USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 615 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 73 LYS NZ :NH3+ 141:sc= 0.308 (180deg=0.0228) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0.637 USER MOD Set 2.1: A 30 TYR OH : rot -162:sc= 1.19 USER MOD Set 2.2: A 57 MET CE :methyl 156:sc= -0.904 (180deg=-3.53) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.128 USER MOD Set 3.2: A 19 GLN : amide:sc= 0.131 X(o=0.26,f=0.015) USER MOD Set 4.1: A 7 GLN : amide:sc= 0.0818 X(o=0.1,f=-0.15) USER MOD Set 4.2: A 8 TYR OH : rot 160:sc= 0.0115 USER MOD Set 4.3: A 82 HIS : no HD1:sc= 0.00988 X(o=0.1,f=0.082) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 129:sc= 1.31 USER MOD Single : A 21 HIS : no HE2:sc= 0.829 K(o=0.83,f=-4.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 177:sc= 0 (180deg=-0.0119) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0255 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.251 K(o=-0.25,f=-4.3!) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0325 (180deg=-0.245) USER MOD Single : A 39 GLN : amide:sc=-0.000478 X(o=-0.00048,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.538 K(o=0.54,f=0) USER MOD Single : A 52 SER OG : rot -37:sc= 0.36 USER MOD Single : A 53 HIS : no HE2:sc= 0.241 K(o=0.24,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot -24:sc= 0.347 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 61 TYR OH : rot -115:sc= 0.444 USER MOD Single : A 65 THR OG1 : rot -166:sc= -0.101 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.699) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -5.563 -13.576 -6.677 1.00 0.00 N ATOM 36 CA ILE A 5 -5.318 -12.422 -5.815 1.00 0.00 C ATOM 37 C ILE A 5 -6.579 -11.654 -5.408 1.00 0.00 C ATOM 38 O ILE A 5 -6.547 -10.913 -4.429 1.00 0.00 O ATOM 39 CB ILE A 5 -4.292 -11.465 -6.471 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.868 -10.699 -7.685 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.999 -12.207 -6.849 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.920 -9.643 -8.261 1.00 0.00 C ATOM 0 HA ILE A 5 -4.911 -12.830 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.051 -10.715 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.117 -11.415 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.798 -10.214 -7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.299 -11.508 -7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.550 -12.635 -5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.230 -13.004 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.396 -9.150 -9.109 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.690 -8.904 -7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.998 -10.123 -8.591 1.00 0.00 H new ATOM 54 N ASP A 6 -7.674 -11.812 -6.156 1.00 0.00 N ATOM 55 CA ASP A 6 -8.944 -11.148 -5.840 1.00 0.00 C ATOM 56 C ASP A 6 -9.453 -11.531 -4.452 1.00 0.00 C ATOM 57 O ASP A 6 -10.083 -10.712 -3.792 1.00 0.00 O ATOM 58 CB ASP A 6 -10.027 -11.404 -6.902 1.00 0.00 C ATOM 59 CG ASP A 6 -10.601 -10.073 -7.394 1.00 0.00 C ATOM 60 OD1 ASP A 6 -9.826 -9.354 -8.071 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.788 -9.757 -7.152 1.00 0.00 O ATOM 0 H ASP A 6 -7.707 -12.398 -6.990 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.733 -10.079 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.603 -11.959 -7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.822 -12.020 -6.482 1.00 0.00 H new ATOM 66 N GLN A 7 -9.098 -12.726 -3.967 1.00 0.00 N ATOM 67 CA GLN A 7 -9.465 -13.199 -2.639 1.00 0.00 C ATOM 68 C GLN A 7 -8.900 -12.316 -1.520 1.00 0.00 C ATOM 69 O GLN A 7 -9.448 -12.328 -0.419 1.00 0.00 O ATOM 70 CB GLN A 7 -9.021 -14.661 -2.477 1.00 0.00 C ATOM 71 CG GLN A 7 -7.499 -14.850 -2.320 1.00 0.00 C ATOM 72 CD GLN A 7 -7.092 -16.302 -2.551 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.836 -17.224 -2.225 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.945 -16.548 -3.163 1.00 0.00 N ATOM 0 H GLN A 7 -8.541 -13.396 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.549 -13.138 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.519 -15.085 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.358 -15.229 -3.344 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.976 -14.207 -3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.193 -14.539 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.334 -15.776 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.672 -17.509 -3.368 1.00 0.00 H new ATOM 83 N TYR A 8 -7.824 -11.567 -1.781 1.00 0.00 N ATOM 84 CA TYR A 8 -7.234 -10.636 -0.827 1.00 0.00 C ATOM 85 C TYR A 8 -7.623 -9.195 -1.159 1.00 0.00 C ATOM 86 O TYR A 8 -7.255 -8.296 -0.407 1.00 0.00 O ATOM 87 CB TYR A 8 -5.699 -10.754 -0.848 1.00 0.00 C ATOM 88 CG TYR A 8 -5.137 -12.160 -0.916 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.180 -12.995 0.211 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.561 -12.627 -2.111 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.637 -14.289 0.145 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.007 -13.916 -2.184 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.040 -14.755 -1.047 1.00 0.00 C ATOM 94 OH TYR A 8 -3.518 -16.008 -1.137 1.00 0.00 O ATOM 0 H TYR A 8 -7.335 -11.594 -2.676 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.612 -10.890 0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.324 -10.193 -1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.306 -10.271 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.630 -12.643 1.128 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.544 -11.988 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.676 -14.932 1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.559 -14.264 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.447 -16.266 -2.080 1.00 0.00 H new ATOM 104 N ALA A 9 -8.267 -8.947 -2.307 1.00 0.00 N ATOM 105 CA ALA A 9 -8.528 -7.611 -2.815 1.00 0.00 C ATOM 106 C ALA A 9 -9.706 -7.031 -2.051 1.00 0.00 C ATOM 107 O ALA A 9 -10.867 -7.236 -2.418 1.00 0.00 O ATOM 108 CB ALA A 9 -8.796 -7.650 -4.323 1.00 0.00 C ATOM 0 H ALA A 9 -8.623 -9.687 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.656 -6.974 -2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.989 -6.640 