.982 4.722 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.499 5.538 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.027 5.696 3.047 1.00 0.00 H new ATOM 122 N THR A 9 -6.097 9.956 0.446 1.00 0.00 N ATOM 123 CA THR A 9 -6.911 11.174 0.169 1.00 0.00 C ATOM 124 C THR A 9 -7.229 11.254 -1.330 1.00 0.00 C ATOM 125 O THR A 9 -7.507 12.316 -1.856 1.00 0.00 O ATOM 126 CB THR A 9 -6.120 12.414 0.582 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.501 12.183 1.840 1.00 0.00 O ATOM 128 CG2 THR A 9 -7.063 13.614 0.687 1.00 0.00 C ATOM 0 H THR A 9 -5.495 9.658 -0.321 1.00 0.00 H new ATOM 0 HA THR A 9 -7.841 11.123 0.735 1.00 0.00 H new ATOM 0 HB THR A 9 -5.355 12.622 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.992 12.977 2.105 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.496 14.497 0.982 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.535 13.791 -0.279 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.830 13.409 1.434 1.00 0.00 H new ATOM 136 N ALA A 10 -7.187 10.140 -2.021 1.00 0.00 N ATOM 137 CA ALA A 10 -7.481 10.146 -3.484 1.00 0.00 C ATOM 138 C ALA A 10 -8.932 10.571 -3.717 1.00 0.00 C ATOM 139 O ALA A 10 -9.605 11.034 -2.815 1.00 0.00 O ATOM 140 CB ALA A 10 -7.264 8.741 -4.053 1.00 0.00 C ATOM 0 H ALA A 10 -6.961 9.225 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.815 10.850 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.478 8.744 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.229 8.439 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.930 8.039 -3.551 1.00 0.00 H new ATOM 146 N ASP A 11 -9.416 10.421 -4.924 1.00 0.00 N ATOM 147 CA ASP A 11 -10.821 10.815 -5.231 1.00 0.00 C ATOM 148 C ASP A 11 -11.793 9.845 -4.553 1.00 0.00 C ATOM 149 O ASP A 11 -12.796 10.250 -3.994 1.00 0.00 O ATOM 150 CB ASP A 11 -11.042 10.781 -6.745 1.00 0.00 C ATOM 151 CG ASP A 11 -10.643 9.408 -7.288 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.451 8.500 -7.198 1.00 0.00 O ATOM 153 OD2 ASP A 11 -9.534 9.289 -7.785 1.00 0.00 O ATOM 0 H ASP A 11 -8.894 10.040 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.000 11.823 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.088 10.985 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.452 11.560 -7.227 1.00 0.00 H new ATOM 158 N SER A 12 -11.507 8.567 -4.603 1.00 0.00 N ATOM 159 CA SER A 12 -12.415 7.567 -3.966 1.00 0.00 C ATOM 160 C SER A 12 -11.615 6.662 -3.025 1.00 0.00 C ATOM 161 O SER A 12 -11.964 5.517 -2.811 1.00 0.00 O ATOM 162 CB SER A 12 -13.074 6.714 -5.050 1.00 0.00 C ATOM 163 OG SER A 12 -12.107 6.377 -6.035 1.00 0.00 O ATOM 0 H SER A 12 -10.683 8.174 -5.058 1.00 0.00 H new ATOM 0 HA SER A 12 -13.181 8.092 -3.395 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.494 5.809 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.900 7.260 -5.506 1.00 0.00 H new ATOM 0 HG SER A 12 -11.852 7.182 -6.532 1.00 0.00 H new ATOM 169 N GLY A 13 -10.550 7.171 -2.461 1.00 0.00 N ATOM 170 CA GLY A 13 -9.726 6.347 -1.530 1.00 0.00 C ATOM 171 C GLY A 13 -8.790 5.441 -2.330 1.00 0.00 C ATOM 172 O GLY A 13 -7.902 5.907 -3.021 1.00 0.00 O ATOM 0 H GLY A 13 -10.216 8.124 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.146 6.995 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.374 5.744 -0.893 1.00 0.00 H new ATOM 176 N ILE A 14 -8.979 4.148 -2.237 1.00 0.00 N ATOM 177 CA ILE A 14 -8.101 3.200 -2.984 1.00 0.00 C ATOM 178 C ILE A 14 -8.945 2.052 -3.545 1.00 0.00 C ATOM 179 O ILE A 14 -9.507 1.265 -2.806 1.00 0.00 O ATOM 180 CB ILE A 14 -7.039 2.641 -2.030 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.247 3.801 -1.422 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.086 1.719 -2.798 1.00 0.00 C ATOM 183 CD1 ILE A 14 -5.266 3.264 -0.376 1.00 0.00 C ATOM 0 H ILE A 14 -9.707 3.708 -1.673 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.614 3.722 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.526 2.073 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.705 4.333 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.928 4.517 -0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.333 1.324 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.650 0.894 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.596 2.282 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.704 4.093 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.818 2.752 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.576 2.565 -0.849 1.00 0.00 H new ATOM 195 N HIS A 15 -9.030 1.950 -4.848 1.00 0.00 N ATOM 196 CA HIS A 15 -9.828 0.854 -5.468 1.00 0.00 C ATOM 197 C HIS A 15 -8.914 0.016 -6.401 1.00 0.00 C ATOM 198 O HIS A 15 -7.891 -0.477 -5.960 1.00 0.00 O ATOM 199 CB HIS A 15 -11.042 1.451 -6.208 1.00 0.00 C ATOM 200 CG HIS A 15 -10.617 2.599 -7.087 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.189 3.870 -6.792 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -10.621 2.515 -8.471 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -9.933 4.565 -7.970 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -10.210 3.703 -8.950 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.579 2.582 -5.509 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.216 0.183 -4.702 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.520 0.681 -6.813 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.782 1.794 -5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.903 1.653 -9.058 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.585 5.583 -8.070 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.121 3.919 -9.943 1.00 0.00 H new ATOM 212 N ALA A 16 -9.258 -0.177 -7.663 1.00 0.00 N ATOM 213 CA ALA A 16 -8.394 -1.012 -8.555 1.00 0.00 C ATOM 214 C ALA A 16 -7.274 -0.181 -9.192 1.00 0.00 C ATOM 215 O ALA A 16 -6.218 -0.700 -9.501 1.00 0.00 O ATOM 216 CB ALA A 16 -9.256 -1.620 -9.661 1.00 0.00 C ATOM 0 H ALA A 16 -10.094 0.207 -8.104 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.936 -1.794 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.632 -2.230 -10.315 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.033 -2.242 -9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.719 -0.822 -10.242 1.00 0.00 H new ATOM 222 N ARG A 17 -7.494 1.092 -9.414 1.00 0.00 N ATOM 223 CA ARG A 17 -6.434 1.930 -10.055 1.00 0.00 C ATOM 224 C ARG A 17 -5.178 1.983 -9.160 1.00 0.00 C ATOM 225 O ARG A 17 -4.099 1.667 -9.622 1.00 0.00 O ATOM 226 CB ARG A 17 -6.967 3.351 -10.298 1.00 0.00 C ATOM 227 CG ARG A 17 -6.750 3.745 -11.763 1.00 0.00 C ATOM 228 CD ARG A 17 -7.283 5.158 -11.996 1.00 0.00 C ATOM 229 NE ARG A 17 -6.465 6.132 -11.220 1.00 0.00 N ATOM 230 CZ ARG A 17 -5.312 6.532 -11.684 1.00 0.00 C ATOM 231 NH1 ARG A 17 -4.238 5.826 -11.456 1.00 0.00 N ATOM 232 NH2 ARG A 17 -5.235 7.635 -12.376 1.00 0.00 N ATOM 0 H ARG A 17 -8.356 1.584 -9.181 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.162 1.482 -11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.028 3.398 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.457 4.057 -9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.689 3.700 -12.009 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.260 3.040 -12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.247 5.401 -13.058 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.327 5.219 -11.690 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.806 6.486 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.300 4.963 -10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.337 6.137 -11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.075 8.185 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.334 7.948 -12.739 1.00 0.00 H new ATOM 246 N PRO A 18 -5.331 2.383 -7.908 1.00 0.00 N ATOM 247 CA PRO A 18 -4.185 2.474 -6.987 1.00 0.00 C ATOM 248 C PRO A 18 -3.784 1.084 -6.478 1.00 0.00 C ATOM 249 O PRO A 18 -2.653 0.865 -6.088 1.00 0.00 O ATOM 250 CB PRO A 18 -4.698 3.349 -5.844 1.00 0.00 C ATOM 251 CG PRO A 18 -6.239 3.245 -5.875 1.00 0.00 C ATOM 252 CD PRO A 18 -6.624 2.773 -7.291 1.00 0.00 C ATOM 0 HA PRO A 18 -3.295 2.887 -7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.305 3.008 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.376 4.382 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.594 2.541 -5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.696 4.209 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.318 1.933 -7.256 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.112 3.567 -7.857 1.00 0.00 H new ATOM 260 N ALA A 19 -4.698 0.144 -6.480 1.00 0.00 N ATOM 261 CA ALA A 19 -4.360 -1.229 -6.001 1.00 0.00 C ATOM 262 C ALA A 19 -3.480 -1.933 -7.041 1.00 0.00 C ATOM 263 O ALA A 19 -2.714 -2.820 -6.715 1.00 0.00 O ATOM 264 CB ALA A 19 -5.645 -2.033 -5.796 1.00 0.00 C ATOM 0 H ALA A 19 -5.661 0.270 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.822 -1.158 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.396 -3.035 -5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.271 -1.536 -5.055 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.185 -2.102 -6.740 1.00 0.00 H new ATOM 270 N THR A 20 -3.586 -1.545 -8.289 1.00 0.00 N ATOM 271 CA THR A 20 -2.760 -2.190 -9.352 1.00 0.00 C ATOM 272 C THR A 20 -1.361 -1.567 -9.360 1.00 0.00 C ATOM 273 O THR A 20 -0.371 -2.248 -9.548 1.00 0.00 O ATOM 274 CB THR A 20 -3.421 -1.978 -10.715 1.00 0.00 C ATOM 275 OG1 THR A 20 -4.768 -2.428 -10.661 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.659 -2.768 -11.782 1.00 0.00 C ATOM 0 H THR A 20 -4.211 -0.808 -8.616 1.00 0.00 H new ATOM 0 HA THR A 20 -2.681 -3.258 -9.151 1.00 0.00 H new ATOM 0 HB THR A 20 -3.402 -0.918 -10.968 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.364 -1.661 -10.530 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.131 -2.616 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.626 -2.422 -11.822 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.677 -3.829 -11.532 1.00 0.00 H new ATOM 284 N VAL A 21 -1.273 -0.275 -9.159 1.00 0.00 N ATOM 285 CA VAL A 21 0.063 0.392 -9.151 1.00 0.00 C ATOM 286 C VAL A 21 0.807 0.027 -7.857 1.00 0.00 C ATOM 287 O VAL A 21 2.023 0.021 -7.813 1.00 0.00 O ATOM 288 CB VAL A 21 -0.116 1.916 -9.255 1.00 0.00 C ATOM 289 CG1 VAL A 21 -0.886 2.446 -8.042 1.00 0.00 C ATOM 290 CG2 VAL A 21 1.257 2.590 -9.319 1.00 0.00 C ATOM 0 H VAL A 21 -2.068 0.344 -9.001 1.00 0.00 H new ATOM 0 HA VAL A 21 0.648 0.051 -10.005 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.681 2.142 -10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.005 3.526 -8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.868 1.975 -8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.334 2.215 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.129 3.670 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.821 2.352 -8.417 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.799 2.228 -10.193 1.00 0.00 H new ATOM 300 N LEU A 22 0.082 -0.274 -6.806 1.00 0.00 N ATOM 301 CA LEU A 22 0.735 -0.639 -5.516 1.00 0.00 C ATOM 302 C LEU A 22 1.196 -2.096 -5.571 1.00 0.00 C ATOM 303 O LEU A 22 2.278 -2.430 -5.127 1.00 0.00 O ATOM 304 CB LEU A 22 -0.263 -0.468 -4.368 1.00 0.00 C ATOM 305 CG LEU A 22 -0.542 1.020 -4.150 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.843 1.185 -3.362 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.612 1.644 -3.362 1.00 0.00 C ATOM 0 H LEU A 22 -0.938 -0.282 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 22 1.594 0.011 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.190 -0.993 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.137 -0.911 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.636 1.517 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.042 2.245 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.666 0.739 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.749 0.688 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.414 2.705 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.705 1.146 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.540 1.526 -3.921 1.00 0.00 H new ATOM 319 N VAL A 23 0.379 -2.965 -6.110 1.00 0.00 N ATOM 320 CA VAL A 23 0.760 -4.406 -6.198 1.00 0.00 C ATOM 321 C VAL A 23 1.953 -4.559 -7.153 1.00 0.00 C ATOM 322 O VAL A 23 2.783 -5.433 -6.989 1.00 0.00 O ATOM 323 CB VAL A 23 -0.440 -5.219 -6.712 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.841 -4.736 -8.106 1.00 0.00 C ATOM 325 CG2 VAL A 23 -0.075 -6.706 -6.770 1.00 0.00 C ATOM 0 H VAL A 23 -0.538 -2.737 -6.494 1.00 0.00 H new ATOM 0 HA VAL A 23 1.044 -4.776 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.278 -5.079 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.692 -5.317 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.115 -3.682 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.002 -4.864 -8.790 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.929 -7.276 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.770 -6.847 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.194 -7.054 -5.773 1.00 0.00 H new ATOM 335 N GLN A 24 2.034 -3.714 -8.149 1.00 0.00 N ATOM 336 CA GLN A 24 3.160 -3.799 -9.125 1.00 0.00 C ATOM 337 C GLN A 24 4.469 -3.399 -8.440 1.00 0.00 C ATOM 338 O GLN A 24 5.463 -4.095 -8.529 1.00 0.00 O ATOM 339 CB GLN A 24 2.892 -2.848 -10.295 1.00 0.00 C ATOM 340 CG GLN A 24 1.796 -3.428 -11.198 1.00 0.00 C ATOM 341 CD GLN A 24 2.424 -4.010 -12.467 1.00 0.00 C ATOM 342 OE1 GLN A 24 2.408 -5.207 -12.673 1.00 0.00 O ATOM 343 NE2 GLN A 24 2.982 -3.207 -13.331 1.00 0.00 N ATOM 0 H GLN A 24 1.365 -2.965 -8.328 1.00 0.00 H new ATOM 0 HA GLN A 24 3.241 -4.822 -9.493 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.587 -1.872 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.806 -2.697 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.245 -4.203 -10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.078 -2.650 -11.460 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.996 -2.202 -13.158 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.405 -3.584 -14.179 1.00 0.00 H new ATOM 352 N THR A 25 4.474 -2.279 -7.763 1.00 0.00 N ATOM 353 CA THR A 25 5.715 -1.818 -7.072 1.00 0.00 C ATOM 354 C THR A 25 6.135 -2.845 -6.017 1.00 0.00 C ATOM 355 O THR A 25 7.308 -3.026 -5.752 1.00 0.00 O ATOM 356 CB THR A 25 5.447 -0.472 -6.393 1.00 0.00 C ATOM 357 OG1 THR A 25 4.919 0.440 -7.347 1.00 0.00 O ATOM 358 CG2 THR A 25 6.753 0.083 -5.822 1.00 0.00 C ATOM 0 H THR A 25 3.668 -1.662 -7.659 1.00 0.00 H new ATOM 0 HA THR A 25 6.515 -1.708 -7.804 1.00 0.00 H new ATOM 0 HB THR A 25 4.729 -0.609 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.954 0.297 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.561 1.041 -5.339 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.157 -0.617 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.473 0.221 -6.629 1.00 0.00 H new ATOM 366 N ALA A 26 5.185 -3.512 -5.415 1.00 0.00 N ATOM 367 CA ALA A 26 5.520 -4.527 -4.372 1.00 0.00 C ATOM 368 C ALA A 26 6.098 -5.779 -5.038 1.00 0.00 C ATOM 369 O ALA A 26 6.922 -6.470 -4.469 1.00 0.00 O ATOM 370 CB ALA A 26 4.249 -4.891 -3.594 1.00 0.00 C ATOM 0 H ALA A 26 4.189 -3.397 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 26 6.260 -4.116 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.489 -5.632 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.846 -3.997 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.508 -5.303 -4.279 1.00 0.00 H new ATOM 376 N SER A 27 5.670 -6.074 -6.240 1.00 0.00 N ATOM 377 CA SER A 27 6.187 -7.282 -6.951 1.00 0.00 C ATOM 378 C SER A 27 7.671 -7.093 -7.282 1.00 0.00 C ATOM 379 O SER A 27 8.413 -8.051 -7.396 1.00 0.00 O ATOM 380 CB SER A 27 5.400 -7.485 -8.245 1.00 0.00 C ATOM 381 OG SER A 27 5.768 -6.481 -9.182 1.00 0.00 O ATOM 0 H SER A 27 4.983 -5.528 -6.760 1.00 0.00 H new ATOM 0 HA SER A 27 6.070 -8.155 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.603 -8.474 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.330 -7.437 -8.044 1.00 0.00 H new ATOM 0 HG SER A 27 5.259 -5.663 -9.002 1.00 0.00 H new ATOM 387 N LYS A 28 8.105 -5.869 -7.442 1.00 0.00 N ATOM 388 CA LYS A 28 9.539 -5.613 -7.771 1.00 0.00 C ATOM 389 C LYS A 28 10.432 -6.054 -6.605 1.00 0.00 C ATOM 390 O LYS A 28 11.604 -6.326 -6.788 1.00 0.00 O ATOM 391 CB LYS A 28 9.743 -4.119 -8.031 1.00 0.00 C ATOM 392 CG LYS A 28 9.189 -3.759 -9.411 1.00 0.00 C ATOM 393 CD LYS A 28 10.127 -4.295 -10.497 1.00 0.00 C ATOM 394 CE LYS A 28 11.083 -3.187 -10.942 1.00 0.00 C ATOM 395 NZ LYS A 28 11.977 -3.705 -12.017 1.00 0.00 N ATOM 0 H LYS A 28 7.526 -5.034 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 28 9.808 -6.181 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.240 -3.533 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.803 -3.871 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.192 -4.182 -9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.090 -2.677 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.692 -5.146 -10.116 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.548 -4.653 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.518 -2.329 -11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.676 -2.842 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.627 -2.952 -12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.525 -4.511 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.403 -4.014 -12.827 1.00 0.00 H new ATOM 409 N TYR A 29 9.894 -6.120 -5.411 1.00 0.00 N ATOM 410 CA TYR A 29 10.720 -6.535 -4.236 1.00 0.00 C ATOM 411 C TYR A 29 10.228 -7.885 -3.711 1.00 0.00 C ATOM 412 O TYR A 29 9.040 -8.132 -3.624 1.00 0.00 O ATOM 413 CB TYR A 29 10.605 -5.484 -3.128 1.00 0.00 C ATOM 414 CG TYR A 29 10.891 -4.115 -3.699 1.00 0.00 C ATOM 415 CD1 TYR A 29 9.861 -3.381 -4.298 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.186 -3.585 -3.640 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.124 -2.117 -4.838 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.448 -2.320 -4.178 1.00 0.00 C ATOM 419 CZ TYR A 29 11.417 -1.586 -4.778 1.00 0.00 C ATOM 420 OH TYR A 29 11.677 -0.340 -5.311 1.00 0.00 O ATOM 0 H TYR A 29 8.920 -5.904 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 29 11.762 -6.624 -4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.606 -5.507 -2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.307 -5.709 -2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.863 -3.790 -4.344 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.982 -4.152 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.329 -1.551 -5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.446 -1.909 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 29 12.624 -0.121 -5.184 1.00 0.00 H new ATOM 430 N ASP A 30 11.138 -8.757 -3.358 1.00 0.00 N ATOM 431 CA ASP A 30 10.738 -10.097 -2.832 1.00 0.00 C ATOM 432 C ASP A 30 10.370 -10.000 -1.342 1.00 0.00 C ATOM 433 O ASP A 30 9.937 -10.970 -0.748 1.00 0.00 O ATOM 434 CB ASP A 30 11.903 -11.075 -3.003 1.00 0.00 C ATOM 435 CG ASP A 30 12.205 -11.256 -4.491 1.00 0.00 C ATOM 436 OD1 ASP A 30 11.361 -11.802 -5.184 1.00 0.00 O ATOM 437 OD2 ASP A 30 13.273 -10.847 -4.913 1.00 0.00 O ATOM 0 H ASP A 30 12.144 -8.598 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 30 9.869 -10.450 -3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.786 -10.699 -2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.654 -12.036 -2.552 1.00 0.00 H new ATOM 442 N ALA A 31 10.537 -8.847 -0.729 1.00 0.00 N ATOM 443 CA ALA A 31 10.194 -8.707 0.717 1.00 0.00 C ATOM 444 C ALA A 31 8.700 -8.977 0.916 1.00 0.00 C ATOM 445 O ALA A 31 7.955 -9.112 -0.036 1.00 0.00 O ATOM 446 CB ALA A 31 10.523 -7.287 1.183 1.00 0.00 C ATOM 0 H ALA A 31 10.896 -8.001 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 31 10.773 -9.424 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.273 -7.183 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.587 -7.095 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.944 -6.570 0.601 1.00 0.00 H new ATOM 452 N ASP A 32 8.263 -9.059 2.146 1.00 0.00 N ATOM 453 CA ASP A 32 6.819 -9.323 2.414 1.00 0.00 C ATOM 454 C ASP A 32 6.113 -8.012 2.762 1.00 0.00 C ATOM 455 O ASP A 32 6.175 -7.541 3.883 1.00 0.00 O ATOM 456 CB ASP A 32 6.686 -10.297 3.585 1.00 0.00 C ATOM 457 CG ASP A 32 7.494 -11.563 3.291 1.00 0.00 C ATOM 458 OD1 ASP A 32 8.709 -11.472 3.259 1.00 0.00 O ATOM 459 OD2 ASP A 32 6.882 -12.602 3.104 1.00 0.00 O ATOM 0 H ASP A 32 8.845 -8.954 2.977 1.00 0.00 H new ATOM 0 HA ASP A 32 6.361 -9.757 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.043 -9.830 4.503 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.638 -10.551 3.744 1.00 0.00 H new ATOM 464 N VAL A 33 5.439 -7.423 1.807 1.00 0.00 N ATOM 465 CA VAL A 33 4.719 -6.143 2.070 1.00 0.00 C ATOM 466 C VAL A 33 3.264 -6.447 2.439 1.00 0.00 C ATOM 467 O VAL A 33 2.574 -7.164 1.739 1.00 0.00 O ATOM 468 CB VAL A 33 4.758 -5.263 0.816 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.196 -4.795 0.570 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.256 -6.059 -0.399 1.00 0.00 C ATOM 0 H VAL A 33 5.357 -7.776 0.854 1.00 0.00 H new ATOM 0 HA VAL A 33 5.202 -5.616 2.893 1.00 0.00 H new ATOM 0 HB VAL A 33 4.112 -4.397 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.227 -4.169 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.544 -4.221 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.841 -5.662 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.287 -5.427 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.893 -6.930 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.231 -6.386 -0.222 1.00 0.00 H new ATOM 480 N ASN A 34 2.797 -5.911 3.539 1.00 0.00 N ATOM 481 CA ASN A 34 1.389 -6.170 3.964 1.00 0.00 C ATOM 482 C ASN A 34 0.656 -4.841 4.157 1.00 0.00 C ATOM 483 O ASN A 34 1.260 -3.823 4.438 1.00 0.00 O ATOM 484 CB ASN A 34 1.391 -6.945 5.282 1.00 0.00 C ATOM 485 CG ASN A 34 1.897 -8.368 5.038 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.118 -9.268 4.794 1.00 0.00 O ATOM 487 ND2 ASN A 34 3.178 -8.610 5.094 1.00 0.00 N ATOM 0 H ASN A 34 3.332 -5.305 4.161 1.00 0.00 H new ATOM 0 HA ASN A 34 0.882 -6.754 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.027 -6.442 6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.385 -6.972 5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.526 -9.555 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.831 -7.854 5.299 1.00 0.00 H new ATOM 494 N LEU A 35 -0.644 -4.850 4.012 1.00 0.00 N ATOM 495 CA LEU A 35 -1.434 -3.597 4.188 1.00 0.00 C ATOM 496 C LEU A 35 -2.362 -3.750 5.394 1.00 0.00 C ATOM 497 O LEU A 35 -3.295 -4.530 5.374 1.00 0.00 O ATOM 498 CB LEU A 35 -2.269 -3.340 2.932 1.00 0.00 C ATOM 499 CG LEU A 35 -2.620 -1.854 2.845 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.348 -1.042 2.592 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.604 -1.632 1.694 1.00 0.00 C ATOM 0 H LEU A 35 -1.194 -5.676 3.778 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.757 -2.758 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.714 -3.645 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.180 -3.938 2.960 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.075 -1.532 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.599 0.017 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.646 -1.201 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.892 -1.362 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.856 -0.573 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.148 -1.954 0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.510 -2.210 1.873 1.00 0.00 H new ATOM 513 N GLU A 36 -2.108 -3.013 6.446 1.00 0.00 N ATOM 514 CA GLU A 36 -2.968 -3.113 7.661 1.00 0.00 C ATOM 515 C GLU A 36 -4.000 -1.984 7.657 1.00 0.00 C ATOM 516 O GLU A 36 -3.667 -0.825 7.814 1.00 0.00 O ATOM 517 CB GLU A 36 -2.098 -3.002 8.913 1.00 0.00 C ATOM 518 CG GLU A 36 -2.862 -3.554 10.119 1.00 0.00 C ATOM 519 CD GLU A 36 -3.587 -2.410 10.831 1.00 0.00 C ATOM 520 OE1 GLU A 36 -2.982 -1.800 11.697 1.00 0.00 O ATOM 521 OE2 GLU A 36 -4.735 -2.165 10.499 1.00 0.00 O ATOM 0 H GLU A 36 -1.340 -2.345 6.514 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.483 -4.074 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.170 -3.556 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.825 -1.961 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.580 -4.307 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.173 -4.045 10.806 1.00 0.00 H new ATOM 528 N TYR A 37 -5.251 -2.321 7.481 1.00 0.00 N ATOM 529 CA TYR A 37 -6.321 -1.281 7.470 1.00 0.00 C ATOM 530 C TYR A 37 -7.546 -1.803 8.225 1.00 0.00 C ATOM 531 O TYR A 37 -7.859 -2.977 8.181 1.00 0.00 O ATOM 532 CB TYR A 37 -6.712 -0.961 6.025 1.00 0.00 C ATOM 533 CG TYR A 37 -7.667 0.207 6.015 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.210 1.484 6.357 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.009 0.012 5.668 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.093 2.568 6.351 1.00 0.00 C ATOM 537 CE2 TYR A 37 -9.893 1.097 5.662 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.436 2.375 6.004 1.00 0.00 C ATOM 539 OH TYR A 37 -10.308 3.445 5.997 1.00 0.00 O ATOM 0 H TYR A 37 -5.579 -3.277 7.344 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.952 -0.377 7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.824 -0.724 5.439 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.178 -1.830 5.561 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.175 1.633 6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.362 -0.974 5.405 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.739 3.554 6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.928 0.948 5.393 