USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 477 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 GLN : amide:sc= -0.75 K(o=-0.75,f=-2) USER MOD Set 2.1: A 33 CYS SG : rot -124:sc= 0.0371 USER MOD Set 2.2: A 35 ASN : amide:sc= -0.0483 X(o=-0.011,f=-0.17) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.056 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0353 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0445 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.356 K(o=-0.36,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0501 (180deg=-0.333) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.339 K(o=-0.34,f=-5.6!) USER MOD Single : A 50 ASN : amide:sc= -0.861 X(o=-0.86,f=-1.3) USER MOD Single : A 51 THR OG1 : rot 160:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.798 X(o=-0.8,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0998 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.466 15.150 14.759 1.00 0.00 N ATOM 2 CA GLY A 1 6.394 15.155 13.309 1.00 0.00 C ATOM 3 C GLY A 1 7.744 15.396 12.663 1.00 0.00 C ATOM 4 O GLY A 1 8.652 15.943 13.290 1.00 0.00 O ATOM 0 H1 GLY A 1 6.361 14.176 15.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.386 15.529 15.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.703 15.741 15.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.995 14.201 12.965 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.697 15.928 12.985 1.00 0.00 H new ATOM 8 N SER A 2 7.878 14.987 11.405 1.00 0.00 N ATOM 9 CA SER A 2 9.128 15.156 10.675 1.00 0.00 C ATOM 10 C SER A 2 8.863 15.408 9.194 1.00 0.00 C ATOM 11 O SER A 2 7.950 14.827 8.608 1.00 0.00 O ATOM 12 CB SER A 2 10.013 13.920 10.843 1.00 0.00 C ATOM 13 OG SER A 2 10.124 13.554 12.208 1.00 0.00 O ATOM 0 H SER A 2 7.135 14.536 10.871 1.00 0.00 H new ATOM 0 HA SER A 2 9.645 16.023 11.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.595 13.090 10.273 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.004 14.120 10.435 1.00 0.00 H new ATOM 0 HG SER A 2 10.693 12.760 12.289 1.00 0.00 H new ATOM 19 N SER A 3 9.668 16.279 8.595 1.00 0.00 N ATOM 20 CA SER A 3 9.519 16.612 7.183 1.00 0.00 C ATOM 21 C SER A 3 10.300 15.636 6.309 1.00 0.00 C ATOM 22 O SER A 3 11.489 15.407 6.523 1.00 0.00 O ATOM 23 CB SER A 3 9.996 18.042 6.921 1.00 0.00 C ATOM 24 OG SER A 3 9.351 18.596 5.788 1.00 0.00 O ATOM 0 H SER A 3 10.430 16.767 9.065 1.00 0.00 H new ATOM 0 HA SER A 3 8.462 16.536 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.796 18.661 7.796 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.075 18.046 6.767 1.00 0.00 H new ATOM 0 HG SER A 3 9.672 19.511 5.643 1.00 0.00 H new ATOM 30 N GLY A 4 9.620 15.061 5.321 1.00 0.00 N ATOM 31 CA GLY A 4 10.264 14.115 4.429 1.00 0.00 C ATOM 32 C GLY A 4 11.199 14.791 3.445 1.00 0.00 C ATOM 33 O GLY A 4 10.834 15.026 2.293 1.00 0.00 O ATOM 0 H GLY A 4 8.634 15.234 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.824 13.389 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.502 13.561 3.880 1.00 0.00 H new ATOM 37 N SER A 5 12.408 15.105 3.900 1.00 0.00 N ATOM 38 CA SER A 5 13.396 15.763 3.053 1.00 0.00 C ATOM 39 C SER A 5 13.697 14.922 1.816 1.00 0.00 C ATOM 40 O SER A 5 13.917 13.715 1.910 1.00 0.00 O ATOM 41 CB SER A 5 14.685 16.015 3.838 1.00 0.00 C ATOM 42 OG SER A 5 14.410 16.242 5.209 1.00 0.00 O ATOM 0 H SER A 5 12.727 14.914 4.850 1.00 0.00 H new ATOM 0 HA SER A 5 12.983 16.719 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.351 15.158 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.206 16.877 3.421 1.00 0.00 H new ATOM 0 HG SER A 5 15.250 16.399 5.689 1.00 0.00 H new ATOM 48 N SER A 6 13.703 15.570 0.655 1.00 0.00 N ATOM 49 CA SER A 6 13.973 14.883 -0.602 1.00 0.00 C ATOM 50 C SER A 6 15.280 15.371 -1.219 1.00 0.00 C ATOM 51 O SER A 6 15.302 16.355 -1.957 1.00 0.00 O ATOM 52 CB SER A 6 12.820 15.101 -1.584 1.00 0.00 C ATOM 53 OG SER A 6 12.790 14.083 -2.569 1.00 0.00 O ATOM 0 H SER A 6 13.524 16.570 0.559 1.00 0.00 H new ATOM 0 HA SER A 6 14.067 13.818 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.874 15.115 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.926 16.073 -2.065 1.00 0.00 H new ATOM 0 HG SER A 6 12.044 14.244 -3.183 1.00 0.00 H new ATOM 59 N GLY A 7 16.370 14.675 -0.909 1.00 0.00 N ATOM 60 CA GLY A 7 17.667 15.052 -1.440 1.00 0.00 C ATOM 61 C GLY A 7 18.813 14.458 -0.646 1.00 0.00 C ATOM 62 O GLY A 7 19.900 14.240 -1.181 1.00 0.00 O ATOM 0 H GLY A 7 16.378 13.857 -0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.740 14.726 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.754 16.139 -1.441 1.00 0.00 H new ATOM 66 N GLU A 8 18.571 14.198 0.635 1.00 0.00 N ATOM 67 CA GLU A 8 19.594 13.628 1.505 1.00 0.00 C ATOM 68 C GLU A 8 19.891 12.182 1.120 1.00 0.00 C ATOM 69 O GLU A 8 18.980 11.366 0.980 1.00 0.00 O ATOM 70 CB GLU A 8 19.148 13.697 2.967 1.00 0.00 C ATOM 71 CG GLU A 8 19.062 15.113 3.511 1.00 0.00 C ATOM 72 CD GLU A 8 20.426 15.735 3.738 1.00 0.00 C ATOM 73 OE1 GLU A 8 21.435 15.111 3.346 1.00 0.00 O ATOM 74 OE2 GLU A 8 20.486 16.844 4.308 1.00 0.00 O ATOM 0 H GLU A 8 17.677 14.373 1.093 1.00 0.00 H new ATOM 0 HA GLU A 8 20.506 14.213 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.173 13.220 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 8 19.845 13.124 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.496 15.732 2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.510 15.104 4.451 1.00 0.00 H new ATOM 81 N ILE A 9 21.172 11.872 0.950 1.00 0.00 N ATOM 82 CA ILE A 9 21.590 10.525 0.582 1.00 0.00 C ATOM 83 C ILE A 9 21.266 9.528 1.689 1.00 0.00 C ATOM 84 O ILE A 9 21.034 8.347 1.427 1.00 0.00 O ATOM 85 CB ILE A 9 23.099 10.467 0.279 1.00 0.00 C ATOM 86 CG1 ILE A 9 23.905 10.876 1.513 1.00 0.00 C ATOM 87 CG2 ILE A 9 23.437 11.363 -0.903 1.00 0.00 C ATOM 88 CD1 ILE A 9 24.278 9.713 2.405 1.00 0.00 C ATOM 0 H ILE A 9 21.938 12.536 1.061 1.00 0.00 H new ATOM 0 HA ILE A 9 21.037 10.257 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 9 23.363 9.442 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 9 24.815 11.383 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.327 11.596 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 9 24.507 11.311 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.885 11.029 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 9 23.161 12.392 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 9 24.848 10.078 3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 9 23.372 9.219 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 9 24.883 9.002 1.842 1.00 0.00 H new ATOM 100 N SER A 10 21.250 10.010 2.927 1.00 0.00 N ATOM 101 CA SER A 10 20.957 9.161 4.075 1.00 0.00 C ATOM 102 C SER A 10 19.451 9.055 4.302 1.00 0.00 C ATOM 103 O SER A 10 18.731 10.050 4.234 1.00 0.00 O ATOM 104 CB SER A 10 21.636 9.711 5.331 1.00 0.00 C ATOM 105 OG SER A 10 21.862 8.684 6.280 1.00 0.00 O ATOM 0 H SER A 10 21.437 10.985 3.161 1.00 0.00 H new ATOM 0 HA SER A 10 21.347 8.165 3.867 1.00 0.00 H new ATOM 0 HB2 SER A 10 22.584 10.176 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 10 21.014 10.489 5.774 1.00 0.00 H new ATOM 0 HG SER A 10 22.298 9.061 7.072 1.00 0.00 H new ATOM 111 N GLY A 11 18.984 7.840 4.573 1.00 0.00 N ATOM 112 CA GLY A 11 17.567 7.626 4.806 1.00 0.00 C ATOM 113 C GLY A 11 16.876 6.981 3.620 1.00 0.00 C ATOM 114 O GLY A 11 17.357 7.067 2.490 1.00 0.00 O ATOM 0 H GLY A 11 19.561 7.001 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.438 6.995 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.090 8.581 