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.926 -8.059 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.664 -8.279 -4.522 1.00 0.00 H new ATOM 114 N LEU A 10 -9.408 -6.317 -0.972 1.00 0.00 N ATOM 115 CA LEU A 10 -10.427 -5.690 -0.160 1.00 0.00 C ATOM 116 C LEU A 10 -10.899 -4.447 -0.876 1.00 0.00 C ATOM 117 O LEU A 10 -10.237 -3.930 -1.783 1.00 0.00 O ATOM 118 CB LEU A 10 -9.894 -5.346 1.235 1.00 0.00 C ATOM 119 CG LEU A 10 -9.453 -6.582 2.031 1.00 0.00 C ATOM 120 CD1 LEU A 10 -9.213 -6.177 3.477 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.488 -7.705 2.047 1.00 0.00 C ATOM 0 H LEU A 10 -8.456 -6.161 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.259 -6.380 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.050 -4.664 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.667 -4.818 1.793 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.555 -6.956 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.899 -7.048 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.434 -5.416 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.134 -5.776 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.106 -8.544 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.412 -7.342 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.687 -8.031 1.026 1.00 0.00 H new ATOM 133 N LYS A 11 -12.054 -3.965 -0.450 1.00 0.00 N ATOM 134 CA LYS A 11 -12.674 -2.796 -1.032 1.00 0.00 C ATOM 135 C LYS A 11 -12.669 -1.662 -0.007 1.00 0.00 C ATOM 136 O LYS A 11 -12.682 -0.490 -0.381 1.00 0.00 O ATOM 137 CB LYS A 11 -14.092 -3.186 -1.461 1.00 0.00 C ATOM 138 CG LYS A 11 -14.132 -4.314 -2.507 1.00 0.00 C ATOM 139 CD LYS A 11 -15.572 -4.617 -2.956 1.00 0.00 C ATOM 140 CE LYS A 11 -15.746 -6.133 -3.088 1.00 0.00 C ATOM 141 NZ LYS A 11 -17.142 -6.568 -3.295 1.00 0.00 N ATOM 0 H LYS A 11 -12.588 -4.379 0.314 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.130 -2.441 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.656 -3.497 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.594 -2.308 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.532 -4.031 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.683 -5.215 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.283 -4.218 -2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.779 -4.130 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.140 -6.485 -3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.358 -6.611 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.175 -7.604 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.724 -6.264 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.512 -6.142 -4.169 1.00 0.00 H new ATOM 155 N GLU A 12 -12.587 -2.011 1.275 1.00 0.00 N ATOM 156 CA GLU A 12 -12.437 -1.099 2.388 1.00 0.00 C ATOM 157 C GLU A 12 -11.860 -1.864 3.588 1.00 0.00 C ATOM 158 O GLU A 12 -11.928 -3.100 3.617 1.00 0.00 O ATOM 159 CB GLU A 12 -13.794 -0.449 2.696 1.00 0.00 C ATOM 160 CG GLU A 12 -14.930 -1.453 2.961 1.00 0.00 C ATOM 161 CD GLU A 12 -16.080 -1.430 1.939 1.00 0.00 C ATOM 162 OE1 GLU A 12 -15.847 -1.457 0.708 1.00 0.00 O ATOM 163 OE2 GLU A 12 -17.255 -1.533 2.381 1.00 0.00 O ATOM 0 H GLU A 12 -12.626 -2.986 1.572 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.741 -0.296 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.685 0.197 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.077 0.189 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.507 -2.457 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.342 -1.257 3.951 1.00 0.00 H new ATOM 170 N PHE A 13 -11.294 -1.135 4.556 1.00 0.00 N ATOM 171 CA PHE A 13 -10.700 -1.636 5.795 1.00 0.00 C ATOM 172 C PHE A 13 -10.697 -0.507 6.834 1.00 0.00 C ATOM 173 O PHE A 13 -11.168 0.597 6.540 1.00 0.00 O ATOM 174 CB PHE A 13 -9.267 -2.163 5.563 1.00 0.00 C ATOM 175 CG PHE A 13 -8.207 -1.130 5.193 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.206 -0.539 3.915 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.175 -0.807 6.100 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.215 0.392 3.560 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.169 0.105 5.729 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.200 0.721 4.470 1.00 0.00 C ATOM 0 H PHE A 13 -11.236 -0.119 4.489 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.295 -2.474 6.159 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.942 -2.674 6.469 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.304 -2.911 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.973 -0.803 3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.157 -1.260 7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.235 0.855 2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.369 0.331 6.418 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.445 1.446 4.202 1.00 0.00 H new ATOM 190 N THR A 14 -10.136 -0.768 8.020 1.00 0.00 N ATOM 191 CA THR A 14 -9.938 0.239 9.054 1.00 0.00 C ATOM 192 C THR A 14 -8.532 0.072 9.638 1.00 0.00 C ATOM 193 O THR A 14 -8.238 -0.951 10.266 1.00 0.00 O ATOM 194 CB THR A 14 -11.013 0.132 10.151 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.299 -0.088 9.603 1.00 0.00 O ATOM 196 CG2 THR A 14 -11.085 1.356 11.065 1.00 0.00 C ATOM 0 H THR A 14 -9.805 -1.695 8.286 1.00 0.00 H new ATOM 0 HA THR A 14 -10.034 1.232 8.615 1.00 0.00 H new ATOM 0 HB THR A 14 -10.705 -0.723 10.752 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.956 -0.152 10.327 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.865 1.207 11.812 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.126 1.494 11.564 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.316 2.240 10.471 1.00 0.00 H new ATOM 204 N ALA A 15 -7.643 1.049 9.463 1.00 0.00 N ATOM 205 CA ALA A 15 -6.332 1.087 10.110 1.00 0.00 C ATOM 206 C ALA A 15 -6.214 2.421 10.836 1.00 0.00 C ATOM 207 O ALA A 15 -6.857 3.380 10.441 1.00 0.00 O ATOM 208 CB ALA A 15 -5.218 0.877 9.088 1.00 0.00 C ATOM 0 H ALA A 15 -7.817 1.851 8.857 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.231 0.277 10.833 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.252 0.909 9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.344 -0.093 8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.261 1.664 8.335 1.00 0.00 H new ATOM 214 N ASP A 16 -5.426 2.496 11.912 1.00 0.00 