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.200 3.138 5.733 1.00 0.00 H new ATOM 549 N ASN A 38 -8.242 -0.934 8.915 1.00 0.00 N ATOM 550 CA ASN A 38 -9.454 -1.363 9.680 1.00 0.00 C ATOM 551 C ASN A 38 -9.066 -2.423 10.715 1.00 0.00 C ATOM 552 O ASN A 38 -9.843 -3.303 11.032 1.00 0.00 O ATOM 553 CB ASN A 38 -10.490 -1.947 8.716 1.00 0.00 C ATOM 554 CG ASN A 38 -11.891 -1.769 9.303 1.00 0.00 C ATOM 555 OD1 ASN A 38 -12.244 -0.696 9.749 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.711 -2.786 9.324 1.00 0.00 N ATOM 0 H ASN A 38 -8.022 0.060 8.982 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.879 -0.499 10.191 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.424 -1.449 7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.288 -3.004 8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.647 -2.678 9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.415 -3.687 8.950 1.00 0.00 H new ATOM 563 N GLY A 39 -7.869 -2.343 11.240 1.00 0.00 N ATOM 564 CA GLY A 39 -7.420 -3.343 12.255 1.00 0.00 C ATOM 565 C GLY A 39 -7.404 -4.734 11.630 1.00 0.00 C ATOM 566 O GLY A 39 -7.695 -5.721 12.280 1.00 0.00 O ATOM 0 H GLY A 39 -7.182 -1.626 11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.425 -3.085 12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.088 -3.328 13.116 1.00 0.00 H new ATOM 570 N LYS A 40 -7.055 -4.816 10.374 1.00 0.00 N ATOM 571 CA LYS A 40 -7.004 -6.137 9.692 1.00 0.00 C ATOM 572 C LYS A 40 -5.717 -6.234 8.882 1.00 0.00 C ATOM 573 O LYS A 40 -5.261 -5.267 8.303 1.00 0.00 O ATOM 574 CB LYS A 40 -8.202 -6.288 8.756 1.00 0.00 C ATOM 575 CG LYS A 40 -9.503 -6.308 9.570 1.00 0.00 C ATOM 576 CD LYS A 40 -10.087 -7.723 9.584 1.00 0.00 C ATOM 577 CE LYS A 40 -11.583 -7.654 9.897 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.348 -7.482 8.629 1.00 0.00 N ATOM 0 H LYS A 40 -6.802 -4.019 9.790 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.033 -6.929 10.440 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.222 -5.465 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.110 -7.208 8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.309 -5.975 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.223 -5.612 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.928 -8.203 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.576 -8.331 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.901 -8.564 10.406 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.786 -6.823 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.365 -7.435 8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.051 -6.602 8.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.162 -8.289 7.999 1.00 0.00 H new ATOM 592 N THR A 41 -5.131 -7.396 8.840 1.00 0.00 N ATOM 593 CA THR A 41 -3.866 -7.576 8.070 1.00 0.00 C ATOM 594 C THR A 41 -4.145 -8.402 6.812 1.00 0.00 C ATOM 595 O THR A 41 -4.662 -9.501 6.884 1.00 0.00 O ATOM 596 CB THR A 41 -2.836 -8.300 8.939 1.00 0.00 C ATOM 597 OG1 THR A 41 -2.847 -7.743 10.246 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.444 -8.141 8.325 1.00 0.00 C ATOM 0 H THR A 41 -5.474 -8.235 9.308 1.00 0.00 H new ATOM 0 HA THR A 41 -3.475 -6.600 7.783 1.00 0.00 H new ATOM 0 HB THR A 41 -3.086 -9.359 8.993 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.189 -8.207 10.805 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.712 -8.657 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.437 -8.570 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.190 -7.083 8.269 1.00 0.00 H new ATOM 606 N VAL A 42 -3.804 -7.878 5.661 1.00 0.00 N ATOM 607 CA VAL A 42 -4.044 -8.629 4.388 1.00 0.00 C ATOM 608 C VAL A 42 -2.802 -8.501 3.501 1.00 0.00 C ATOM 609 O VAL A 42 -1.855 -7.818 3.845 1.00 0.00 O ATOM 610 CB VAL A 42 -5.265 -8.059 3.634 1.00 0.00 C ATOM 611 CG1 VAL A 42 -5.891 -9.161 2.777 1.00 0.00 C ATOM 612 CG2 VAL A 42 -6.323 -7.541 4.621 1.00 0.00 C ATOM 0 H VAL A 42 -3.370 -6.962 5.547 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.242 -9.674 4.626 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.928 -7.233 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.753 -8.761 2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.156 -9.525 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.210 -9.983 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.174 -7.144 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.656 -8.359 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.891 -6.752 5.237 1.00 0.00 H new ATOM 622 N ASN A 43 -2.798 -9.151 2.365 1.00 0.00 N ATOM 623 CA ASN A 43 -1.619 -9.070 1.452 1.00 0.00 C ATOM 624 C ASN A 43 -1.692 -7.776 0.637 1.00 0.00 C ATOM 625 O ASN A 43 -2.749 -7.377 0.185 1.00 0.00 O ATOM 626 CB ASN A 43 -1.625 -10.271 0.504 1.00 0.00 C ATOM 627 CG ASN A 43 -0.330 -10.286 -0.310 1.00 0.00 C ATOM 628 OD1 ASN A 43 -0.362 -10.291 -1.525 1.00 0.00 O ATOM 629 ND2 ASN A 43 0.817 -10.292 0.312 1.00 0.00 N ATOM 0 H ASN A 43 -3.563 -9.736 2.030 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.702 -9.077 2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.720 -11.196 1.073 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.485 -10.217 -0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.686 -10.301 -0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.844 -10.288 1.332 1.00 0.00 H new ATOM 636 N LEU A 44 -0.575 -7.121 0.447 1.00 0.00 N ATOM 637 CA LEU A 44 -0.567 -5.852 -0.339 1.00 0.00 C ATOM 638 C LEU A 44 -0.635 -6.168 -1.841 1.00 0.00 C ATOM 639 O LEU A 44 -1.001 -5.324 -2.638 1.00 0.00 O ATOM 640 CB LEU A 44 0.718 -5.069 -0.022 1.00 0.00 C ATOM 641 CG LEU A 44 0.768 -3.768 -0.836 1.00 0.00 C ATOM 642 CD1 LEU A 44 -0.343 -2.815 -0.378 1.00 0.00 C ATOM 643 CD2 LEU A 44 2.131 -3.100 -0.634 1.00 0.00 C ATOM 0 H LEU A 44 0.335 -7.412 0.804 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.434 -5.249 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.759 -4.841 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.590 -5.682 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 44 0.622 -3.999 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.298 -1.896 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.313 -3.290 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.209 -2.581 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.172 -2.175 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.273 -2.876 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.919 -3.773 -0.971 1.00 0.00 H new ATOM 655 N LYS A 45 -0.293 -7.373 -2.234 1.00 0.00 N ATOM 656 CA LYS A 45 -0.345 -7.732 -3.683 1.00 0.00 C ATOM 657 C LYS A 45 -1.685 -8.401 -4.007 1.00 0.00 C ATOM 658 O LYS A 45 -1.775 -9.209 -4.913 1.00 0.00 O ATOM 659 CB LYS A 45 0.796 -8.701 -4.011 1.00 0.00 C ATOM 660 CG LYS A 45 2.145 -8.005 -3.800 1.00 0.00 C ATOM 661 CD LYS A 45 2.745 -8.433 -2.454 1.00 0.00 C ATOM 662 CE LYS A 45 4.250 -8.660 -2.610 1.00 0.00 C ATOM 663 NZ LYS A 45 4.673 -9.796 -1.744 1.00 0.00 N ATOM 0 H LYS A 45 0.019 -8.120 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.241 -6.825 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.729 -9.584 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.710 -9.043 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.827 -8.261 -4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.014 -6.923 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.559 -7.667 -1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.264 -9.346 -2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.490 -8.874 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.795 -7.757 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.696 -9.951 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.457 -9.575 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.162 -10.657 -2.026 1.00 0.00 H new ATOM 677 N SER A 46 -2.724 -8.075 -3.278 1.00 0.00 N ATOM 678 CA SER A 46 -4.055 -8.692 -3.545 1.00 0.00 C ATOM 679 C SER A 46 -5.074 -7.594 -3.856 1.00 0.00 C ATOM 680 O SER A 46 -5.231 -6.650 -3.105 1.00 0.00 O ATOM 681 CB SER A 46 -4.507 -9.469 -2.312 1.00 0.00 C ATOM 682 OG SER A 46 -5.331 -10.556 -2.716 1.00 0.00 O ATOM 0 H SER A 46 -2.705 -7.406 -2.508 1.00 0.00 H new ATOM 0 HA SER A 46 -3.979 -9.368 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.641 -9.839 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.056 -8.813 -1.636 1.00 0.00 H new ATOM 0 HG SER A 46 -5.621 -11.058 -1.926 1.00 0.00 H new ATOM 688 N ILE A 47 -5.773 -7.717 -4.955 1.00 0.00 N ATOM 689 CA ILE A 47 -6.793 -6.691 -5.322 1.00 0.00 C ATOM 690 C ILE A 47 -8.169 -7.176 -4.863 1.00 