5.026 1.00 0.00 H new ATOM 118 N PHE A 12 15.745 6.333 3.878 1.00 0.00 N ATOM 119 CA PHE A 12 14.988 5.668 2.823 1.00 0.00 C ATOM 120 C PHE A 12 14.150 6.674 2.040 1.00 0.00 C ATOM 121 O PHE A 12 13.329 7.392 2.609 1.00 0.00 O ATOM 122 CB PHE A 12 14.083 4.588 3.419 1.00 0.00 C ATOM 123 CG PHE A 12 14.787 3.283 3.661 1.00 0.00 C ATOM 124 CD1 PHE A 12 15.109 2.448 2.603 1.00 0.00 C ATOM 125 CD2 PHE A 12 15.126 2.891 4.946 1.00 0.00 C ATOM 126 CE1 PHE A 12 15.757 1.247 2.821 1.00 0.00 C ATOM 127 CE2 PHE A 12 15.775 1.691 5.170 1.00 0.00 C ATOM 128 CZ PHE A 12 16.089 0.868 4.107 1.00 0.00 C ATOM 0 H PHE A 12 15.332 6.254 4.807 1.00 0.00 H new ATOM 0 HA PHE A 12 15.697 5.201 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 12 13.671 4.950 4.361 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.242 4.419 2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 12 14.850 2.739 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 12 14.881 3.530 5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 12 16.003 0.606 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 12 16.036 1.398 6.176 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.594 -0.071 4.281 1.00 0.00 H new ATOM 138 N GLY A 13 14.363 6.720 0.728 1.00 0.00 N ATOM 139 CA GLY A 13 13.621 7.640 -0.113 1.00 0.00 C ATOM 140 C GLY A 13 12.633 6.931 -1.018 1.00 0.00 C ATOM 141 O GLY A 13 12.236 7.466 -2.053 1.00 0.00 O ATOM 0 H GLY A 13 15.037 6.136 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.086 8.352 0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.319 8.214 -0.722 1.00 0.00 H new ATOM 145 N GLN A 14 12.237 5.724 -0.628 1.00 0.00 N ATOM 146 CA GLN A 14 11.291 4.940 -1.413 1.00 0.00 C ATOM 147 C GLN A 14 9.938 5.640 -1.493 1.00 0.00 C ATOM 148 O GLN A 14 9.556 6.380 -0.585 1.00 0.00 O ATOM 149 CB GLN A 14 11.122 3.547 -0.806 1.00 0.00 C ATOM 150 CG GLN A 14 12.333 2.648 -1.001 1.00 0.00 C ATOM 151 CD GLN A 14 12.063 1.211 -0.600 1.00 0.00 C ATOM 152 OE1 GLN A 14 12.078 0.871 0.584 1.00 0.00 O ATOM 153 NE2 GLN A 14 11.813 0.357 -1.586 1.00 0.00 N ATOM 0 H GLN A 14 12.556 5.268 0.227 1.00 0.00 H new ATOM 0 HA GLN A 14 11.690 4.842 -2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.921 3.646 0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.249 3.069 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.639 2.678 -2.047 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.166 3.035 -0.414 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.810 0.681 -2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.624 -0.623 -1.376 1.00 0.00 H new ATOM 162 N CYS A 15 9.218 5.403 -2.584 1.00 0.00 N ATOM 163 CA CYS A 15 7.908 6.012 -2.782 1.00 0.00 C ATOM 164 C CYS A 15 6.809 5.150 -2.168 1.00 0.00 C ATOM 165 O CYS A 15 7.079 4.084 -1.614 1.00 0.00 O ATOM 166 CB CYS A 15 7.638 6.216 -4.274 1.00 0.00 C ATOM 167 SG CYS A 15 8.314 7.754 -4.942 1.00 0.00 S ATOM 0 H CYS A 15 9.519 4.794 -3.345 1.00 0.00 H new ATOM 0 HA CYS A 15 7.906 6.981 -2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.059 5.376 -4.827 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.561 6.201 -4.443 1.00 0.00 H new ATOM 0 HG CYS A 15 8.037 7.835 -6.209 1.00 0.00 H new ATOM 173 N LEU A 16 5.571 5.620 -2.268 1.00 0.00 N ATOM 174 CA LEU A 16 4.430 4.894 -1.721 1.00 0.00 C ATOM 175 C LEU A 16 3.167 5.175 -2.529 1.00 0.00 C ATOM 176 O LEU A 16 2.808 6.330 -2.758 1.00 0.00 O ATOM 177 CB LEU A 16 4.209 5.280 -0.257 1.00 0.00 C ATOM 178 CG LEU A 16 3.567 4.213 0.629 1.00 0.00 C ATOM 179 CD1 LEU A 16 4.491 3.014 0.776 1.00 0.00 C ATOM 180 CD2 LEU A 16 3.218 4.791 1.993 1.00 0.00 C ATOM 0 H LEU A 16 5.331 6.501 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 16 4.647 3.828 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.172 5.551 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.584 6.172 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 16 2.646 3.879 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.017 2.265 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.689 2.585 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.430 3.332 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.762 4.017 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.125 5.154 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.517 5.617 1.870 1.00 0.00 H new ATOM 192 N VAL A 17 2.496 4.110 -2.956 1.00 0.00 N ATOM 193 CA VAL A 17 1.271 4.241 -3.736 1.00 0.00 C ATOM 194 C VAL A 17 0.109 3.522 -3.059 1.00 0.00 C ATOM 195 O VAL A 17 0.305 2.530 -2.357 1.00 0.00 O ATOM 196 CB VAL A 17 1.448 3.681 -5.159 1.00 0.00 C ATOM 197 CG1 VAL A 17 2.296 4.621 -6.002 1.00 0.00 C ATOM 198 CG2 VAL A 17 2.066 2.291 -5.111 1.00 0.00 C ATOM 0 H VAL A 17 2.780 3.147 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 17 1.049 5.306 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 17 0.465 3.602 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.410 4.208 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.809 5.594 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.278 4.735 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.184 1.910 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.041 2.343 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.416 1.623 -4.546 1.00 0.00 H new ATOM 208 N TRP A 18 -1.099 4.028 -3.276 1.00 0.00 N ATOM 209 CA TRP A 18 -2.294 3.434 -2.687 1.00 0.00 C ATOM 210 C TRP A 18 -3.381 3.241 -3.738 1.00 0.00 C ATOM 211 O TRP A 18 -3.596 4.105 -4.588 1.00 0.00 O ATOM 212 CB TRP A 18 -2.817 4.311 -1.549 1.00 0.00 C ATOM 213 CG TRP A 18 -1.840 4.471 -0.424 1.00 0.00 C ATOM 214 CD1 TRP A 18 -0.817 5.373 -0.350 1.00 0.00 C ATOM 215 CD2 TRP A 18 -1.792 3.707 0.786 1.00 0.00 C ATOM 216 NE1 TRP A 18 -0.136 5.215 0.834 1.00 0.00 N ATOM 217 CE2 TRP A 18 -0.715 4.200 1.548 1.00 0.00 C ATOM 218 CE3 TRP A 18 -2.556 2.655 1.300 1.00 0.00 C ATOM 219 CZ2 TRP A 18 -0.385 3.676 2.795 1.00 0.00 C ATOM 220 CZ3 TRP A 18 -2.226 2.136 2.537 1.00 0.00 C ATOM 221 CH2 TRP A 18 -1.149 2.646 3.274 1.00 0.00 C ATOM 0 H TRP A 18 -1.278 4.848 -3.855 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.024 2.456 -2.288 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.069 5.295 -1.945 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.739 3.878 -1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.578 6.103 -1.110 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.670 5.765 1.132 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.389 2.255 0.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.445 4.068 3.