N ATOM 215 CA ASP A 16 -5.339 3.681 12.787 1.00 0.00 C ATOM 216 C ASP A 16 -6.683 4.216 13.279 1.00 0.00 C ATOM 217 O ASP A 16 -6.847 5.379 13.630 1.00 0.00 O ATOM 218 CB ASP A 16 -4.397 4.757 12.247 1.00 0.00 C ATOM 219 CG ASP A 16 -4.842 5.663 11.088 1.00 0.00 C ATOM 220 OD1 ASP A 16 -5.562 6.667 11.297 1.00 0.00 O ATOM 221 OD2 ASP A 16 -4.279 5.466 9.985 1.00 0.00 O ATOM 0 H ASP A 16 -4.821 1.730 12.208 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.868 3.314 13.699 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.135 5.406 13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.481 4.257 11.933 1.00 0.00 H new ATOM 226 N PHE A 17 -7.633 3.295 13.358 1.00 0.00 N ATOM 227 CA PHE A 17 -9.050 3.485 13.667 1.00 0.00 C ATOM 228 C PHE A 17 -9.770 4.375 12.636 1.00 0.00 C ATOM 229 O PHE A 17 -10.908 4.784 12.861 1.00 0.00 O ATOM 230 CB PHE A 17 -9.225 4.003 15.109 1.00 0.00 C ATOM 231 CG PHE A 17 -8.284 3.392 16.135 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.510 2.095 16.629 1.00 0.00 C ATOM 233 CD2 PHE A 17 -7.153 4.110 16.568 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.606 1.516 17.536 1.00 0.00 C ATOM 235 CE2 PHE A 17 -6.250 3.535 17.476 1.00 0.00 C ATOM 236 CZ PHE A 17 -6.473 2.236 17.960 1.00 0.00 C ATOM 0 H PHE A 17 -7.418 2.312 13.194 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.533 2.510 13.599 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.085 5.084 15.109 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.252 3.815 15.424 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.381 1.542 16.310 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.979 5.110 16.199 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.781 0.517 17.908 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.384 4.092 17.802 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.777 1.790 18.656 1.00 0.00 H new ATOM 246 N THR A 18 -9.148 4.601 11.485 1.00 0.00 N ATOM 247 CA THR A 18 -9.646 5.341 10.343 1.00 0.00 C ATOM 248 C THR A 18 -10.174 4.299 9.368 1.00 0.00 C ATOM 249 O THR A 18 -9.450 3.372 9.002 1.00 0.00 O ATOM 250 CB THR A 18 -8.507 6.153 9.696 1.00 0.00 C ATOM 251 OG1 THR A 18 -8.038 7.191 10.534 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.958 6.819 8.399 1.00 0.00 C ATOM 0 H THR A 18 -8.208 4.241 11.318 1.00 0.00 H new ATOM 0 HA THR A 18 -10.424 6.048 10.631 1.00 0.00 H new ATOM 0 HB THR A 18 -7.715 5.427 9.513 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.063 7.135 10.610 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.128 7.382 7.972 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.281 6.056 7.691 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.787 7.495 8.607 1.00 0.00 H new ATOM 260 N GLN A 19 -11.437 4.421 8.974 1.00 0.00 N ATOM 261 CA GLN A 19 -12.006 3.658 7.872 1.00 0.00 C ATOM 262 C GLN A 19 -11.425 4.215 6.565 1.00 0.00 C ATOM 263 O GLN A 19 -11.236 5.429 6.436 1.00 0.00 O ATOM 264 CB GLN A 19 -13.535 3.799 7.928 1.00 0.00 C ATOM 265 CG GLN A 19 -14.286 2.973 6.875 1.00 0.00 C ATOM 266 CD GLN A 19 -15.233 1.952 7.492 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.455 2.098 7.412 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.700 0.902 8.093 1.00 0.00 N ATOM 0 H GLN A 19 -12.100 5.059 9.416 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.761 2.598 7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.879 3.502 8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.796 4.850 7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.853 3.644 6.230 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.564 2.457 6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.686 0.805 8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.303 0.189 8.504 1.00 0.00 H new ATOM 277 N PHE A 20 -11.172 3.357 5.580 1.00 0.00 N ATOM 278 CA PHE A 20 -10.661 3.734 4.271 1.00 0.00 C ATOM 279 C PHE A 20 -11.314 2.878 3.209 1.00 0.00 C ATOM 280 O PHE A 20 -11.439 1.665 3.400 1.00 0.00 O ATOM 281 CB PHE A 20 -9.157 3.451 4.207 1.00 0.00 C ATOM 282 CG PHE A 20 -8.246 4.168 5.182 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.876 5.505 4.963 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.701 3.468 6.273 1.00 0.00 C ATOM 285 CE1 PHE A 20 -6.939 6.134 5.798 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.771 4.105 7.117 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.381 5.430 6.875 1.00 0.00 C ATOM 0 H PHE A 20 -11.322 2.353 5.676 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.869 4.791 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.015 2.379 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.817 3.689 3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.317 6.055 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.994 2.446 6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.649 7.157 5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.355 3.569 7.957 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.654 5.907 7.516 1.00 0.00 H new ATOM 297 N HIS A 21 -11.600 3.457 2.042 1.00 0.00 N ATOM 298 CA HIS A 21 -12.181 2.730 0.915 1.00 0.00 C ATOM 299 C HIS A 21 -11.325 2.977 -0.332 1.00 0.00 C ATOM 300 O HIS A 21 -10.395 3.793 -0.290 1.00 0.00 O ATOM 301 CB HIS A 21 -13.652 3.119 0.715 1.00 0.00 C ATOM 302 CG HIS A 21 -14.436 3.417 1.974 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.373 4.594 2.680 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.354 2.619 2.595 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.214 4.514 3.714 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.830 3.318 3.709 1.00 0.00 N ATOM 0 H HIS A 21 -11.434 4.445 1.852 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.178 1.659 1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.691 3.997 0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.152 2.310 0.182 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.783 5.394 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.657 1.630 2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.376 5.293 4.445 1.00 0.00 H new ATOM 314 N ILE A 22 -11.574 2.245 -1.423 1.00 0.00 N ATOM 315 CA ILE A 22 -10.899 2.504 -2.694 1.00 0.00 C ATOM 316 C ILE A 22 -11.276 3.923 -3.123 1.00 0.00 C ATOM 317 O ILE A 22 -12.442 4.186 -3.424 1.00 0.00 O ATOM 318 CB ILE A 22 -11.244 1.446 -3.772 1.00 0.00 C ATOM 319 CG1 ILE A 22 -10.877 0.001 -3.362 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.564 1.781 -5.112 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.433 -0.208 -2.887 1.00 0.00 C ATOM 0 H ILE A 22 -12.237 1.470 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.819 2.425 -2.570 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.328 1.487 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.551 -0.314 -2.566 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.059 -0.656 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.823 1.023 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.904 2.757 -5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.483 1.801 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.284 -1.255 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.744 0.068 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.244 0.415 -2.013 1.00 0.00 H new ATOM 333 N GLY A 23 -10.297 4.824 -3.146 1.00 0.00 N ATOM 334 CA GLY A 23 -10.441 6.192 -3.614 1.00 0.00 C ATOM 335 C GLY A 23 -10.495 7.237 -2.501 1.00 0.00 C ATOM 336 O GLY A 23 -10.559 8.419 -2.836 1.00 0.00 O ATOM 0 H GLY A 23 -9.352 4.611 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.607 6.426 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.351 6.266 -4.209 1.00 0.00 H new ATOM 340 N ASP A 24 -10.453 6.854 -1.217 1.00 0.00 N ATOM 341 CA ASP A 24 -10.156 7.802 -0.128 1.00 0.00 C ATOM 342 C ASP A 24 -8.657 8.107 -0.139 1.00 0.00 C ATOM 343 O ASP A 24 -7.952 7.655 -1.039 1.00 0.00 O ATOM 344 CB ASP A 24 -10.583 7.261 1.241 1.00 0.00 C ATOM 345 CG ASP A 24 -12.092 7.261 1.380 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.703 8.334 1.603 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.669 6.169 1.275 1.00 0.00 O ATOM 0 H ASP A 24 -10.620 5.897 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.728 8.714 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.203 6.248 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.142 7.870 2.030 1.00 0.00 H new ATOM 352 N THR A 25 -8.117 8.815 0.854 1.00 0.00 N ATOM 353 CA THR A 25 -6.731 9.216 0.892 1.00 0.00 C ATOM 354 C THR A 25 -6.132 8.792 2.233 1.00 0.00 C ATOM 355 O THR A 25 -6.764 8.922 3.288 1.00 0.00 O ATOM 356 CB THR A 25 -6.644 10.738 0.775 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.791 11.430 1.239 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.312 11.209 -0.641 1.00 0.00 C ATOM 0 H THR A 25 -8.651 9.126 1.665 1.00 0.00 H new ATOM 0 HA THR A 25 -6.188 8.749 0.070 1.00 0.00 H new ATOM 0 HB THR A 25 -5.818 10.992 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.656 12.395 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.264 12.298 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.349 10.798 -0.945 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.086 10.868 -1.329 1.00 0.00 H new ATOM 366 N VAL A 26 -4.870 8.374 2.224 1.00 0.00 N ATOM 367 CA VAL A 26 -4.132 8.145 3.459 1.00 0.00 C ATOM 368 C VAL A 26 -3.769 9.484 4.119 1.00 0.00 C ATOM 369 O VAL A 26 -3.795 10.526 3.453 1.00 0.00 O ATOM 370 CB VAL A 26 -2.901 7.259 3.184 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.352 5.951 2.535 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.790 7.877 2.326 1.00 0.00 C ATOM 0 H VAL A 26 -4.338 8.187 1.374 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.760 7.605 4.168 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.451 7.111 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.483 5.323 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.034 5.428 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.861 6.167 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.981 7.157 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.191 8.141 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.408 8.773 2.816 1.00 0.00 H new ATOM 382 N PRO A 27 -3.404 9.489 5.409 1.00 0.00 N ATOM 383 CA PRO A 27 -2.632 10.566 6.024 1.00 0.00 C ATOM 384 C PRO A 27 -1.177 10.531 5.549 1.00 0.00 C ATOM 385 O PRO A 27 -0.653 9.485 5.157 1.00 0.00 O ATOM 386 CB PRO A 27 -2.710 10.275 7.528 1.00 0.00 C ATOM 387 CG PRO A 27 -2.798 8.755 7.579 1.00 0.00 C ATOM 388 CD PRO A 27 -3.683 8.443 6.383 1.00 0.00 C ATOM 0 HA PRO A 27 -3.017 11.552 5.765 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.832 10.646 8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.580 10.745 7.985 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.817 8.287 7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.237 8.404 8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.459 7.457 5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.736 8.440 6.664 1.00 0.00 H new ATOM 396 N ALA A 28 -0.469 11.651 5.729 1.00 0.00 N ATOM 397 CA ALA A 28 0.951 11.737 5.415 1.00 0.00 C ATOM 398 C ALA A 28 1.819 10.810 6.281 1.00 0.00 C ATOM 399 O ALA A 28 2.952 10.515 5.902 1.00 0.00 O ATOM 400 CB ALA A 28 1.434 13.187 5.492 1.00 0.00 C ATOM 0 H ALA A 28 -0.867 12.516 6.095 1.00 0.00 H new ATOM 0 HA ALA A 28 1.068 11.384 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.497 13.230 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.878 13.794 4.778 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.272 13.572 6.499 1.00 0.00 H new ATOM 406 N MET A 29 1.250 10.266 7.364 1.00 0.00 N ATOM 407 CA MET A 29 1.843 9.258 8.233 1.00 0.00 C ATOM 408 C MET A 29 2.309 8.025 7.448 1.00 0.00 C ATOM 409 O MET A 29 3.154 7.289 7.953 1.00 0.00 O ATOM 410 CB MET A 29 0.830 8.820 9.305 1.00 0.00 C ATOM 411 CG MET A 29 0.192 9.952 10.133 1.00 0.00 C ATOM 412 SD MET A 29 0.830 10.180 11.820 1.00 0.00 S ATOM 413 CE MET A 29 2.490 10.834 11.519 1.00 0.00 C ATOM 0 H MET A 29 0.314 10.536 7.668 1.00 0.00 H new ATOM 0 HA MET A 29 2.715 9.712 8.704 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.033 8.260 8.816 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.329 8.133 9.989 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.322 10.888 9.589 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.880 9.766 10.196 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.968 11.066 12.471 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.083 10.090 10.987 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.420 11.740 10.917 1.00 0.00 H