0.00 C ATOM 691 O ILE A 47 -9.001 -6.399 -4.434 1.00 0.00 O ATOM 692 CB ILE A 47 -6.793 -6.487 -6.843 1.00 0.00 C ATOM 693 CG1 ILE A 47 -5.396 -6.059 -7.299 1.00 0.00 C ATOM 694 CG2 ILE A 47 -7.804 -5.399 -7.219 1.00 0.00 C ATOM 695 CD1 ILE A 47 -4.511 -7.296 -7.470 1.00 0.00 C ATOM 0 H ILE A 47 -5.680 -8.488 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.558 -5.743 -4.838 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.069 -7.422 -7.331 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.461 -5.513 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.955 -5.382 -6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.801 -5.257 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.800 -5.701 -6.895 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.531 -4.464 -6.730 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.517 -6.990 -7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.436 -7.824 -6.519 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.950 -7.957 -8.218 1.00 0.00 H new ATOM 707 N MET A 48 -8.406 -8.460 -4.946 1.00 0.00 N ATOM 708 CA MET A 48 -9.719 -9.017 -4.512 1.00 0.00 C ATOM 709 C MET A 48 -9.686 -9.338 -3.009 1.00 0.00 C ATOM 710 O MET A 48 -10.711 -9.588 -2.405 1.00 0.00 O ATOM 711 CB MET A 48 -10.011 -10.296 -5.298 1.00 0.00 C ATOM 712 CG MET A 48 -11.523 -10.480 -5.434 1.00 0.00 C ATOM 713 SD MET A 48 -12.105 -9.609 -6.910 1.00 0.00 S ATOM 714 CE MET A 48 -13.790 -9.293 -6.335 1.00 0.00 C ATOM 0 H MET A 48 -7.741 -9.149 -5.298 1.00 0.00 H new ATOM 0 HA MET A 48 -10.500 -8.280 -4.701 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.551 -10.242 -6.285 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.574 -11.155 -4.789 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.766 -11.540 -5.504 1.00 0.00 H new ATOM 0 HG3 MET A 48 -12.028 -10.095 -4.548 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.342 -8.754 -7.105 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.288 -10.241 -6.128 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.758 -8.694 -5.425 1.00 0.00 H new ATOM 724 N GLY A 49 -8.520 -9.339 -2.401 1.00 0.00 N ATOM 725 CA GLY A 49 -8.431 -9.649 -0.945 1.00 0.00 C ATOM 726 C GLY A 49 -8.682 -8.376 -0.131 1.00 0.00 C ATOM 727 O GLY A 49 -9.285 -8.415 0.924 1.00 0.00 O ATOM 0 H GLY A 49 -7.629 -9.138 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.163 -10.412 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.447 -10.055 -0.709 1.00 0.00 H new ATOM 731 N VAL A 50 -8.218 -7.252 -0.614 1.00 0.00 N ATOM 732 CA VAL A 50 -8.420 -5.970 0.127 1.00 0.00 C ATOM 733 C VAL A 50 -9.802 -5.374 -0.187 1.00 0.00 C ATOM 734 O VAL A 50 -10.198 -4.388 0.405 1.00 0.00 O ATOM 735 CB VAL A 50 -7.332 -4.973 -0.284 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.440 -3.711 0.574 1.00 0.00 C ATOM 737 CG2 VAL A 50 -5.955 -5.610 -0.077 1.00 0.00 C ATOM 0 H VAL A 50 -7.706 -7.166 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.361 -6.170 1.197 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.461 -4.710 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.665 -3.003 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.420 -3.256 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.312 -3.973 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.179 -4.902 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.830 -5.873 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.874 -6.509 -0.688 1.00 0.00 H new ATOM 747 N VAL A 51 -10.540 -5.955 -1.108 1.00 0.00 N ATOM 748 CA VAL A 51 -11.888 -5.405 -1.444 1.00 0.00 C ATOM 749 C VAL A 51 -12.790 -5.462 -0.202 1.00 0.00 C ATOM 750 O VAL A 51 -13.675 -4.646 -0.030 1.00 0.00 O ATOM 751 CB VAL A 51 -12.503 -6.228 -2.587 1.00 0.00 C ATOM 752 CG1 VAL A 51 -12.669 -7.688 -2.155 1.00 0.00 C ATOM 753 CG2 VAL A 51 -13.871 -5.649 -2.964 1.00 0.00 C ATOM 0 H VAL A 51 -10.265 -6.783 -1.637 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.794 -4.367 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.838 -6.184 -3.450 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.106 -8.262 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.695 -8.105 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.325 -7.738 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.303 -6.235 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.532 -5.684 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.752 -4.615 -3.288 1.00 0.00 H new ATOM 763 N SER A 52 -12.567 -6.423 0.660 1.00 0.00 N ATOM 764 CA SER A 52 -13.402 -6.542 1.890 1.00 0.00 C ATOM 765 C SER A 52 -13.159 -5.328 2.789 1.00 0.00 C ATOM 766 O SER A 52 -14.050 -4.870 3.481 1.00 0.00 O ATOM 767 CB SER A 52 -13.021 -7.818 2.642 1.00 0.00 C ATOM 768 OG SER A 52 -11.610 -7.984 2.599 1.00 0.00 O ATOM 0 H SER A 52 -11.840 -7.131 0.562 1.00 0.00 H new ATOM 0 HA SER A 52 -14.455 -6.584 1.613 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.361 -7.760 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.514 -8.680 2.193 1.00 0.00 H new ATOM 0 HG SER A 52 -11.362 -8.800 3.081 1.00 0.00 H new ATOM 774 N LEU A 53 -11.960 -4.806 2.782 1.00 0.00 N ATOM 775 CA LEU A 53 -11.646 -3.620 3.633 1.00 0.00 C ATOM 776 C LEU A 53 -12.499 -2.433 3.188 1.00 0.00 C ATOM 777 O LEU A 53 -13.163 -1.800 3.987 1.00 0.00 O ATOM 778 CB LEU A 53 -10.165 -3.264 3.486 1.00 0.00 C ATOM 779 CG LEU A 53 -9.339 -4.079 4.482 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.854 -3.955 4.137 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.580 -3.548 5.898 1.00 0.00 C ATOM 0 H LEU A 53 -11.182 -5.152 2.221 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.863 -3.854 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.831 -3.468 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.018 -2.198 3.662 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.637 -5.126 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.266 -4.536 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.682 -4.332 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.555 -2.908 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.992 -4.128 6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.282 -2.501 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.638 -3.637 6.145 1.00 0.00 H new ATOM 793 N GLY A 54 -12.483 -2.126 1.915 1.00 0.00 N ATOM 794 CA GLY A 54 -13.289 -0.979 1.404 1.00 0.00 C ATOM 795 C GLY A 54 -12.651 0.334 1.860 1.00 0.00 C ATOM 796 O GLY A 54 -13.269 1.127 2.547 1.00 0.00 O ATOM 0 H GLY A 54 -11.944 -2.623 1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.340 -1.012 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.312 -1.046 1.773 1.00 0.00 H new ATOM 800 N ILE A 55 -11.422 0.570 1.480 1.00 0.00 N ATOM 801 CA ILE A 55 -10.737 1.829 1.881 1.00 0.00 C ATOM 802 C ILE A 55 -11.352 2.997 1.114 1.00 0.00 C ATOM 803 O ILE A 55 -11.683 2.884 -0.051 1.00 0.00 O ATOM 804 CB ILE A 55 -9.245 1.737 1.554 1.00 0.00 C ATOM 805 CG1 ILE A 55 -8.659 0.465 2.176 1.00 0.00 C ATOM 806 CG2 ILE A 55 -8.522 2.958 2.125 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.209 0.294 1.718 1.00 0.00 C ATOM 0 H ILE A 55 -10.863 -0.061 0.906 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.859 1.982 2.953 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.114 1.706 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.703 0.526 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.249 -0.402 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.459 2.893 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.935 3.865 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.656 2.987 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.792 -0.611 2.160 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.178 0.214 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.623 1.156 2.036 1.00 0.00 H new ATOM 819 N ALA A 56 -11.507 4.114 1.766 1.00 0.00 N ATOM 820 CA ALA A 56 -12.103 5.307 1.096 1.00 0.00 C ATOM 821 C ALA A 56 -11.218 6.530 1.342 1.00 0.00 C ATOM 822 O ALA A 56 -10.153 6.430 1.922 1.00 0.00 O ATOM 823 CB ALA A 56 -13.499 5.565 1.663 1.00 0.00 C ATOM 0 H ALA A 56 -11.245 4.255 2.742 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.174 5.122 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.935 6.436 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.131 4.695 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.428 5.748 2.735 1.00 0.00 H new ATOM 829 N LYS A 57 -11.654 7.683 0.903 1.00 0.00 N ATOM 830 CA LYS A 57 -10.847 8.922 1.102 1.00 0.00 C ATOM 831 C LYS A 57 -10.803 9.276 2.591 1.00 0.00 C ATOM 832 O LYS A 57 -11.683 8.914 3.351 1.00 0.00 O ATOM 833 CB LYS A 57 -11.482 10.078 0.318 1.00 0.00 C ATOM 834 CG LYS A 57 -12.932 10.284 0.775 1.00 0.00 C ATOM 835 CD LYS A 57 -13.805 10.653 -0.427 1.00 0.00 C ATOM 836 CE LYS A 57 -15.118 11.263 0.066 1.00 0.00 C ATOM 837 NZ LYS A 57 -16.222 10.883 -0.861 1.00 0.00 N ATOM 0 H LYS A 57 -12.538 7.819 0.413 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.832 8.753 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.909 10.992 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.455 9.863 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.308 9.375 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.978 11.073 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.280 11.362 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.006 9.767 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.338 10.912 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.030 12.348 0.