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.809 1.322 2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.917 2.218 4.238 1.00 0.00 H new ATOM 232 N VAL A 19 -4.065 2.103 -3.675 1.00 0.00 N ATOM 233 CA VAL A 19 -5.131 1.798 -4.621 1.00 0.00 C ATOM 234 C VAL A 19 -6.433 1.474 -3.897 1.00 0.00 C ATOM 235 O VAL A 19 -6.455 0.658 -2.976 1.00 0.00 O ATOM 236 CB VAL A 19 -4.753 0.613 -5.530 1.00 0.00 C ATOM 237 CG1 VAL A 19 -3.731 1.043 -6.571 1.00 0.00 C ATOM 238 CG2 VAL A 19 -4.225 -0.547 -4.700 1.00 0.00 C ATOM 0 H VAL A 19 -3.899 1.377 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.272 2.687 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.649 0.278 -6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.476 0.193 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.151 1.840 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.833 1.405 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.963 -1.376 -5.358 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.341 -0.227 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.993 -0.871 -3.997 1.00 0.00 H new ATOM 248 N GLN A 20 -7.515 2.118 -4.320 1.00 0.00 N ATOM 249 CA GLN A 20 -8.822 1.898 -3.711 1.00 0.00 C ATOM 250 C GLN A 20 -9.593 0.812 -4.454 1.00 0.00 C ATOM 251 O GLN A 20 -9.675 0.825 -5.683 1.00 0.00 O ATOM 252 CB GLN A 20 -9.629 3.197 -3.701 1.00 0.00 C ATOM 253 CG GLN A 20 -10.795 3.182 -2.726 1.00 0.00 C ATOM 254 CD GLN A 20 -11.710 4.379 -2.892 1.00 0.00 C ATOM 255 OE1 GLN A 20 -11.851 4.920 -3.989 1.00 0.00 O ATOM 256 NE2 GLN A 20 -12.339 4.799 -1.800 1.00 0.00 N ATOM 0 H GLN A 20 -7.513 2.796 -5.082 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.665 1.568 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.966 4.025 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.008 3.387 -4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.370 2.267 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.411 3.162 -1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.193 4.320 -0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.968 5.600 -1.850 1.00 0.00 H new ATOM 265 N CYS A 21 -10.157 -0.127 -3.702 1.00 0.00 N ATOM 266 CA CYS A 21 -10.921 -1.221 -4.288 1.00 0.00 C ATOM 267 C CYS A 21 -11.992 -0.689 -5.237 1.00 0.00 C ATOM 268 O CYS A 21 -12.405 0.466 -5.138 1.00 0.00 O ATOM 269 CB CYS A 21 -11.572 -2.063 -3.189 1.00 0.00 C ATOM 270 SG CYS A 21 -12.139 -3.702 -3.745 1.00 0.00 S ATOM 0 H CYS A 21 -10.099 -0.152 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.233 -1.847 -4.857 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.858 -2.194 -2.376 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.422 -1.515 -2.782 1.00 0.00 H new ATOM 275 N SER A 22 -12.435 -1.541 -6.156 1.00 0.00 N ATOM 276 CA SER A 22 -13.455 -1.156 -7.125 1.00 0.00 C ATOM 277 C SER A 22 -14.853 -1.327 -6.540 1.00 0.00 C ATOM 278 O SER A 22 -15.795 -0.645 -6.944 1.00 0.00 O ATOM 279 CB SER A 22 -13.318 -1.992 -8.400 1.00 0.00 C ATOM 280 OG SER A 22 -14.486 -1.901 -9.197 1.00 0.00 O ATOM 0 H SER A 22 -12.104 -2.501 -6.250 1.00 0.00 H new ATOM 0 HA SER A 22 -13.309 -0.104 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.456 -1.650 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.133 -3.034 -8.138 1.00 0.00 H new ATOM 0 HG SER A 22 -14.373 -2.442 -10.006 1.00 0.00 H new ATOM 286 N PHE A 23 -14.980 -2.242 -5.584 1.00 0.00 N ATOM 287 CA PHE A 23 -16.263 -2.505 -4.943 1.00 0.00 C ATOM 288 C PHE A 23 -16.617 -1.392 -3.961 1.00 0.00 C ATOM 289 O PHE A 23 -15.756 -0.824 -3.290 1.00 0.00 O ATOM 290 CB PHE A 23 -16.227 -3.850 -4.215 1.00 0.00 C ATOM 291 CG PHE A 23 -16.026 -5.022 -5.132 1.00 0.00 C ATOM 292 CD1 PHE A 23 -16.970 -5.334 -6.098 1.00 0.00 C ATOM 293 CD2 PHE A 23 -14.893 -5.813 -5.029 1.00 0.00 C ATOM 294 CE1 PHE A 23 -16.787 -6.412 -6.943 1.00 0.00 C ATOM 295 CE2 PHE A 23 -14.704 -6.892 -5.872 1.00 0.00 C ATOM 296 CZ PHE A 23 -15.652 -7.192 -6.830 1.00 0.00 C ATOM 0 H PHE A 23 -14.210 -2.814 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 23 -17.029 -2.540 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -15.424 -3.834 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -17.160 -3.983 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.859 -4.728 -6.191 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -14.149 -5.584 -4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -17.530 -6.645 -7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.816 -7.500 -5.781 1.00 0.00 H new ATOM 0 HZ PHE A 23 -15.507 -8.035 -7.490 1.00 0.00 H new ATOM 306 N PRO A 24 -17.917 -1.072 -3.874 1.00 0.00 N ATOM 307 CA PRO A 24 -18.417 -0.025 -2.977 1.00 0.00 C ATOM 308 C PRO A 24 -18.316 -0.423 -1.509 1.00 0.00 C ATOM 309 O PRO A 24 -17.822 0.342 -0.681 1.00 0.00 O ATOM 310 CB PRO A 24 -19.883 0.126 -3.391 1.00 0.00 C ATOM 311 CG PRO A 24 -20.247 -1.191 -3.983 1.00 0.00 C ATOM 312 CD PRO A 24 -18.999 -1.708 -4.644 1.00 0.00 C ATOM 0 HA PRO A 24 -17.839 0.895 -3.062 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.514 0.363 -2.534 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.009 0.933 -4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.596 -1.881 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.056 -1.084 -4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.940 -2.795 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.958 -1.432 -5.698 1.00 0.00 H new ATOM 320 N ASN A 25 -18.787 -1.625 -1.192 1.00 0.00 N ATOM 321 CA ASN A 25 -18.750 -2.124 0.178 1.00 0.00 C ATOM 322 C ASN A 25 -17.324 -2.115 0.721 1.00 0.00 C ATOM 323 O ASN A 25 -17.110 -2.055 1.932 1.00 0.00 O ATOM 324 CB ASN A 25 -19.323 -3.541 0.242 1.00 0.00 C ATOM 325 CG ASN A 25 -18.718 -4.458 -0.804 1.00 0.00 C ATOM 326 OD1 ASN A 25 -17.504 -4.660 -0.841 1.00 0.00 O ATOM 327 ND2 ASN A 25 -19.564 -5.017 -1.661 1.00 0.00 N ATOM 0 H ASN A 25 -19.199 -2.271 -1.865 1.00 0.00 H new ATOM 0 HA ASN A 25 -19.360 -1.465 0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -19.144 -3.958 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -20.403 -3.500 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.215 -5.642 -2.387 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.563 -4.821 -1.593 1.00 0.00 H new ATOM 334 N CYS A 26 -16.352 -2.175 -0.183 1.00 0.00 N ATOM 335 CA CYS A 26 -14.946 -2.173 0.204 1.00 0.00 C ATOM 336 C CYS A 26 -14.423 -0.747 0.348 1.00 0.00 C ATOM 337 O CYS A 26 -14.245 -0.249 1.459 1.00 0.00 O ATOM 338 CB CYS A 26 -14.111 -2.933 -0.828 1.00 0.00 C ATOM 339 SG CYS A 26 -13.504 -4.550 -0.249 1.00 0.00 S ATOM 0 H CYS A 26 -16.512 -2.226 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.860 -2.671 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.711 -3.082 -1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -13.258 -2.318 -1.113 1.00 0.00 H new ATOM 344 N GLY A 27 -14.179 -0.095 -0.784 1.00 0.00 N ATOM 345 CA GLY A 27 -13.679 1.267 -0.763 1.00 0.00 C ATOM 346 C GLY A 27 -12.457 1.423 0.121 1.00 0.00 C ATOM 347 O GLY A 27 -12.204 2.500 0.661 1.00 0.00 O ATOM 0 H GLY A 27 -14.319 -0.486 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.431 1.575 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.466 1.934 -0.411 1.00 0.00 H new ATOM 351 N LYS A 28 -11.696 0.343 0.271 1.00 0.00 N ATOM 352 CA LYS A 28 -10.494 0.363 1.096 1.00 0.00 C ATOM 353 C LYS A 28 -9.258 0.645 0.249 1.00 0.00 C ATOM 354 O LYS A 28 -9.176 0.226 -0.905 1.00 0.00 O ATOM 355 CB LYS A 28 -10.331 -0.972 1.827 1.00 0.00 C ATOM 356 CG LYS A 28 -11.476 -1.292 2.772 1.00 0.00 C ATOM 357 CD LYS A 28 -11.229 -2.586 3.529 1.00 0.00 C ATOM 358 CE LYS A 28 -12.348 -2.877 4.517 1.00 0.00 C ATOM 359 NZ LYS A 28 -13.683 -2.881 3.856 1.00 0.00 N ATOM 0 H LYS A 28 -11.891 -0.557 -0.168 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.600 1.162 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.244 -1.771 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.399 -0.956 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.604 -0.474 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.404 -1.372 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.143 -3.411 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.280 -2.522 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.173 -3.844 4.989 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.337 -2.129 5.