new ATOM 423 N TYR A 30 1.794 7.802 6.232 1.00 0.00 N ATOM 424 CA TYR A 30 2.162 6.674 5.383 1.00 0.00 C ATOM 425 C TYR A 30 2.693 7.105 4.012 1.00 0.00 C ATOM 426 O TYR A 30 3.195 6.263 3.278 1.00 0.00 O ATOM 427 CB TYR A 30 0.949 5.754 5.241 1.00 0.00 C ATOM 428 CG TYR A 30 0.237 5.446 6.549 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.930 4.917 7.654 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.118 5.790 6.684 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.278 4.780 8.895 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.779 5.651 7.911 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.078 5.157 9.026 1.00 0.00 C ATOM 434 OH TYR A 30 -1.721 5.039 10.217 1.00 0.00 O ATOM 0 H TYR A 30 1.098 8.415 5.808 1.00 0.00 H new ATOM 0 HA TYR A 30 2.984 6.141 5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.238 6.214 4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.270 4.817 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.962 4.616 7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.659 6.167 5.829 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.814 4.387 9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.821 5.922 8.001 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.689 5.073 10.071 1.00 0.00 H new ATOM 444 N LEU A 31 2.605 8.393 3.658 1.00 0.00 N ATOM 445 CA LEU A 31 3.246 8.959 2.469 1.00 0.00 C ATOM 446 C LEU A 31 4.739 9.187 2.695 1.00 0.00 C ATOM 447 O LEU A 31 5.482 9.342 1.725 1.00 0.00 O ATOM 448 CB LEU A 31 2.549 10.279 2.090 1.00 0.00 C ATOM 449 CG LEU A 31 1.193 9.999 1.406 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.114 11.032 1.731 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.414 9.947 -0.106 1.00 0.00 C ATOM 0 H LEU A 31 2.079 9.079 4.198 1.00 0.00 H new ATOM 0 HA LEU A 31 3.146 8.247 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.394 10.885 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.188 10.855 1.421 1.00 0.00 H new ATOM 0 HG LEU A 31 0.827 9.047 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.809 10.769 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.063 11.047 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.444 12.018 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.466 9.750 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.813 10.902 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.121 9.152 -0.343 1.00 0.00 H new ATOM 463 N THR A 32 5.176 9.217 3.953 1.00 0.00 N ATOM 464 CA THR A 32 6.582 9.180 4.318 1.00 0.00 C ATOM 465 C THR A 32 7.165 7.850 3.783 1.00 0.00 C ATOM 466 O THR A 32 6.468 6.834 3.813 1.00 0.00 O ATOM 467 CB THR A 32 6.641 9.349 5.852 1.00 0.00 C ATOM 468 OG1 THR A 32 7.965 9.456 6.308 1.00 0.00 O ATOM 469 CG2 THR A 32 5.962 8.217 6.627 1.00 0.00 C ATOM 0 H THR A 32 4.549 9.269 4.756 1.00 0.00 H new ATOM 0 HA THR A 32 7.188 9.975 3.883 1.00 0.00 H new ATOM 0 HB THR A 32 6.091 10.270 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.968 9.564 7.282 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.045 8.407 7.697 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.909 8.166 6.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.447 7.271 6.388 1.00 0.00 H new ATOM 477 N PRO A 33 8.428 7.812 3.321 1.00 0.00 N ATOM 478 CA PRO A 33 9.018 6.661 2.624 1.00 0.00 C ATOM 479 C PRO A 33 9.306 5.433 3.507 1.00 0.00 C ATOM 480 O PRO A 33 9.747 4.400 2.990 1.00 0.00 O ATOM 481 CB PRO A 33 10.290 7.217 1.981 1.00 0.00 C ATOM 482 CG PRO A 33 10.686 8.395 2.857 1.00 0.00 C ATOM 483 CD PRO A 33 9.331 8.953 3.265 1.00 0.00 C ATOM 0 HA PRO A 33 8.308 6.259 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.078 6.465 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.109 7.532 0.953 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.275 8.083 3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.282 9.127 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.390 9.452 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.981 9.693 2.545 1.00 0.00 H new ATOM 491 N GLU A 34 9.086 5.543 4.819 1.00 0.00 N ATOM 492 CA GLU A 34 9.271 4.499 5.828 1.00 0.00 C ATOM 493 C GLU A 34 8.594 3.169 5.509 1.00 0.00 C ATOM 494 O GLU A 34 9.080 2.117 5.933 1.00 0.00 O ATOM 495 CB GLU A 34 8.685 4.989 7.159 1.00 0.00 C ATOM 496 CG GLU A 34 9.639 5.830 7.998 1.00 0.00 C ATOM 497 CD GLU A 34 10.837 5.006 8.469 1.00 0.00 C ATOM 498 OE1 GLU A 34 10.662 4.057 9.273 1.00 0.00 O ATOM 499 OE2 GLU A 34 11.954 5.327 8.005 1.00 0.00 O ATOM 0 H GLU A 34 8.754 6.416 5.229 1.00 0.00 H new ATOM 0 HA GLU A 34 10.345 4.317 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.789 5.575 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.373 4.124 7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.988 6.681 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.109 6.232 8.862 1.00 0.00 H new ATOM 506 N TYR A 35 7.474 3.213 4.798 1.00 0.00 N ATOM 507 CA TYR A 35 6.565 2.088 4.635 1.00 0.00 C ATOM 508 C TYR A 35 6.527 1.621 3.178 1.00 0.00 C ATOM 509 O TYR A 35 5.769 0.709 2.864 1.00 0.00 O ATOM 510 CB TYR A 35 5.183 2.479 5.195 1.00 0.00 C ATOM 511 CG TYR A 35 5.259 3.033 6.613 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.468 2.169 7.707 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.216 4.424 6.829 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.669 2.694 8.999 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.382 4.952 8.120 1.00 0.00 C ATOM 516 CZ TYR A 35 5.646 4.091 9.205 1.00 0.00 C ATOM 517 OH TYR A 35 5.944 4.622 10.421 1.00 0.00 O ATOM 0 H TYR A 35 7.166 4.053 4.307 1.00 0.00 H new ATOM 0 HA TYR A 35 6.919 1.228 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.728 3.224 4.542 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.531 1.606 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.474 1.100 7.554 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.054 5.091 5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.841 2.028 9.832 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.307 6.017 8.282 1.00 0.00 H new ATOM 0 HH TYR A 35 5.878 5.599 10.376 1.00 0.00 H new ATOM 527 N ASN A 36 7.329 2.219 2.290 1.00 0.00 N ATOM 528 CA ASN A 36 7.344 1.989 0.861 1.00 0.00 C ATOM 529 C ASN A 36 7.815 0.575 0.544 1.00 0.00 C ATOM 530 O ASN A 36 8.895 0.155 