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.115 11.298 -0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.012 11.239 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.311 9.847 -0.889 1.00 0.00 H new ATOM 851 N GLY A 58 -9.787 9.988 3.010 1.00 0.00 N ATOM 852 CA GLY A 58 -9.675 10.378 4.447 1.00 0.00 C ATOM 853 C GLY A 58 -9.578 9.123 5.316 1.00 0.00 C ATOM 854 O GLY A 58 -10.295 8.976 6.289 1.00 0.00 O ATOM 0 H GLY A 58 -9.027 10.317 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.795 11.004 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.541 10.970 4.742 1.00 0.00 H new ATOM 858 N ALA A 59 -8.697 8.220 4.971 1.00 0.00 N ATOM 859 CA ALA A 59 -8.544 6.970 5.771 1.00 0.00 C ATOM 860 C ALA A 59 -7.088 6.827 6.221 1.00 0.00 C ATOM 861 O ALA A 59 -6.217 7.544 5.766 1.00 0.00 O ATOM 862 CB ALA A 59 -8.931 5.767 4.908 1.00 0.00 C ATOM 0 H ALA A 59 -8.075 8.296 4.166 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.191 7.015 6.647 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.820 4.852 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.967 5.869 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.281 5.722 4.034 1.00 0.00 H new ATOM 868 N GLU A 60 -6.821 5.908 7.114 1.00 0.00 N ATOM 869 CA GLU A 60 -5.424 5.711 7.601 1.00 0.00 C ATOM 870 C GLU A 60 -5.000 4.260 7.366 1.00 0.00 C ATOM 871 O GLU A 60 -5.543 3.344 7.956 1.00 0.00 O ATOM 872 CB GLU A 60 -5.356 6.025 9.096 1.00 0.00 C ATOM 873 CG GLU A 60 -5.515 7.531 9.309 1.00 0.00 C ATOM 874 CD GLU A 60 -5.982 7.799 10.741 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.562 7.072 11.626 1.00 0.00 O ATOM 876 OE2 GLU A 60 -6.752 8.727 10.929 1.00 0.00 O ATOM 0 H GLU A 60 -7.514 5.284 7.528 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.754 6.378 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.141 5.487 9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.404 5.687 9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.567 8.037 9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.236 7.935 8.599 1.00 0.00 H new ATOM 883 N ILE A 61 -4.034 4.048 6.509 1.00 0.00 N ATOM 884 CA ILE A 61 -3.566 2.659 6.229 1.00 0.00 C ATOM 885 C ILE A 61 -2.136 2.491 6.742 1.00 0.00 C ATOM 886 O ILE A 61 -1.467 3.455 7.065 1.00 0.00 O ATOM 887 CB ILE A 61 -3.602 2.403 4.721 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.802 3.490 3.999 1.00 0.00 C ATOM 889 CG2 ILE A 61 -5.051 2.429 4.234 1.00 0.00 C ATOM 890 CD1 ILE A 61 -2.166 2.903 2.738 1.00 0.00 C ATOM 0 H ILE A 61 -3.549 4.780 5.990 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.219 1.946 6.733 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.164 1.428 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.455 4.323 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.030 3.886 4.658 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.077 2.247 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.621 1.655 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.489 3.404 4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.596 3.677 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.500 2.085 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.947 2.528 2.077 1.00 0.00 H new ATOM 902 N THR A 62 -1.665 1.272 6.817 1.00 0.00 N ATOM 903 CA THR A 62 -0.278 1.031 7.308 1.00 0.00 C ATOM 904 C THR A 62 0.451 0.096 6.343 1.00 0.00 C ATOM 905 O THR A 62 -0.159 -0.687 5.640 1.00 0.00 O ATOM 906 CB THR A 62 -0.332 0.390 8.696 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.466 0.878 9.397 1.00 0.00 O ATOM 908 CG2 THR A 62 0.939 0.740 9.471 1.00 0.00 C ATOM 0 H THR A 62 -2.184 0.433 6.558 1.00 0.00 H new ATOM 0 HA THR A 62 0.256 1.980 7.366 1.00 0.00 H new ATOM 0 HB THR A 62 -0.406 -0.693 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.265 0.389 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.900 0.283 10.460 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.809 0.365 8.932 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.016 1.822 9.574 1.00 0.00 H new ATOM 916 N ILE A 63 1.755 0.175 6.307 1.00 0.00 N ATOM 917 CA ILE A 63 2.545 -0.704 5.393 1.00 0.00 C ATOM 918 C ILE A 63 3.733 -1.289 6.168 1.00 0.00 C ATOM 919 O ILE A 63 4.388 -0.601 6.926 1.00 0.00 O ATOM 920 CB ILE A 63 3.040 0.127 4.195 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.837 0.537 3.338 1.00 0.00 C ATOM 922 CG2 ILE A 63 4.011 -0.691 3.333 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.095 1.906 2.700 1.00 0.00 C ATOM 0 H ILE A 63 2.311 0.815 6.875 1.00 0.00 H new ATOM 0 HA ILE A 63 1.925 -1.520 5.023 1.00 0.00 H new ATOM 0 HB ILE A 63 3.559 1.009 4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.661 -0.208 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.938 0.576 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.349 -0.086 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.870 -0.988 3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.505 -1.581 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.236 2.192 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.249 2.649 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.983 1.853 2.071 1.00 0.00 H new ATOM 935 N SER A 64 4.010 -2.553 5.976 1.00 0.00 N ATOM 936 CA SER A 64 5.152 -3.194 6.692 1.00 0.00 C ATOM 937 C SER A 64 5.905 -4.112 5.726 1.00 0.00 C ATOM 938 O SER A 64 5.334 -5.012 5.140 1.00 0.00 O ATOM 939 CB SER A 64 4.620 -4.015 7.866 1.00 0.00 C ATOM 940 OG SER A 64 3.636 -4.926 7.395 1.00 0.00 O ATOM 0 H SER A 64 3.492 -3.171 5.351 1.00 0.00 H new ATOM 0 HA SER A 64 5.828 -2.424 7.065 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.435 -4.558 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.190 -3.356 8.620 1.00 0.00 H new ATOM 0 HG SER A 64 3.923 -5.302 6.537 1.00 0.00 H new ATOM 946 N ALA A 65 7.184 -3.888 5.556 1.00 0.00 N ATOM 947 CA ALA A 65 7.983 -4.741 4.629 1.00 0.00 C ATOM 948 C ALA A 65 9.053 -5.495 5.421 1.00 0.00 C ATOM 949 O ALA A 65 9.774 -4.915 6.212 1.00 0.00 O ATOM 950 CB ALA A 65 8.655 -3.859 3.575 1.00 0.00 C ATOM 0 H ALA A 65 7.709 -3.148 6.022 1.00 0.00 H new ATOM 0 HA ALA A 65 7.324 -5.457 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.239 -4.482 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.893 -3.323 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.313 -3.142 4.066 1.00 0.00 H new ATOM 956 N SER A 66 9.158 -6.783 5.215 1.00 0.00 N ATOM 957 CA SER A 66 10.179 -7.584 5.952 1.00 0.00 C ATOM 958 C SER A 66 10.769 -8.643 5.018 1.00 0.00 C ATOM 959 O SER A 66 10.111 -9.599 4.659 1.00 0.00 O ATOM 960 CB SER A 66 9.520 -8.270 7.149 1.00 0.00 C ATOM 961 OG SER A 66 8.965 -7.282 8.008 1.00 0.00 O ATOM 0 H SER A 66 8.578 -7.315 4.566 1.00 0.00 H new ATOM 0 HA SER A 66 10.974 -6.926 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.741 -8.952 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.254 -8.868 7.690 1.00 0.00 H new ATOM 0 HG SER A 66 8.540 -7.718 8.776 1.00 0.00 H new ATOM 967 N GLY A 67 12.007 -8.476 4.626 1.00 0.00 N ATOM 968 CA GLY A 67 12.650 -9.469 3.714 1.00 0.00 C ATOM 969 C GLY A 67 14.104 -9.068 3.463 1.00 0.00 C ATOM 970 O GLY A 67 14.778 -8.564 4.342 1.00 0.00 O ATOM 0 H GLY A 67 12.601 -7.693 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.608 -10.464 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.107 -9.516 2.770 1.00 0.00 H new ATOM 974 N ALA A 68 14.590 -9.288 2.267 1.00 0.00 N ATOM 975 CA ALA A 68 16.002 -8.924 1.947 1.00 0.00 C ATOM 976 C ALA A 68 16.055 -7.476 1.453 1.00 0.00 C ATOM 977 O ALA A 68 16.810 -6.667 1.959 1.00 0.00 O ATOM 978 CB ALA A 68 16.533 -9.854 0.854 1.00 0.00 C ATOM 0 