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.388 -3.294 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.957 -1.906 3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.637 -3.447 2.984 1.00 0.00 H new ATOM 373 N TRP A 29 -8.299 1.357 0.830 1.00 0.00 N ATOM 374 CA TRP A 29 -7.065 1.694 0.128 1.00 0.00 C ATOM 375 C TRP A 29 -5.963 0.692 0.452 1.00 0.00 C ATOM 376 O TRP A 29 -5.357 0.747 1.523 1.00 0.00 O ATOM 377 CB TRP A 29 -6.613 3.107 0.499 1.00 0.00 C ATOM 378 CG TRP A 29 -7.451 4.182 -0.124 1.00 0.00 C ATOM 379 CD1 TRP A 29 -8.520 4.818 0.441 1.00 0.00 C ATOM 380 CD2 TRP A 29 -7.291 4.745 -1.431 1.00 0.00 C ATOM 381 NE1 TRP A 29 -9.033 5.743 -0.437 1.00 0.00 N ATOM 382 CE2 TRP A 29 -8.297 5.717 -1.591 1.00 0.00 C ATOM 383 CE3 TRP A 29 -6.395 4.523 -2.479 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -8.430 6.464 -2.759 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -6.528 5.265 -3.638 1.00 0.00 C ATOM 386 CH2 TRP A 29 -7.539 6.226 -3.770 1.00 0.00 C ATOM 0 H TRP A 29 -8.352 1.712 1.785 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.263 1.653 -0.943 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -6.641 3.217 1.583 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.576 3.241 0.192 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.905 4.623 1.431 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.833 6.350 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.612 3.785 -2.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.209 7.205 -2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.841 5.101 -4.455 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.617 6.790 -4.688 1.00 0.00 H new ATOM 397 N ARG A 30 -5.707 -0.222 -0.478 1.00 0.00 N ATOM 398 CA ARG A 30 -4.678 -1.237 -0.289 1.00 0.00 C ATOM 399 C ARG A 30 -3.294 -0.672 -0.596 1.00 0.00 C ATOM 400 O ARG A 30 -3.157 0.268 -1.380 1.00 0.00 O ATOM 401 CB ARG A 30 -4.956 -2.448 -1.182 1.00 0.00 C ATOM 402 CG ARG A 30 -6.331 -3.059 -0.969 1.00 0.00 C ATOM 403 CD ARG A 30 -6.388 -3.870 0.316 1.00 0.00 C ATOM 404 NE ARG A 30 -6.914 -3.090 1.433 1.00 0.00 N ATOM 405 CZ ARG A 30 -7.435 -3.632 2.527 1.00 0.00 C ATOM 406 NH1 ARG A 30 -7.500 -4.951 2.651 1.00 0.00 N ATOM 407 NH2 ARG A 30 -7.893 -2.856 3.501 1.00 0.00 N ATOM 0 H ARG A 30 -6.198 -0.280 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.700 -1.551 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.858 -2.149 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.197 -3.208 -0.996 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.080 -2.268 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.581 -3.699 -1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.013 -4.750 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.389 -4.228 0.563 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.879 -2.073 1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.149 -5.551 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.901 -5.365 3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.845 -1.841 3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.293 -3.274 4.341 1.00 0.00 H new ATOM 421 N ARG A 31 -2.273 -1.250 0.027 1.00 0.00 N ATOM 422 CA ARG A 31 -0.900 -0.803 -0.179 1.00 0.00 C ATOM 423 C ARG A 31 -0.159 -1.741 -1.127 1.00 0.00 C ATOM 424 O ARG A 31 -0.140 -2.956 -0.927 1.00 0.00 O ATOM 425 CB ARG A 31 -0.162 -0.724 1.159 1.00 0.00 C ATOM 426 CG ARG A 31 0.988 0.269 1.161 1.00 0.00 C ATOM 427 CD ARG A 31 2.041 -0.099 2.196 1.00 0.00 C ATOM 428 NE ARG A 31 2.869 -1.220 1.759 1.00 0.00 N ATOM 429 CZ ARG A 31 3.574 -1.980 2.589 1.00 0.00 C ATOM 430 NH1 ARG A 31 3.551 -1.741 3.893 1.00 0.00 N ATOM 431 NH2 ARG A 31 4.304 -2.981 2.115 1.00 0.00 N ATOM 0 H ARG A 31 -2.370 -2.029 0.679 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.930 0.189 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.871 -0.448 1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.222 -1.712 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.444 0.301 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.606 1.269 1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.675 0.766 2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.552 -0.354 3.136 1.00 0.00 H new ATOM 0 HE ARG A 31 2.908 -1.431 0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.991 -0.972 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.093 -2.326 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.324 -3.167 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.845 -3.564 2.753 1.00 0.00 H new ATOM 445 N LEU A 32 0.450 -1.169 -2.160 1.00 0.00 N ATOM 446 CA LEU A 32 1.193 -1.954 -3.140 1.00 0.00 C ATOM 447 C LEU A 32 2.689 -1.914 -2.848 1.00 0.00 C ATOM 448 O LEU A 32 3.132 -1.248 -1.912 1.00 0.00 O ATOM 449 CB LEU A 32 0.923 -1.430 -4.552 1.00 0.00 C ATOM 450 CG LEU A 32 -0.496 -1.635 -5.084 1.00 0.00 C ATOM 451 CD1 LEU A 32 -0.783 -0.670 -6.224 1.00 0.00 C ATOM 452 CD2 LEU A 32 -0.692 -3.074 -5.539 1.00 0.00 C ATOM 0 H LEU A 32 0.444 -0.165 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 32 0.856 -2.988 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.146 -0.363 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.620 -1.913 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.199 -1.431 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.797 -0.830 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.684 0.355 -5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.074 -0.842 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.707 -3.202 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.020 -3.305 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.529 -3.747 -4.697 1.00 0.00 H new ATOM 464 N CYS A 33 3.463 -2.630 -3.656 1.00 0.00 N ATOM 465 CA CYS A 33 4.911 -2.676 -3.485 1.00 0.00 C ATOM 466 C CYS A 33 5.504 -1.271 -3.494 1.00 0.00 C ATOM 467 O CYS A 33 6.038 -0.805 -2.489 1.00 0.00 O ATOM 468 CB CYS A 33 5.549 -3.519 -4.590 1.00 0.00 C ATOM 469 SG CYS A 33 7.340 -3.712 -4.431 1.00 0.00 S ATOM 0 H CYS A 33 3.112 -3.186 -4.436 1.00 0.00 H new ATOM 0 HA CYS A 33 5.124 -3.135 -2.519 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.087 -4.506 -4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.328 -3.062 -5.554 1.00 0.00 H new ATOM 0 HG CYS A 33 7.919 -3.303 -5.521 1.00 0.00 H new ATOM 475 N GLY A 34 5.408 -0.601 -4.639 1.00 0.00 N ATOM 476 CA GLY A 34 5.941 0.744 -4.758 1.00 0.00 C ATOM 477 C GLY A 34 6.203 1.138 -6.198 1.00 0.00 C ATOM 478 O GLY A 34 6.231 2.323 -6.528 1.00 0.00 O ATOM 0 H GLY A 34 4.971 -0.965 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.240 1.450 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.869 0.815 -4.190 1.00 0.00 H new ATOM 482 N ASN A 35 6.396 0.142 -7.056 1.00 0.00 N ATOM 483 CA ASN A 35 6.660 0.392 -8.469 1.00 0.00 C ATOM 484 C ASN A 35 5.397 0.193 -9.301 1.00 0.00 C ATOM 485 O ASN A 35 5.456 -0.297 -10.430 1.00 0.00 O ATOM 486 CB ASN A 35 7.768 -0.535 -8.974 1.00 0.00 C ATOM 487 CG ASN A 35 7.569 -1.970 -8.528 1.00 0.00 C ATOM 488 OD1 ASN A 35 8.252 -2.451 -7.624 1.00 0.00 O ATOM 489 ND2 ASN A 35 6.631 -2.662 -9.164 1.00 0.00 N ATOM 0 H ASN A 35 6.375 -0.845 -6.799 1.00 0.00 H new ATOM 0 HA ASN A 35 6.985 1.427 -8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.801 -0.497 -10.063 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.732 -0.175 -8.613 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.453 -3.633 -8.909 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.089 -2.222 -9.908 1.00 0.00 H new ATOM 496 N ILE A 36 4.257 0.576 -8.737 1.00 0.00 N ATOM 497 CA ILE A 36 2.980 0.441 -9.427 1.00 0.00 C ATOM 498 C ILE A 36 2.239 1.773 -9.479 1.00 0.00 C ATOM 499 O ILE A 36 2.222 2.523 -8.503 1.00 0.00 O ATOM 500 CB ILE A 36 2.080 -0.608 -8.748 1.00 0.00 C ATOM 501 CG1 ILE A 36 2.829 -1.935 -8.600 1.00 0.00 C ATOM 502 CG2 ILE A 36 0.799 -0.803 -9.544 1.00 0.00 C ATOM 503 CD1 ILE A 36 2.063 -2.976 -7.813 1.00 0.00 C ATOM 0 H ILE A 36 4.191 0.982 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 36 3.204 0.113 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 36 1.815 -0.248 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.050 -2.331 -9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.785 -1.751 -8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.174 -1.547 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.260 0.142 -9.603 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.044 -1.144 -10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.653 -3.890 -7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.864 -2.600 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.119 -3.189 -8.314 1.00 0.00 H new ATOM 515 N ASP A 37 1.627 2.059 -10.622 1.00 0.00 N ATOM 516 CA ASP A 37 0.882 3.300 -10.801 1.00 0.00 C ATOM 517 C ASP A 37 -0.568 3.013 -11.180 1.00 0.00 C ATOM 518 O ASP A 37 -0.883 1.999 -11.803 1.00 0.00 O ATOM 519 CB ASP A 37 1.541 4.166 -11.875 1.00 0.00 C ATOM 520 CG ASP A 37 1.928 5.537 -11.356 1.00 0.00 C ATOM 521 OD1 ASP A 37 3.034 5.666 -10.791 1.00 0.00 O ATOM 522 OD2 ASP A 37 1.125 6.480 -11.514 1.00 0.00 O ATOM 0 H ASP A 37 1.632 1.448 -11.439 1.00 0.00 H new ATOM 0 HA ASP A 37 0.892 3.840 -9.854 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.429 3.659 -12.252 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.858 4.279 -12.717 1.00 0.00 H new ATOM 527 N PRO A 38 -1.472 3.925 -10.795 1.00 0.00 N ATOM 528 CA PRO A 38 -2.904 3.792 -11.083 1.00 0.00 C ATOM 529 C PRO A 38 -3.215 3.966 -12.565 1.00 0.00 C ATOM 530 O PRO A 38 -4.194 3.419 -13.072 1.00 0.00 O ATOM 531 CB PRO A 38 -3.536 4.922 -10.267 1.00 0.00 C ATOM 532 CG PRO A 38 -2.453 5.934 -10.118 1.00 0.00 C ATOM 533 CD PRO A 38 -1.168 5.158 -10.048 1.00 0.00 C ATOM 0 HA PRO A 38 -3.281 2.802 -10.828 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.403 5.342 -10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.880 4.565 -9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.446 6.625 -10.961 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.598 6.531 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.342 5.708 -10.499 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.884 4.944 -9.018 1.00 0.00 H new ATOM 541 N SER A 39 -2.375 4.731 -13.256 1.00 0.00 N ATOM 542 CA SER A 39 -2.563 4.979 -14.680 1.00 0.00 C ATOM 543 C SER A 39 -2.469 3.680 -15.476 1.00 0.00 C ATOM 544 O SER A 39 -3.216 3.469 -16.431 1.00 0.00 O ATOM 545 CB SER A 39 -1.520 5.977 -15.188 1.00 0.00 C ATOM 546 OG SER A 39 -1.945 7.312 -14.972 1.00 0.00 O ATOM 0 H SER A 39 -1.558 5.189 -12.852 1.00 0.00 H new ATOM 0 HA SER A 39 -3.558 5.400 -14.821 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.571 5.807 -14.679 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.345 5.815 -16.252 1.00 0.00 H new ATOM 0 HG SER A 39 -1.261 7.931 -15.303 1.00 0.00 H new ATOM 552 N VAL A 40 -1.546 2.813 -15.073 1.00 0.00 N ATOM 553 CA VAL A 40 -1.353 1.534 -15.746 1.00 0.00 C ATOM 554 C VAL A 40 -2.289 0.471 -15.183 1.00 0.00 C ATOM 555 O VAL A 40 -2.611 -0.509 -15.857 1.00 0.00 O ATOM 556 CB VAL A 40 0.101 1.044 -15.616 1.00 0.00 C ATOM 557 CG1 VAL A 40 1.045 1.964 -16.377 1.00 0.00 C ATOM 558 CG2 VAL A 40 0.501 0.950 -14.151 1.00 0.00 C ATOM 0 H VAL A 40 -0.920 2.973 -14.284 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.581 1.693 -16.800 1.00 0.00 H new ATOM 0 HB VAL A 40 0.172 0.048 -16.054 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.068 1.602 -16.274 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.769 1.977 -17.431 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.975 2.973 -15.972 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.531 0.602 -14.077 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.415 1.932 -13.687 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.157 0.248 -13.639 1.00 0.00 H new ATOM 568 N LEU A 41 -2.722 0.669 -13.943 1.00 0.00 N ATOM 569 CA LEU A 41 -3.623 -0.273 -13.287 1.00 0.00 C ATOM 570 C LEU A 41 -5.008 -0.235 -13.924 1.00 0.00 C ATOM 571 O LEU A 41 -5.426 0.769 -14.501 1.00 0.00 O ATOM 572 CB LEU A 41 -3.726 0.045 -11.794 1.00 0.00 C ATOM 573 CG LEU A 41 -2.526 -0.359 -10.938 1.00 0.00 C ATOM 574 CD1 LEU A 41 -2.472 0.475 -9.667 1.00 0.00 C ATOM 575 CD2 LEU A 41 -2.584 -1.842 -10.602 1.00 0.00 C ATOM 0 H LEU A 41 -2.464 1.473 -13.371 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.214 -1.276 -13.411 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.883 1.118 -11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.613 -0.450 -11.398 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.617 -0.172 -11.510 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.611 0.173 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.381 1.530 -9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.385 0.321 -9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.722 -2.111 -9.992 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.499 -2.054 -10.050 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.573 -2.424 -11.523 1.00 0.00 H new ATOM 587 N PRO A 42 -5.740 -1.354 -13.816 1.00 0.00 N ATOM 588 CA PRO A 42 -7.091 -1.473 -14.373 1.00 0.00 C ATOM 589 C PRO A 42 -8.106 -0.620 -13.619 1.00 0.00 C ATOM 590 O PRO A 42 -7.823 -0.118 -12.532 1.00 0.00 O ATOM 591 CB PRO A 42 -7.413 -2.960 -14.206 1.00 0.00 C ATOM 592 CG PRO A 42 -6.565 -3.406 -13.065 1.00 0.00 C ATOM 593 CD PRO A 42 -5.305 -2.589 -13.142 1.00 0.00 C ATOM 0 HA PRO A 42 -7.139 -1.126 -15.405 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.471 -3.115 -13.997 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.182 -3.519 -15.113 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.075 -3.248 -12.115 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.344 -4.471 -13.136 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.898 -2.384 -12.152 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.527 -3.102 -13.707 1.00 0.00 H new ATOM 601 N ASP A 43 -9.288 -0.462 -14.204 1.00 0.00 N ATOM 602 CA ASP A 43 -10.346 0.330 -13.586 1.00 0.00 C ATOM 603 C ASP A 43 -11.160 -0.516 -12.612 1.00 0.00 C ATOM 604 O ASP A 43 -11.734 0.001 -11.655 1.00 0.00 O ATOM 605 CB ASP A 43 -11.263 0.919 -14.659 1.00 0.00 C ATOM 606 CG ASP A 43 -12.421 1.697 -14.066 1.00 0.00 C ATOM 607 OD1 ASP A 43 -12.252 2.907 -13.805 1.00 0.00 O ATOM 608 OD2 ASP A 43 -13.498 1.098 -13.865 1.00 0.00 O ATOM 0 H ASP A 43 -9.538 -0.871 -15.104 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.880 1.144 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.683 1.575 -15.309 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.651 0.114 -15.283 1.00 0.00 H new ATOM 613 N ASN A 44 -11.204 -1.821 -12.864 1.00 0.00 N ATOM 614 CA ASN A 44 -11.949 -2.739 -12.010 1.00 0.00 C ATOM 615 C ASN A 44 -11.022 -3.430 -11.015 1.00 0.00 C ATOM 616 O ASN A 44 -11.232 -4.589 -10.658 1.00 0.00 O ATOM 617 CB ASN A 44 -12.674 -3.784 -12.860 1.00 0.00 C ATOM 618 CG ASN A 44 -11.728 -4.551 -13.764 1.00 0.00 C ATOM 619 OD1 ASN A 44 -10.513 -4.360 -13.714 1.00 0.00 O ATOM 620 ND2 ASN A 44 -12.283 -5.425 -14.596 1.00 0.00 N ATOM 0 H ASN A 44 -10.733 -2.266 -13.652 1.00 0.00 H new ATOM 0 HA ASN A 44 -12.685 -2.160 -11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -13.194 -4.484 -12.206 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.433 -3.291 -13.467 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.697 -5.971 -15.228 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.295 -5.551 -14.603 1.00 0.00 H new ATOM 627 N TRP A 45 -9.998 -2.711 -10.572 1.00 0.00 N ATOM 628 CA TRP A 45 -9.038 -3.254 -9.617 1.00 0.00 C ATOM 629 C TRP A 45 -9.694 -3.492 -8.262 1.00 0.00 C ATOM 630 O TRP A 45 -10.576 -2.740 -7.848 1.00 0.00 O ATOM 631 CB TRP A 45 -7.848 -2.306 -9.462 1.00 0.00 C ATOM 632 CG TRP A 45 -6.734 -2.880 -8.641 1.00 0.00 C ATOM 633 CD1 TRP A 45 -5.594 -3.472 -9.106 1.00 0.00 C ATOM 634 CD2 TRP A 45 -6.654 -2.919 -7.212 1.00 0.00 C ATOM 635 NE1 TRP A 45 -4.811 -3.876 -8.052 1.00 0.00 N ATOM 636 CE2 TRP A 45 -5.438 -3.548 -6.880 1.00 0.00 C ATOM 637 CE3 TRP A 45 -7.490 -2.482 -6.181 1.00 0.00 C ATOM 638 CZ2 TRP A 45 -5.041 -3.750 -5.561 1.00 0.00 C ATOM 639 CZ3 TRP A 45 -7.095 -2.684 -4.873 1.00 0.00 C ATOM 640 CH2 TRP A 45 -5.880 -3.313 -4.572 1.00 0.00 C ATOM 0 H TRP A 45 -9.810 -1.750 -10.858 1.00 0.00 H new ATOM 0 HA TRP A 45 -8.683 -4.210 -10.001 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -7.466 -2.049 -10.450 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -8.189 -1.379 -9.001 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -5.345 -3.603 -10.149 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.908 -4.345 -8.130 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.428 -1.995 -6.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.105 -4.234 -5.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.734 -2.351 -4.068 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.600 -3.456 -3.539 1.00 0.00 H new ATOM 651 N SER A 46 -9.258 -4.543 -7.575 1.00 0.00 N ATOM 652 CA SER A 46 -9.806 -4.882 -6.266 1.00 0.00 C ATOM 653 C SER A 46 -8.704 -5.345 -5.319 1.00 0.00 C ATOM 654 O SER A 46 -7.538 -5.441 -5.703 1.00 0.00 O ATOM 655 CB SER A 46 -10.869 -5.974 -6.403 1.00 0.00 C ATOM 656 OG SER A 46 -10.465 -6.966 -7.331 1.00 0.00 O ATOM 0 H SER A 46 -8.527 -5.175 -7.903 1.00 0.00 H new ATOM 0 HA SER A 46 -10.266 -3.986 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.050 -6.433 -5.431 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.811 -5.531 -6.727 1.00 0.00 H new ATOM 0 HG SER A 46 -11.161 -7.653 -7.399 1.00 0.00 H new ATOM 662 N CYS A 47 -9.081 -5.630 -4.077 1.00 0.00 N ATOM 663 CA CYS A 47 -8.126 -6.082 -3.072 1.00 0.00 C ATOM 664 C CYS A 47 -7.447 -7.376 -3.510 1.00 0.00 C ATOM 665 O CYS A 47 -6.297 -7.636 -3.157 1.00 0.00 O ATOM 666 CB CYS A 47 -8.829 -6.291 -1.729 1.00 0.00 C ATOM 667 SG CYS A 47 -9.790 -4.851 -1.160 1.00 0.00 S ATOM 0 H CYS A 47 -10.042 -5.556 -3.742 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.363 -5.312 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.495 -7.150 -1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.082 -6.537 -0.974 1.00 0.00 H new ATOM 672 N ASP A 48 -8.167 -8.184 -4.281 1.00 0.00 N ATOM 673 CA ASP A 48 -7.634 -9.450 -4.769 1.00 0.00 C ATOM 674 C ASP A 48 -6.462 -9.218 -5.716 1.00 0.00 C ATOM 675 O ASP A 48 -5.678 -10.129 -5.983 1.00 0.00 O ATOM 676 CB ASP A 48 -8.729 -10.249 -5.478 1.00 0.00 C ATOM 677 CG ASP A 48 -8.184 -11.469 -6.193 1.00 0.00 C ATOM 678 OD1 ASP A 48 -7.759 -12.420 -5.504 1.00 0.00 O ATOM 679 OD2 ASP A 48 -8.181 -11.474 -7.442 1.00 0.00 O ATOM 0 H ASP A 48 -9.121 -7.984 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.276 -10.020 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.476 -10.562 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.236 -9.606 -6.197 1.00 0.00 H new ATOM 684 N GLN A 49 -6.349 -7.994 -6.221 1.00 0.00 N ATOM 685 CA GLN A 49 -5.273 -7.643 -7.140 1.00 0.00 C ATOM 686 C GLN A 49 -4.144 -6.926 -6.408 1.00 0.00 C ATOM 687 O GLN A 49 -3.401 -6.146 -7.004 1.00 0.00 O ATOM 688 CB GLN A 49 -5.806 -6.759 -8.270 1.00 0.00 C ATOM 689 CG GLN A 49 -6.679 -7.506 -9.266 1.00 0.00 C ATOM 690 CD GLN A 49 -7.336 -6.582 -10.272 1.00 0.00 C ATOM 691 OE1 GLN A 49 -6.661 -5.832 -10.978 1.00 0.00 O ATOM 692 NE2 GLN A 49 -8.661 -6.632 -10.345 1.00 0.00 N ATOM 0 H GLN A 49 -6.989 -7.229 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.878 -8.565 -7.565 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.381 -5.939 -7.839 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.964 -6.314 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.073 -8.241 -9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.450 -8.057 -8.727 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.181 -7.268 -9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.158 -6.034 -11.005 1.00 0.00 H new ATOM 701 N ASN A 50 -4.020 -7.195 -5.112 1.00 0.00 N ATOM 702 CA ASN A 50 -2.981 -6.575 -4.298 1.00 0.00 C ATOM 703 C ASN A 50 -1.734 -7.452 -4.248 1.00 0.00 C ATOM 704 O ASN A 50 -1.812 -8.672 -4.397 1.00 0.00 O ATOM 705 CB ASN A 50 -3.498 -6.322 -2.881 1.00 0.00 C ATOM 706 CG ASN A 50 -2.830 -5.129 -2.226 1.00 0.00 C ATOM 707 OD1 ASN A 50 -2.721 -4.059 -2.824 1.00 0.00 O ATOM 708 ND2 ASN A 50 -2.378 -5.309 -0.990 1.00 0.00 N ATOM 0 H ASN A 50 -4.626 -7.838 -4.603 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.715 -5.622 -4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.575 -6.159 -2.914 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.329 -7.210 -2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.919 -4.542 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.490 -6.214 -0.533 1.00 0.00 H new ATOM 715 N THR A 51 -0.582 -6.822 -4.036 1.00 0.00 N ATOM 716 CA THR A 51 0.682 -7.543 -3.966 1.00 0.00 C ATOM 717 C THR A 51 1.001 -7.957 -2.534 1.00 0.00 C ATOM 718 O THR A 51 1.765 -8.894 -2.305 1.00 0.00 O ATOM 719 CB THR A 51 1.844 -6.693 -4.514 1.00 0.00 C ATOM 720 OG1 THR A 51 2.011 -5.518 -3.713 1.00 0.00 O ATOM 721 CG2 THR A 51 1.590 -6.296 -5.960 1.00 0.00 C ATOM 0 H THR A 51 -0.499 -5.813 -3.910 1.00 0.00 H new ATOM 0 HA THR A 51 0.572 -8.435 -4.582 1.00 0.00 H new ATOM 0 HB THR A 51 2.754 -7.292 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.912 -5.156 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.424 -5.697 -6.325 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.493 -7.193 -6.572 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.671 -5.714 -6.021 1.00 0.00 H new ATOM 729 N ASP A 52 0.409 -7.254 -1.575 1.00 0.00 N ATOM 730 CA ASP A 52 0.629 -7.550 -0.164 1.00 0.00 C ATOM 731 C ASP A 52 -0.385 -8.571 0.341 1.00 0.00 C ATOM 732 O ASP A 52 -1.567 -8.264 0.498 1.00 0.00 O ATOM 733 CB ASP A 52 0.540 -6.270 0.668 1.00 0.00 C ATOM 734 CG ASP A 52 1.167 -6.425 2.039 1.00 0.00 C ATOM 735 OD1 ASP A 52 1.788 -7.479 2.291 1.00 0.00 O ATOM 736 OD2 ASP A 52 1.037 -5.493 2.861 1.00 0.00 O ATOM 0 H ASP A 52 -0.227 -6.475 -1.749 1.00 0.00 H new ATOM 0 HA ASP A 52 1.628 -7.973 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.036 -5.459 0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.506 -5.985 0.780 1.00 0.00 H new ATOM 741 N VAL A 53 0.085 -9.789 0.594 1.00 0.00 N ATOM 742 CA VAL A 53 -0.781 -10.856 1.081 1.00 0.00 C ATOM 743 C VAL A 53 -1.505 -10.438 2.356 1.00 0.00 C ATOM 744 O VAL A 53 -2.579 -10.952 2.668 1.00 0.00 O ATOM 745 CB VAL A 53 0.018 -12.145 1.356 1.00 0.00 C ATOM 746 CG1 VAL A 53 0.726 -12.614 0.095 1.00 0.00 C ATOM 747 CG2 VAL A 53 1.013 -11.923 2.485 1.00 0.00 C ATOM 0 H VAL A 53 1.060 -10.061 0.470 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.514 -11.051 0.298 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.678 -12.925 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.285 -13.525 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.011 -12.814 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.412 -11.839 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.569 -12.843 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.706 -11.129 