0.979 1.00 0.00 O ATOM 531 CB ASN A 36 8.301 3.008 0.236 1.00 0.00 C ATOM 532 CG ASN A 36 8.281 3.024 -1.284 1.00 0.00 C ATOM 533 OD1 ASN A 36 8.185 2.003 -1.966 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.362 4.205 -1.857 1.00 0.00 N ATOM 0 H ASN A 36 8.019 2.913 2.576 1.00 0.00 H new ATOM 0 HA ASN A 36 6.338 2.102 0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.047 4.002 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.315 2.793 0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.346 4.281 -2.874 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.441 5.045 -1.284 1.00 0.00 H new ATOM 541 N ILE A 37 7.053 -0.142 -0.276 1.00 0.00 N ATOM 542 CA ILE A 37 7.427 -1.445 -0.788 1.00 0.00 C ATOM 543 C ILE A 37 7.797 -1.292 -2.263 1.00 0.00 C ATOM 544 O ILE A 37 6.978 -1.453 -3.169 1.00 0.00 O ATOM 545 CB ILE A 37 6.347 -2.506 -0.499 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.948 -2.534 1.000 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.910 -3.883 -0.924 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.675 -3.333 1.204 1.00 0.00 C ATOM 0 H ILE A 37 6.142 0.177 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 37 8.306 -1.826 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 37 5.446 -2.261 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.755 -2.971 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.806 -1.516 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.166 -4.656 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.148 -3.866 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.813 -4.099 -0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.415 -3.339 2.262 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.865 -2.879 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.829 -4.357 0.863 1.00 0.00 H new ATOM 560 N LYS A 38 9.084 -1.044 -2.517 1.00 0.00 N ATOM 561 CA LYS A 38 9.674 -1.215 -3.849 1.00 0.00 C ATOM 562 C LYS A 38 9.770 -2.690 -4.227 1.00 0.00 C ATOM 563 O LYS A 38 9.847 -3.039 -5.402 1.00 0.00 O ATOM 564 CB LYS A 38 11.081 -0.603 -3.916 1.00 0.00 C ATOM 565 CG LYS A 38 11.112 0.895 -3.562 1.00 0.00 C ATOM 566 CD LYS A 38 12.138 1.677 -4.405 1.00 0.00 C ATOM 567 CE LYS A 38 11.500 2.789 -5.248 1.00 0.00 C ATOM 568 NZ LYS A 38 10.423 2.321 -6.140 1.00 0.00 N ATOM 0 H LYS A 38 9.744 -0.721 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 38 9.017 -0.701 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.738 -1.144 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.482 -0.740 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.121 1.322 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.351 1.011 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.886 2.114 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.662 0.984 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.100 3.552 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.275 3.265 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.286 3.008 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.682 1.398 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.540 2.226 -5.598 1.00 0.00 H new ATOM 582 N GLN A 39 9.785 -3.578 -3.235 1.00 0.00 N ATOM 583 CA GLN A 39 10.150 -4.980 -3.380 1.00 0.00 C ATOM 584 C GLN A 39 8.951 -5.843 -3.828 1.00 0.00 C ATOM 585 O GLN A 39 8.872 -7.024 -3.477 1.00 0.00 O ATOM 586 CB GLN A 39 10.796 -5.415 -2.051 1.00 0.00 C ATOM 587 CG GLN A 39 12.133 -4.674 -1.811 1.00 0.00 C ATOM 588 CD GLN A 39 12.662 -4.803 -0.386 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.087 -3.825 0.229 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.698 -5.999 0.160 1.00 0.00 N ATOM 0 H GLN A 39 9.535 -3.330 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 39 10.875 -5.125 -4.181 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.112 -5.212 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.970 -6.491 -2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.881 -5.061 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.999 -3.618 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.344 -6.805 -0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.080 -6.120 1.098 1.00 0.00 H new ATOM 599 N TRP A 40 8.022 -5.259 -4.597 1.00 0.00 N ATOM 600 CA TRP A 40 6.710 -5.812 -4.913 1.00 0.00 C ATOM 601 C TRP A 40 6.712 -6.951 -5.946 1.00 0.00 C ATOM 602 O TRP A 40 5.830 -7.796 -5.867 1.00 0.00 O ATOM 603 CB TRP A 40 5.782 -4.672 -5.372 1.00 0.00 C ATOM 604 CG TRP A 40 6.238 -3.857 -6.549 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.839 -2.645 -6.524 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.124 -4.208 -7.956 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.155 -2.254 -7.815 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.771 -3.205 -8.736 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.556 -5.295 -8.648 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.914 -3.321 -10.129 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.733 -5.439 -10.032 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.433 -4.475 -10.769 1.00 0.00 C ATOM 0 H TRP A 40 8.177 -4.349 -5.032 1.00 0.00 H new ATOM 0 HA TRP A 40 6.346 -6.274 -3.995 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.810 -5.102 -5.613 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.632 -3.997 -4.530 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.042 -2.070 -5.633 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.613 -1.375 -8.054 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.976 -6.028 -8.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.387 -2.535 -10.