H ALA A 68 14.067 -9.705 1.497 1.00 0.00 H new ATOM 0 HA ALA A 68 16.616 -9.027 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.564 -9.589 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.494 -10.886 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.920 -9.751 -0.041 1.00 0.00 H new ATOM 984 N ASP A 69 15.256 -7.147 0.470 1.00 0.00 N ATOM 985 CA ASP A 69 15.251 -5.752 -0.064 1.00 0.00 C ATOM 986 C ASP A 69 14.091 -4.972 0.557 1.00 0.00 C ATOM 987 O ASP A 69 13.488 -4.129 -0.081 1.00 0.00 O ATOM 988 CB ASP A 69 15.093 -5.779 -1.589 1.00 0.00 C ATOM 989 CG ASP A 69 13.901 -6.658 -1.979 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.959 -6.728 -1.207 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.951 -7.247 -3.047 1.00 0.00 O ATOM 0 H ASP A 69 14.605 -7.786 0.013 1.00 0.00 H new ATOM 0 HA ASP A 69 16.194 -5.267 0.190 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.947 -4.767 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 69 16.003 -6.162 -2.050 1.00 0.00 H new ATOM 996 N GLU A 70 13.775 -5.248 1.797 1.00 0.00 N ATOM 997 CA GLU A 70 12.654 -4.528 2.470 1.00 0.00 C ATOM 998 C GLU A 70 12.978 -3.034 2.563 1.00 0.00 C ATOM 999 O GLU A 70 12.090 -2.205 2.615 1.00 0.00 O ATOM 1000 CB GLU A 70 12.453 -5.096 3.880 1.00 0.00 C ATOM 1001 CG GLU A 70 13.790 -5.104 4.637 1.00 0.00 C ATOM 1002 CD GLU A 70 13.632 -4.386 5.981 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.594 -4.550 6.599 1.00 0.00 O ATOM 1004 OE2 GLU A 70 14.552 -3.683 6.366 1.00 0.00 O ATOM 0 H GLU A 70 14.248 -5.944 2.374 1.00 0.00 H new ATOM 0 HA GLU A 70 11.742 -4.663 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.722 -4.496 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.053 -6.108 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.120 -6.130 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.559 -4.613 4.040 1.00 0.00 H new ATOM 1011 N ASN A 71 14.242 -2.685 2.584 1.00 0.00 N ATOM 1012 CA ASN A 71 14.624 -1.244 2.673 1.00 0.00 C ATOM 1013 C ASN A 71 14.181 -0.513 1.404 1.00 0.00 C ATOM 1014 O ASN A 71 13.639 0.573 1.461 1.00 0.00 O ATOM 1015 CB ASN A 71 16.142 -1.127 2.826 1.00 0.00 C ATOM 1016 CG ASN A 71 16.505 -1.132 4.312 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.989 -2.119 4.828 1.00 0.00 O ATOM 1018 ND2 ASN A 71 16.289 -0.060 5.025 1.00 0.00 N ATOM 0 H ASN A 71 15.025 -3.338 2.543 1.00 0.00 H new ATOM 0 HA ASN A 71 14.135 -0.794 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.635 -1.956 2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.496 -0.209 2.357 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.527 -0.051 6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.882 0.768 4.590 1.00 0.00 H new ATOM 1025 N ASP A 72 14.413 -1.102 0.260 1.00 0.00 N ATOM 1026 CA ASP A 72 14.011 -0.448 -1.020 1.00 0.00 C ATOM 1027 C ASP A 72 12.502 -0.608 -1.249 1.00 0.00 C ATOM 1028 O ASP A 72 11.917 0.099 -2.047 1.00 0.00 O ATOM 1029 CB ASP A 72 14.769 -1.096 -2.180 1.00 0.00 C ATOM 1030 CG ASP A 72 16.275 -0.997 -1.926 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.745 -1.661 -1.017 1.00 0.00 O ATOM 1032 OD2 ASP A 72 16.930 -0.261 -2.643 1.00 0.00 O ATOM 0 H ASP A 72 14.865 -2.011 0.157 1.00 0.00 H new ATOM 0 HA ASP A 72 14.251 0.614 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.475 -2.141 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.514 -0.600 -3.117 1.00 0.00 H new ATOM 1037 N ALA A 73 11.870 -1.537 -0.570 1.00 0.00 N ATOM 1038 CA ALA A 73 10.404 -1.746 -0.765 1.00 0.00 C ATOM 1039 C ALA A 73 9.599 -0.718 0.040 1.00 0.00 C ATOM 1040 O ALA A 73 8.519 -0.325 -0.360 1.00 0.00 O ATOM 1041 CB ALA A 73 10.030 -3.156 -0.305 1.00 0.00 C ATOM 0 H ALA A 73 12.308 -2.158 0.110 1.00 0.00 H new ATOM 0 HA ALA A 73 10.169 -1.622 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.961 -3.313 -0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.584 -3.889 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.278 -3.272 0.750 1.00 0.00 H new ATOM 1047 N LEU A 74 10.103 -0.293 1.174 1.00 0.00 N ATOM 1048 CA LEU A 74 9.345 0.694 2.003 1.00 0.00 C ATOM 1049 C LEU A 74 9.547 2.116 1.463 1.00 0.00 C ATOM 1050 O LEU A 74 8.626 2.913 1.459 1.00 0.00 O ATOM 1051 CB LEU A 74 9.801 0.615 3.468 1.00 0.00 C ATOM 1052 CG LEU A 74 11.289 0.959 3.587 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.450 2.453 3.889 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.907 0.140 4.724 1.00 0.00 C ATOM 0 H LEU A 74 11.001 -0.585 1.559 1.00 0.00 H new ATOM 0 HA LEU A 74 8.284 0.450 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.213 1.303 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.621 -0.387 3.857 1.00 0.00 H new ATOM 0 HG LEU A 74 11.793 0.725 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.509 2.695 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.007 3.037 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.948 2.691 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.966 0.382 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 74 11.401 0.377 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.794 -0.923 4.510 1.00 0.00 H new ATOM 1066 N ASN A 75 10.734 2.445 1.010 1.00 0.00 N ATOM 1067 CA ASN A 75 10.967 3.824 0.475 1.00 0.00 C ATOM 1068 C ASN A 75 10.460 3.915 -0.968 1.00 0.00 C ATOM 1069 O ASN A 75 10.089 4.975 -1.435 1.00 0.00 O ATOM 1070 CB ASN A 75 12.458 4.179 0.520 1.00 0.00 C ATOM 1071 CG ASN A 75 13.305 3.045 -0.060 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.903 2.385 -0.996 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.477 2.798 0.460 1.00 0.00 N ATOM 0 H ASN A 75 11.544 1.825 0.988 1.00 0.00 H new ATOM 0 HA ASN A 75 10.421 4.532 1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.635 5.096 -0.043 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.759 4.374 1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.056 2.049 0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.813 3.354 1.247 1.00 0.00 H new ATOM 1080 N ALA A 76 10.436 2.812 -1.672 1.00 0.00 N ATOM 1081 CA ALA A 76 9.947 2.828 -3.083 1.00 0.00 C ATOM 1082 C ALA A 76 8.418 2.916 -3.089 1.00 0.00 C ATOM 1083 O ALA A 76 7.824 3.462 -3.999 1.00 0.00 O ATOM 1084 CB ALA A 76 10.386 1.546 -3.793 1.00 0.00 C ATOM 0 H ALA A 76 10.735 1.899 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 76 10.365 3.690 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.028 1.559 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.474 1.482 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.969 0.682 -3.275 1.00 0.00 H new ATOM 1090 N LEU A 77 7.780 2.389 -2.074 1.00 0.00 N ATOM 1091 CA LEU A 77 6.291 2.444 -2.010 1.00 0.00 C ATOM 1092 C LEU A 77 5.871 3.806 -1.458 1.00 0.00 C ATOM 1093 O LEU A 77 4.841 4.344 -1.817 1.00 0.00 O ATOM 1094 CB LEU A 77 5.776 1.335 -1.089 1.00 0.00 C ATOM 1095 CG LEU A 77 5.720 0.014 -1.859 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.617 -1.149 -0.870 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.496 0.012 -2.776 1.00 0.00 C ATOM 0 H LEU A 77 8.229 1.922 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 77 5.872 2.303 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.430 1.235 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.785 1.591 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 77 6.624 -0.097 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.577 -2.090 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.488 -1.147 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.713 -1.039 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.455 -0.928 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.592 0.122 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.568 0.841 -3.480 1.00 0.00 H new ATOM 1109 N GLU A 78 6.674 4.365 -0.591 1.00 0.00 N ATOM 1110 CA GLU A 78 6.351 5.696 -0.005 1.00 0.00 C ATOM 1111 C GLU A 78 6.324 6.746 -1.120 1.00 0.00 C ATOM 1112 O GLU A 78 5.378 7.500 -1.251 1.00 0.00 O ATOM 1113 CB GLU A 78 7.430 6.056 1.022 1.00 0.00 C ATOM 1114 CG GLU A 78 7.103 7.401 1.681 1.00 0.00 C ATOM 1115 CD GLU A 78 8.386 8.220 1.845 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.141 8.299 0.890 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.590 8.754 2.923 1.00 0.00 O ATOM 0 H GLU A 78 7.547 3.952 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 78 5.376 5.667 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.495 5.277 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.404 6.108 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.385 7.950 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.638 