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.478 -11.638 3.391 1.00 0.00 H new ATOM 757 N GLN A 54 -0.909 -9.502 3.088 1.00 0.00 N ATOM 758 CA GLN A 54 -1.498 -9.015 4.330 1.00 0.00 C ATOM 759 C GLN A 54 -2.795 -8.260 4.058 1.00 0.00 C ATOM 760 O GLN A 54 -3.649 -8.137 4.936 1.00 0.00 O ATOM 761 CB GLN A 54 -0.510 -8.108 5.066 1.00 0.00 C ATOM 762 CG GLN A 54 0.865 -8.729 5.250 1.00 0.00 C ATOM 763 CD GLN A 54 1.547 -8.270 6.524 1.00 0.00 C ATOM 764 OE1 GLN A 54 1.536 -7.084 6.854 1.00 0.00 O ATOM 765 NE2 GLN A 54 2.144 -9.209 7.248 1.00 0.00 N ATOM 0 H GLN A 54 -0.020 -9.066 2.843 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.726 -9.877 4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.407 -7.174 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.920 -7.857 6.044 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.770 -9.815 5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.492 -8.475 4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.128 -10.180 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.618 -8.959 8.116 1.00 0.00 H new ATOM 774 N TYR A 55 -2.935 -7.756 2.837 1.00 0.00 N ATOM 775 CA TYR A 55 -4.127 -7.010 2.450 1.00 0.00 C ATOM 776 C TYR A 55 -4.483 -7.272 0.990 1.00 0.00 C ATOM 777 O TYR A 55 -4.641 -6.341 0.202 1.00 0.00 O ATOM 778 CB TYR A 55 -3.911 -5.513 2.674 1.00 0.00 C ATOM 779 CG TYR A 55 -3.591 -5.154 4.107 1.00 0.00 C ATOM 780 CD1 TYR A 55 -2.289 -5.230 4.588 1.00 0.00 C ATOM 781 CD2 TYR A 55 -4.589 -4.742 4.981 1.00 0.00 C ATOM 782 CE1 TYR A 55 -1.992 -4.904 5.897 1.00 0.00 C ATOM 783 CE2 TYR A 55 -4.300 -4.413 6.291 1.00 0.00 C ATOM 784 CZ TYR A 55 -3.000 -4.496 6.745 1.00 0.00 C ATOM 785 OH TYR A 55 -2.709 -4.170 8.049 1.00 0.00 O ATOM 0 H TYR A 55 -2.238 -7.850 2.098 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.955 -7.348 3.073 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.098 -5.172 2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.807 -4.975 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.497 -5.549 3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.608 -4.678 4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.975 -4.968 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.088 -4.092 6.957 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.531 -3.902 8.510 1.00 0.00 H new ATOM 795 N ASN A 56 -4.608 -8.547 0.637 1.00 0.00 N ATOM 796 CA ASN A 56 -4.946 -8.934 -0.728 1.00 0.00 C ATOM 797 C ASN A 56 -6.351 -9.523 -0.795 1.00 0.00 C ATOM 798 O ASN A 56 -6.677 -10.274 -1.714 1.00 0.00 O ATOM 799 CB ASN A 56 -3.930 -9.946 -1.260 1.00 0.00 C ATOM 800 CG ASN A 56 -4.258 -11.367 -0.844 1.00 0.00 C ATOM 801 OD1 ASN A 56 -4.852 -12.128 -1.608 1.00 0.00 O ATOM 802 ND2 ASN A 56 -3.872 -11.731 0.374 1.00 0.00 N ATOM 0 H ASN A 56 -4.480 -9.330 1.278 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.917 -8.039 -1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.898 -9.887 -2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.936 -9.684 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.066 -12.675 0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.382 -11.067 0.973 1.00 0.00 H new ATOM 809 N ARG A 57 -7.179 -9.177 0.186 1.00 0.00 N ATOM 810 CA ARG A 57 -8.549 -9.672 0.239 1.00 0.00 C ATOM 811 C ARG A 57 -9.529 -8.534 0.508 1.00 0.00 C ATOM 812 O ARG A 57 -9.159 -7.501 1.066 1.00 0.00 O ATOM 813 CB ARG A 57 -8.685 -10.743 1.323 1.00 0.00 C ATOM 814 CG ARG A 57 -7.736 -11.916 1.143 1.00 0.00 C ATOM 815 CD ARG A 57 -8.489 -13.197 0.817 1.00 0.00 C ATOM 816 NE ARG A 57 -7.600 -14.354 0.757 1.00 0.00 N ATOM 817 CZ ARG A 57 -7.921 -15.497 0.161 1.00 0.00 C ATOM 818 NH1 ARG A 57 -9.103 -15.635 -0.423 1.00 0.00 N ATOM 819 NH2 ARG A 57 -7.058 -16.505 0.148 1.00 0.00 N ATOM 0 H ARG A 57 -6.925 -8.556 0.954 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.787 -10.112 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.505 -10.287 2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.710 -11.114 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.029 -11.694 0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.153 -12.057 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.257 -13.368 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.001 -13.083 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.683 -14.280 1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.769 -14.862 -0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.347 -16.514 -0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.147 -16.403 0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.305 -17.382 -0.310 1.00 0.00 H new ATOM 833 N CYS A 58 -10.780 -8.730 0.106 1.00 0.00 N ATOM 834 CA CYS A 58 -11.814 -7.720 0.301 1.00 0.00 C ATOM 835 C CYS A 58 -12.405 -7.812 1.705 1.00 0.00 C ATOM 836 O CYS A 58 -13.289 -7.036 2.069 1.00 0.00 O ATOM 837 CB CYS A 58 -12.920 -7.884 -0.742 1.00 0.00 C ATOM 838 SG CYS A 58 -12.467 -7.297 -2.406 1.00 0.00 S ATOM 0 H CYS A 58 -11.103 -9.580 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.356 -6.738 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.194 -8.937 -0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -13.805 -7.343 -0.406 1.00 0.00 H new ATOM 843 N ASP A 59 -11.912 -8.765 2.488 1.00 0.00 N ATOM 844 CA ASP A 59 -12.390 -8.958 3.852 1.00 0.00 C ATOM 845 C ASP A 59 -11.430 -8.330 4.858 1.00 0.00 C ATOM 846 O ASP A 59 -11.824 -7.983 5.972 1.00 0.00 O ATOM 847 CB ASP A 59 -12.557 -10.449 4.150 1.00 0.00 C ATOM 848 CG ASP A 59 -13.655 -10.718 5.160 1.00 0.00 C ATOM 849 OD1 ASP A 59 -14.774 -10.196 4.973 1.00 0.00 O ATOM 850 OD2 ASP A 59 -13.396 -11.452 6.136 1.00 0.00 O ATOM 0 H ASP A 59 -11.181 -9.416 2.201 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.358 -8.466 3.945 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.781 -10.979 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.615 -10.849 4.526 1.00 0.00 H new ATOM 855 N ILE A 60 -10.171 -8.187 4.458 1.00 0.00 N ATOM 856 CA ILE A 60 -9.157 -7.601 5.324 1.00 0.00 C ATOM 857 C ILE A 60 -9.427 -6.119 5.563 1.00 0.00 C ATOM 858 O ILE A 60 -9.688 -5.353 4.635 1.00 0.00 O ATOM 859 CB ILE A 60 -7.745 -7.765 4.730 1.00 0.00 C ATOM 860 CG1 ILE A 60 -7.417 -9.247 4.542 1.00 0.00 C ATOM 861 CG2 ILE A 60 -6.713 -7.097 5.625 1.00 0.00 C ATOM 862 CD1 ILE A 60 -6.317 -9.499 3.533 1.00 0.00 C ATOM 0 H ILE A 60 -9.829 -8.469 3.539 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.207 -8.135 6.273 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.718 -7.280 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.122 -9.670 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.318 -9.773 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.721 -7.222 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.940 -6.034 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.738 -7.555 6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.137 -10.571 3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.617 -9.106 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.403 -9.002 3.859 1.00 0.00 H new ATOM 874 N PRO A 61 -9.361 -5.703 6.836 1.00 0.00 N ATOM 875 CA PRO A 61 -9.593 -4.309 7.226 1.00 0.00 C ATOM 876 C PRO A 61 -8.473 -3.383 6.763 1.00 0.00 C ATOM 877 O PRO A 61 -7.395 -3.840 6.385 1.00 0.00 O ATOM 878 CB PRO A 61 -9.637 -4.372 8.755 1.00 0.00 C ATOM 879 CG PRO A 61 -8.835 -5.577 9.108 1.00 0.00 C ATOM 880 CD PRO A 61 -9.054 -6.561 7.993 1.00 0.00 C ATOM 0 HA PRO A 61 -10.500 -3.905 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.215 -3.471 9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.661 -4.458 9.118 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.779 -5.328 9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.155 -5.992 10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.169 -7.172 7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.874 -7.244 8.215 1.00 0.00 H new ATOM 888 N GLU A 62 -8.737 -2.081 6.796 1.00 0.00 N ATOM 889 CA GLU A 62 -7.750 -1.092 6.378 1.00 0.00 C ATOM 890 C GLU A 62 -6.697 -0.883 7.462 1.00 0.00 C ATOM 891 O GLU A 62 -6.940 -1.153 8.638 1.00 0.00 O ATOM 892 CB GLU A 62 -8.434 0.238 6.054 1.00 0.00 C ATOM 893 CG GLU A 62 -9.325 0.181 4.824 1.00 0.00 C ATOM 894 CD GLU A 62 -10.229 1.392 4.701 1.00 0.00 C ATOM 895 OE1 GLU A 62 -11.176 1.508 5.506 1.00 0.00 O ATOM 896 OE2 GLU A 62 -9.989 2.222 3.800 1.00 0.00 O ATOM 0 H GLU A 62 -9.625 -1.687 7.107 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.255 -1.466 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.032 0.548 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.671 1.002 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.703 0.105 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.936 -0.721 4.864 1.00 0.00 H new ATOM 903 N GLU A 63 -5.526 -0.402 7.056 1.00 0.00 N ATOM 904 CA GLU A 63 -4.435 -0.159 7.993 1.00 0.00 C ATOM 905 C GLU A 63 -4.854 0.837 9.070 1.00 0.00 C ATOM 906 O GLU A 63 -5.100 2.010 8.787 1.00 0.00 O ATOM 907 CB GLU A 63 -3.203 0.365 7.250 1.00 0.00 C ATOM 908 CG GLU A 63 -1.889 0.007 7.924 1.00 0.00 C ATOM 909 CD GLU A 63 -0.692 0.639 7.240 1.00 0.00 C ATOM 910 OE1 GLU A 63 -0.850 1.733 6.659 1.00 0.00 O ATOM 911 OE2 GLU A 63 0.403 0.040 7.288 1.00 0.00 O ATOM 0 H GLU A 63 -5.309 -0.173 6.086 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.186 -1.105 8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.203 -0.035 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.274 1.449 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.919 0.328 8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.770 -1.077 7.928 1.00 0.00 H new ATOM 918 N THR A 64 -4.935 0.360 10.309 1.00 0.00 N ATOM 919 CA THR A 64 -5.327 1.206 11.429 1.00 0.00 C ATOM 920 C THR A 64 -4.471 2.467 11.491 1.00 0.00 C ATOM 921 O THR A 64 -3.309 2.460 11.086 1.00 0.00 O ATOM 922 CB THR A 64 -5.211 0.454 12.768 1.00 0.00 C ATOM 923 OG1 THR A 64 -5.297 -0.958 12.546 1.00 0.00 O ATOM 924 CG2 THR A 64 -6.307 0.889 13.730 1.00 0.00 C ATOM 0 H THR A 64 -4.734 -0.608 10.561 1.00 0.00 H new ATOM 0 HA THR A 64 -6.368 1.484 11.266 1.00 0.00 H new ATOM 0 HB THR A 64 -4.244 0.693 13.211 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.221 -1.429 13.402 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.205 0.344 14.669 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.221 1.959 13.920 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.282 0.676 13.291 1.00 0.00 H new ATOM 932 N TRP A 65 -5.053 3.546 12.002 1.00 0.00 N ATOM 933 CA TRP A 65 -4.343 4.814 12.117 1.00 0.00 C ATOM 934 C TRP A 65 -3.217 4.716 13.142 1.00 0.00 C ATOM 935 O TRP A 65 -3.461 4.494 14.328 1.00 0.00 O ATOM 936 CB TRP A 65 -5.311 5.931 12.511 1.00 0.00 C ATOM 937 CG TRP A 65 -5.999 6.561 11.338 1.00 0.00 C ATOM 938 CD1 TRP A 65 -6.804 5.938 10.428 1.00 0.00 C ATOM 939 CD2 TRP A 65 -5.940 7.937 10.947 1.00 0.00 C ATOM 940 NE1 TRP A 65 -7.249 6.844 9.495 1.00 0.00 N ATOM 941 CE2 TRP A 65 -6.734 8.078 9.793 1.00 0.00 C ATOM 942 CE3 TRP A 65 -5.295 9.065 11.462 1.00 0.00 C ATOM 943 CZ2 TRP A 65 -6.898 9.300 9.146 1.00 0.00 C ATOM 944 CZ3 TRP A 65 -5.458 10.277 10.819 1.00 0.00 C ATOM 945 CH2 TRP A 65 -6.255 10.387 9.672 1.00 0.00 C ATOM 0 H TRP A 65 -6.014 3.568 12.343 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.907 5.047 11.146 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.062 5.528 13.191 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -4.765 6.699 13.059 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.054 4.887 10.440 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.863 6.632 8.709 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.680 8.991 12.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -7.511 9.387 8.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.963 11.155 11.207 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.364 11.349 9.194 1.00 0.00 H new ATOM 956 N THR A 66 -1.983 4.884 12.677 1.00 0.00 N ATOM 957 CA THR A 66 -0.820 4.814 13.552 1.00 0.00 C ATOM 958 C THR A 66 -0.218 6.196 13.779 1.00 0.00 C ATOM 959 O THR A 66 -0.267 7.056 12.901 1.00 0.00 O ATOM 960 CB THR A 66 0.263 3.883 12.974 1.00 0.00 C ATOM 961 OG1 THR A 66 1.414 3.883 13.826 1.00 0.00 O ATOM 962 CG2 THR A 66 0.661 4.321 11.573 1.00 0.00 C ATOM 0 H THR A 66 -1.764 5.070 11.698 1.00 0.00 H new ATOM 0 HA THR A 66 -1.165 4.411 14.504 1.00 0.00 H new ATOM 0 HB THR A 66 -0.147 2.874 12.919 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.097 3.288 13.453 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.427 3.649 11.185 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.212 4.291 10.921 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.054 5.337 11.607 1.00 0.00 H new ATOM 970 N GLY A 67 0.350 6.402 14.963 1.00 0.00 N ATOM 971 CA GLY A 67 0.954 7.682 15.283 1.00 0.00 C ATOM 972 C GLY A 67 1.197 7.853 16.770 1.00 0.00 C ATOM 973 O GLY A 67 0.258 7.826 17.567 1.00 0.00 O ATOM 0 H GLY A 67 0.403 5.705 15.706 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.900 7.777 14.750 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.307 8.484 14.929 1.00 0.00 H new ATOM 977 N LEU A 68 2.459 8.028 17.146 1.00 0.00 N ATOM 978 CA LEU A 68 2.823 8.202 18.548 1.00 0.00 C ATOM 979 C LEU A 68 2.424 9.588 19.045 1.00 0.00 C ATOM 980 O LEU A 68 2.511 10.570 18.310 1.00 0.00 O ATOM 981 CB LEU A 68 4.326 7.994 18.734 1.00 0.00 C ATOM 982 CG LEU A 68 4.788 7.672 20.156 1.00 0.00 C ATOM 983 CD1 LEU A 68 4.707 6.176 20.418 1.00 0.00 C ATOM 984 CD2 LEU A 68 6.204 8.179 20.385 1.00 0.00 C ATOM 0 H LEU A 68 3.248 8.053 16.500 1.00 0.00 H new ATOM 0 HA LEU A 68 2.284 7.457 19.134 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.644 7.184 18.078 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.841 8.895 18.401 1.00 0.00 H new ATOM 0 HG LEU A 68 4.124 8.179 20.856 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.040 5.966 21.435 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.677 5.841 20.297 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.346 5.648 19.711 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.516 7.941 21.402 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.881 7.701 19.677 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.232 9.259 20.241 1.00 0.00 H new ATOM 996 N GLU A 69 1.988 9.658 20.299 1.00 0.00 N ATOM 997 CA GLU A 69 1.577 10.924 20.895 1.00 0.00 C ATOM 998 C GLU A 69 2.792 11.771 21.263 1.00 0.00 C ATOM 999 O GLU A 69 2.644 12.971 21.490 1.00 0.00 O ATOM 1000 CB GLU A 69 0.720 10.675 22.137 1.00 0.00 C ATOM 1001 CG GLU A 69 1.416 9.838 23.198 1.00 0.00 C ATOM 1002 CD GLU A 69 0.767 9.970 24.563 1.00 0.00 C ATOM 1003 OE1 GLU A 69 -0.424 10.343 24.619 1.00 0.00 O ATOM 1004 OE2 GLU A 69 1.449 9.700 25.573 1.00 0.00 O ATOM 0 H GLU A 69 1.910 8.854 20.921 1.00 0.00 H new ATOM 0 HA GLU A 69 0.986 11.468 20.158 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.436 11.634 22.571 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.201 10.175 21.838 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.406 8.791 22.894 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.461 10.140 23.266 1.00 0.00 H new TER 1011 GLU A 69 HETATM 1012 ZN ZN A 201 -11.978 -5.056 -1.953 1.00 0.00 ZN