7.237 2.653 1.00 0.00 H new ATOM 1124 N GLU A 79 7.357 6.797 -1.923 1.00 0.00 N ATOM 1125 CA GLU A 79 7.401 7.795 -3.033 1.00 0.00 C ATOM 1126 C GLU A 79 6.273 7.507 -4.028 1.00 0.00 C ATOM 1127 O GLU A 79 5.713 8.411 -4.619 1.00 0.00 O ATOM 1128 CB GLU A 79 8.754 7.710 -3.749 1.00 0.00 C ATOM 1129 CG GLU A 79 8.991 6.281 -4.245 1.00 0.00 C ATOM 1130 CD GLU A 79 8.593 6.176 -5.719 1.00 0.00 C ATOM 1131 OE1 GLU A 79 8.883 7.102 -6.459 1.00 0.00 O ATOM 1132 OE2 GLU A 79 8.004 5.172 -6.084 1.00 0.00 O ATOM 0 H GLU A 79 8.173 6.189 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 79 7.273 8.797 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.775 8.404 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.554 8.006 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.040 6.012 -4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.409 5.578 -3.650 1.00 0.00 H new ATOM 1139 N THR A 80 5.934 6.253 -4.213 1.00 0.00 N ATOM 1140 CA THR A 80 4.840 5.902 -5.168 1.00 0.00 C ATOM 1141 C THR A 80 3.528 6.546 -4.704 1.00 0.00 C ATOM 1142 O THR A 80 2.731 6.995 -5.506 1.00 0.00 O ATOM 1143 CB THR A 80 4.674 4.380 -5.222 1.00 0.00 C ATOM 1144 OG1 THR A 80 5.918 3.783 -5.557 1.00 0.00 O ATOM 1145 CG2 THR A 80 3.630 4.010 -6.277 1.00 0.00 C ATOM 0 H THR A 80 6.369 5.459 -3.743 1.00 0.00 H new ATOM 0 HA THR A 80 5.094 6.273 -6.161 1.00 0.00 H new ATOM 0 HB THR A 80 4.344 4.018 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.643 4.258 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.516 2.927 -6.311 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.675 4.468 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.955 4.372 -7.253 1.00 0.00 H new ATOM 1153 N MET A 81 3.303 6.595 -3.415 1.00 0.00 N ATOM 1154 CA MET A 81 2.048 7.210 -2.890 1.00 0.00 C ATOM 1155 C MET A 81 2.038 8.703 -3.219 1.00 0.00 C ATOM 1156 O MET A 81 1.023 9.255 -3.604 1.00 0.00 O ATOM 1157 CB MET A 81 1.982 7.025 -1.374 1.00 0.00 C ATOM 1158 CG MET A 81 1.393 5.650 -1.050 1.00 0.00 C ATOM 1159 SD MET A 81 0.544 5.718 0.548 1.00 0.00 S ATOM 1160 CE MET A 81 -1.147 5.608 -0.087 1.00 0.00 C ATOM 0 H MET A 81 3.937 6.234 -2.702 1.00 0.00 H new ATOM 0 HA MET A 81 1.187 6.727 -3.352 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.979 7.116 -0.943 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.369 7.809 -0.928 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.696 5.348 -1.832 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.184 4.901 -1.022 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.850 5.633 0.745 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.342 6.450 -0.752 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.269 4.675 -0.638 1.00 0.00 H new ATOM 1170 N LYS A 82 3.161 9.361 -3.069 1.00 0.00 N ATOM 1171 CA LYS A 82 3.225 10.822 -3.371 1.00 0.00 C ATOM 1172 C LYS A 82 3.661 11.045 -4.827 1.00 0.00 C ATOM 1173 O LYS A 82 4.098 12.123 -5.186 1.00 0.00 O ATOM 1174 CB LYS A 82 4.232 11.493 -2.434 1.00 0.00 C ATOM 1175 CG LYS A 82 3.822 11.245 -0.980 1.00 0.00 C ATOM 1176 CD LYS A 82 4.272 12.423 -0.105 1.00 0.00 C ATOM 1177 CE LYS A 82 5.531 12.035 0.677 1.00 0.00 C ATOM 1178 NZ LYS A 82 6.415 13.226 0.816 1.00 0.00 N ATOM 0 H LYS A 82 4.037 8.947 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 82 2.236 11.256 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.231 11.097 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.273 12.564 -2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.741 11.123 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.271 10.320 -0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.473 13.295 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.475 12.701 0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.258 11.654 1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.060 11.234 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.270 12.964 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.685 13.570 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.908 13.977 1.326 1.00 0.00 H new ATOM 1192 N SER A 83 3.544 10.043 -5.668 1.00 0.00 N ATOM 1193 CA SER A 83 3.946 10.208 -7.095 1.00 0.00 C ATOM 1194 C SER A 83 2.744 10.699 -7.902 1.00 0.00 C ATOM 1195 O SER A 83 2.877 11.514 -8.796 1.00 0.00 O ATOM 1196 CB SER A 83 4.420 8.864 -7.651 1.00 0.00 C ATOM 1197 OG SER A 83 3.299 8.007 -7.827 1.00 0.00 O ATOM 0 H SER A 83 3.187 9.119 -5.424 1.00 0.00 H new ATOM 0 HA SER A 83 4.756 10.934 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.933 9.011 -8.602 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.138 8.408 -6.969 1.00 0.00 H new ATOM 0 HG SER A 83 2.843 7.885 -6.968 1.00 0.00 H new ATOM 1203 N GLU A 84 1.571 10.209 -7.591 1.00 0.00 N ATOM 1204 CA GLU A 84 0.350 10.641 -8.333 1.00 0.00 C ATOM 1205 C GLU A 84 -0.553 11.454 -7.401 1.00 0.00 C ATOM 1206 O GLU A 84 -1.280 12.327 -7.836 1.00 0.00 O ATOM 1207 CB GLU A 84 -0.409 9.410 -8.833 1.00 0.00 C ATOM 1208 CG GLU A 84 0.306 8.832 -10.056 1.00 0.00 C ATOM 1209 CD GLU A 84 0.015 7.333 -10.156 1.00 0.00 C ATOM 1210 OE1 GLU A 84 -1.091 6.941 -9.824 1.00 0.00 O ATOM 1211 OE2 GLU A 84 0.904 6.604 -10.565 1.00 0.00 O ATOM 0 H GLU A 84 1.407 9.526 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 84 0.642 11.256 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.467 8.660 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.433 9.681 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.030 9.340 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.380 9.000 -9.976 1.00 0.00 H new ATOM 1218 N GLY A 85 -0.513 11.170 -6.122 1.00 0.00 N ATOM 1219 CA GLY A 85 -1.365 11.918 -5.156 1.00 0.00 C ATOM 1220 C GLY A 85 -2.384 10.965 -4.532 1.00 0.00 C ATOM 1221 O GLY A 85 -3.518 11.332 -4.282 1.00 0.00 O ATOM 0 H GLY A 85 0.077 10.449 -5.707 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.746 12.365 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.878 12.735 -5.664 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.988 9.743 -4.281 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.926 8.754 -3.674 1.00 0.00 C ATOM 1227 C LEU A 86 -2.929 8.916 -2.152 1.00 0.00 C ATOM 1228 O LEU A 86 -3.915 8.639 -1.495 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.476 7.337 -4.036 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.699 7.098 -5.530 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.896 5.875 -5.979 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -4.186 6.853 -5.790 1.00 0.00 C ATOM 0 H LEU A 86 -1.051 9.387 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.932 8.926 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.423 7.204 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.035 6.606 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.370 7.973 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.056 5.706 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.836 6.048 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.224 4.999 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.346 6.683 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.514 5.978 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.759 7.724 -5.472 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.835 9.361 -1.588 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.768 9.544 -0.109 1.00 0.00 C ATOM 1246 C GLY A 87 -0.413 10.147 0.271 1.00 0.00 C ATOM 1247 O GLY A 87 0.373 10.509 -0.584 1.00 0.00 O ATOM 0 H GLY A 87 -0.983 9.606 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.575 10.197 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.905 8.586 0.393 1.00 0.00 H new ATOM 1251 N GLU A 88 -0.138 10.254 1.547 1.00 0.00 N ATOM 1252 CA GLU A 88 1.167 10.831 1.988 1.00 0.00 C ATOM 1253 C GLU A 88 1.446 10.422 3.437 1.00 0.00 C ATOM 1254 O GLU A 88 0.562 10.589 4.261 1.00 0.00 O ATOM 1255 CB GLU A 88 1.112 12.358 1.891 1.00 0.00 C ATOM 1256 CG GLU A 88 -0.097 12.882 2.670 1.00 0.00 C ATOM 1257 CD GLU A 88 -0.244 14.386 2.431 1.00 0.00 C ATOM 1258 OE1 GLU A 88 -0.705 14.810 1.286 1.00 0.00 O ATOM 1259 OE2 GLU A 88 0.065 15.184 3.294 1.00 0.00 O ATOM 1260 OXT GLU A 88 2.540 9.948 3.696 1.00 0.00 O ATOM 0 H GLU A 88 -0.761 9.967 2.302 1.00 0.00 H new ATOM 0 HA GLU A 88 1.963 10.455 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.029 12.791 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.044 12.663 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.001 12.362 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.028 12.682 3.734 1.00 0.00 H new TER 1267 GLU A 88