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.325 -6.303 -10.535 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.602 -4.619 -11.826 1.00 0.00 H new ATOM 623 N GLN A 41 7.642 -7.006 -6.904 1.00 0.00 N ATOM 624 CA GLN A 41 7.563 -7.939 -8.038 1.00 0.00 C ATOM 625 C GLN A 41 7.732 -9.396 -7.613 1.00 0.00 C ATOM 626 O GLN A 41 7.035 -10.264 -8.122 1.00 0.00 O ATOM 627 CB GLN A 41 8.621 -7.554 -9.070 1.00 0.00 C ATOM 628 CG GLN A 41 8.531 -8.296 -10.417 1.00 0.00 C ATOM 629 CD GLN A 41 9.931 -8.729 -10.855 1.00 0.00 C ATOM 630 OE1 GLN A 41 10.720 -7.928 -11.354 1.00 0.00 O ATOM 631 NE2 GLN A 41 10.322 -9.964 -10.614 1.00 0.00 N ATOM 0 H GLN A 41 8.469 -6.409 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 41 6.566 -7.860 -8.473 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.547 -6.483 -9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.606 -7.735 -8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.882 -9.167 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.086 -7.648 -11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.673 -10.633 -10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.274 -10.251 -10.841 1.00 0.00 H new ATOM 640 N GLN A 42 8.620 -9.660 -6.652 1.00 0.00 N ATOM 641 CA GLN A 42 8.800 -10.982 -6.043 1.00 0.00 C ATOM 642 C GLN A 42 7.531 -11.473 -5.324 1.00 0.00 C ATOM 643 O GLN A 42 7.463 -12.620 -4.880 1.00 0.00 O ATOM 644 CB GLN A 42 9.956 -10.885 -5.035 1.00 0.00 C ATOM 645 CG GLN A 42 11.339 -10.859 -5.696 1.00 0.00 C ATOM 646 CD GLN A 42 11.944 -12.261 -5.747 1.00 0.00 C ATOM 647 OE1 GLN A 42 11.554 -13.100 -6.552 1.00 0.00 O ATOM 648 NE2 GLN A 42 12.881 -12.575 -4.869 1.00 0.00 N ATOM 0 H GLN A 42 9.245 -8.951 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 42 9.018 -11.702 -6.832 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.831 -9.983 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.904 -11.732 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.257 -10.457 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.000 -10.193 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.206 -11.878 -4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.279 -13.514 -4.862 1.00 0.00 H new ATOM 657 N ARG A 43 6.544 -10.600 -5.135 1.00 0.00 N ATOM 658 CA ARG A 43 5.277 -10.867 -4.474 1.00 0.00 C ATOM 659 C ARG A 43 4.249 -11.052 -5.586 1.00 0.00 C ATOM 660 O ARG A 43 4.394 -10.487 -6.668 1.00 0.00 O ATOM 661 CB ARG A 43 4.898 -9.679 -3.555 1.00 0.00 C ATOM 662 CG ARG A 43 6.084 -8.959 -2.875 1.00 0.00 C ATOM 663 CD ARG A 43 6.741 -9.793 -1.770 1.00 0.00 C ATOM 664 NE ARG A 43 8.216 -9.736 -1.825 1.00 0.00 N ATOM 665 CZ ARG A 43 9.038 -10.743 -1.489 1.00 0.00 C ATOM 666 NH1 ARG A 43 8.557 -11.887 -1.024 1.00 0.00 N ATOM 667 NH2 ARG A 43 10.353 -10.624 -1.631 1.00 0.00 N ATOM 0 H ARG A 43 6.615 -9.635 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 43 5.327 -11.754 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.342 -8.949 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.224 -10.043 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.832 -8.712 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.735 -8.017 -2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.402 -9.435 -0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.416 -10.830 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 43 8.642 -8.865 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.550 -12.011 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.194 -12.643 -0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.750 -9.760 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.966 -11.397 -1.372 1.00 0.00 H new ATOM 681 N ASN A 44 3.143 -11.734 -5.299 1.00 0.00 N ATOM 682 CA ASN A 44 2.057 -11.923 -6.269 1.00 0.00 C ATOM 683 C ASN A 44 1.285 -10.617 -6.540 1.00 0.00 C ATOM 684 O ASN A 44 0.280 -10.619 -7.251 1.00 0.00 O ATOM 685 CB ASN A 44 1.097 -13.022 -5.786 1.00 0.00 C ATOM 686 CG ASN A 44 1.821 -14.333 -5.513 1.00 0.00 C ATOM 687 OD1 ASN A 44 2.149 -15.081 -6.426 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.104 -14.617 -4.250 1.00 0.00 N ATOM 0 H ASN A 44 2.971 -12.171 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 44 2.512 -12.231 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.594 -12.690 -4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.324 -13.184 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.606 -15.475 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.820 -13.978 -3.508 1.00 0.00 H new ATOM 695 N LEU A 45 1.695 -9.498 -5.934 1.00 0.00 N ATOM 696 CA LEU A 45 1.036 -8.209 -6.075 1.00 0.00 C ATOM 697 C LEU A 45 1.339 -7.603 -7.448 1.00 0.00 C ATOM 698 O LEU A 45 2.446 -7.799 -7.962 1.00 0.00 O ATOM 699 CB LEU A 45 1.505 -7.258 -4.964 1.00 0.00 C ATOM 700 CG LEU A 45 0.799 -7.589 -3.637 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.569 -7.107 -2.411 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.583 -6.937 -3.610 1.00 0.00 C ATOM 0 H LEU A 45 2.510 -9.469 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.041 -8.354 -5.989 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.585 -7.340 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.295 -6.227 -5.247 1.00 0.00 H new ATOM 0 HG LEU A 45 0.732 -8.676 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.018 -7.371 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.551 -7.580 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.689 -6.025 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.079 -7.174 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.477 -5.856 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.180 -7.315 -4.440 1.00 0.00 H new ATOM 714 N PRO A 46 0.398 -6.834 -8.017 1.00 0.00 N ATOM 715 CA PRO A 46 0.590 -6.192 -9.307 1.00 0.00 C ATOM 716 C PRO A 46 1.571 -5.018 -9.218 1.00 0.00 C ATOM 717 O PRO A 46 1.863 -4.485 -8.138 1.00 0.00 O ATOM 718 CB PRO A 46 -0.805 -5.732 -9.744 1.00 0.00 C ATOM 719 CG PRO A 46 -1.561 -5.559 -8.438 1.00 0.00 C ATOM 720 CD PRO A 46 -0.954 -6.610 -7.521 1.00 0.00 C ATOM 0 HA PRO A 46 1.031 -6.877 -10.031 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.760 -4.799 -10.306 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.285 -6.469 -10.388 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.435 -4.555 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.631 -5.716 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.939 -6.266 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.536 -7.531 -7.542 1.00 0.00 H new ATOM 728 N ALA A 47 2.037 -4.574 -10.387 1.00 0.00 N ATOM 729 CA ALA A 47 2.859 -3.378 -10.518 1.00 0.00 C ATOM 730 C ALA A 47 2.060 -2.143 -10.065 1.00 0.00 C ATOM 731 O ALA A 47 0.831 -2.131 -10.215 1.00 0.00 O ATOM 732 CB ALA A 47 3.321 -3.228 -11.972 1.00 0.00 C ATOM 0 H ALA A 47 1.851 -5.041 -11.274 1.00 0.00 H new ATOM 0 HA ALA A 47 3.740 -3.468 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.936 -2.333 -12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.905 -4.102 -12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.451 -3.142 -12.623 1.00 0.00 H new ATOM 738 N PRO A 48 2.721 -1.106 -9.523 1.00 0.00 N ATOM 739 CA PRO A 48 2.069 0.132 -9.111 1.00 0.00 C ATOM 740 C PRO A 48 1.572 0.937 -10.322 1.00 0.00 C ATOM 741 O PRO A 48 1.903 0.641 -11.470 1.00 0.00 O ATOM 742 CB PRO A 48 3.141 0.887 -8.313 1.00 0.00 C ATOM 743 CG PRO A 48 4.446 0.433 -8.956 1.00 0.00 C ATOM 744 CD PRO A 48 4.155 -1.027 -9.285 1.00 0.00 C ATOM 0 HA PRO A 48 1.176 -0.049 -8.513 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.011 1.967 -8.387 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.106 0.634 -7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.682 1.012 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.292 0.536 -8.276 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.715 -1.348 -10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.451 -1.679 -8.463 1.00 0.00 H new ATOM 752 N ASP A 49 0.802 1.994 -10.063 1.00 0.00 N ATOM 753 CA ASP A 49 0.553 3.044 -11.048 1.00 0.00 C ATOM 754 C ASP A 49 1.802 3.900 -11.201 1.00 0.00 C ATOM 755 O ASP A 49 2.749 3.850 -10.409 1.00 0.00 O ATOM 756 CB ASP A 49 -0.635 3.949 -10.668 1.00 0.00 C ATOM 757 CG ASP A 49 -1.939 3.657 -11.416 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.143 2.531 -11.931 1.00 0.00 O ATOM 759 OD2 ASP A 49 -2.727 4.620 -11.522 1.00 0.00 O ATOM 0 H ASP A 49 0.336 2.145 -9.169 1.00 0.00 H new ATOM 0 HA ASP A 49 0.301 2.551 -11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.818 3.851 -9.598 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.354 4.986 -10.850 1.00 0.00 H new ATOM 764 N ALA A 50 1.773 4.736 -12.226 1.00 0.00 N ATOM 765 CA ALA A 50 2.869 5.491 -12.798 1.00 0.00 C ATOM 766 C ALA A 50 3.230 6.764 -12.011 1.00 0.00 C ATOM 767 O ALA A 50 3.516 7.807 -12.602 1.00 0.00 O ATOM 768 CB ALA A 50 2.399 5.784 -14.216 1.00 0.00 C ATOM 0 H ALA A 50 0.900 4.918 -12.722 1.00 0.00 H new ATOM 0 HA ALA A 50 3.804 4.931 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.163 6.357 -14.741 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.223 4.846 -14.742 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.474 6.359 -14.181 1.00 0.00 H new ATOM 774 N GLY A 51 3.184 6.677 -10.687 1.00 0.00 N ATOM 775 CA GLY A 51 3.393 7.771 -9.742 1.00 0.00 C ATOM 776 C GLY A 51 2.902 7.376 -8.351 1.00 0.00 C ATOM 777 O GLY A 51 2.273 8.177 -7.657 1.00 0.00 O ATOM 0 H GLY A 51 2.989 5.793 -10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.452 8.027 -9.701 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.863 8.660 -10.083 1.00 0.00 H new ATOM 781 N SER A 52 3.104 6.116 -7.958 1.00 0.00 N ATOM 782 CA SER A 52 2.535 5.557 -6.742 1.00 0.00 C ATOM 783 C SER A 52 3.474 4.501 -6.170 1.00 0.00 C ATOM 784 O SER A 52 4.375 4.030 -6.871 1.00 0.00 O ATOM 785 CB SER A 52 1.155 4.973 -7.082 1.00 0.00 C ATOM 786 OG SER A 52 1.253 3.940 -8.033 1.00 0.00 O ATOM 0 H SER A 52 3.674 5.453 -8.484 1.00 0.00 H new ATOM 0 HA SER A 52 2.413 6.326 -5.980 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.687 4.591 -6.175 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.509 5.763 -7.466 1.00 0.00 H new ATOM 0 HG SER A 52 1.951 4.161 -8.685 1.00 0.00 H new ATOM 792 N HIS A 53 3.237 4.084 -4.928 1.00 0.00 N ATOM 793 CA HIS A 53 3.933 2.953 -4.351 1.00 0.00 C ATOM 794 C HIS A 53 3.033 2.190 -3.388 1.00 0.00 C ATOM 795 O HIS A 53 2.090 2.734 -2.810 1.00 0.00 O ATOM 796 CB HIS A 53 5.237 3.387 -3.678 1.00 0.00 C ATOM 797 CG HIS A 53 5.103 4.389 -2.553 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.298 5.752 -2.620 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.896 4.086 -1.236 1.00 0.00 C ATOM 800 CE1 HIS A 53 5.198 6.244 -1.374 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.948 5.265 -0.493 1.00 0.00 N ATOM 0 H HIS A 53 2.560 4.522 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 53 4.197 2.274 -5.162 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.735 2.499 -3.289 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.892 3.811 -4.439 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.485 6.291 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.721 3.098 -0.837 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.305 7.287 -1.117 1.00 0.00 H new ATOM 809 N TRP A 54 3.316 0.897 -3.258 1.00 0.00 N ATOM 810 CA TRP A 54 2.679 0.029 -2.289 1.00 0.00 C ATOM 811 C TRP A 54 3.232 0.371 -0.909 1.00 0.00 C ATOM 812 O TRP A 54 4.415 0.688 -0.794 1.00 0.00 O ATOM 813 CB TRP A 54 2.961 -1.422 -2.691 1.00 0.00 C ATOM 814 CG TRP A 54 2.215 -1.863 -3.916 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.709 -2.029 -5.169 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.804 -2.211 -3.995 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.695 -2.468 -6.004 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.485 -2.517 -5.348 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.238 -2.285 -3.050 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.821 -2.807 -5.757 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.548 -2.611 -3.441 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.839 -2.855 -4.793 1.00 0.00 C ATOM 0 H TRP A 54 4.008 0.420 -3.837 1.00 0.00 H new ATOM 0 HA TRP A 54 1.598 0.165 -2.260 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.030 -1.540 -2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.699 -2.078 -1.861 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.731 -1.848 -5.468 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.828 -2.723 -6.983 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.027 -2.088 -2.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.042 -2.991 -6.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.332 -2.674 -2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.852 -3.081 -5.092 1.00 0.00 H new ATOM 833 N THR A 55 2.402 0.289 0.125 1.00 0.00 N ATOM 834 CA THR A 55 2.752 0.579 1.508 1.00 0.00 C ATOM 835 C THR A 55 2.225 -0.521 2.416 1.00 0.00 C ATOM 836 O THR A 55 1.331 -1.267 2.004 1.00 0.00 O ATOM 837 CB THR A 55 2.197 1.948 1.929 1.00 0.00 C ATOM 838 OG1 THR A 55 0.855 2.123 1.515 1.00 0.00 O ATOM 839 CG2 THR A 55 2.985 3.084 1.312 1.00 0.00 C ATOM 0 H THR A 55 1.428 0.007 0.017 1.00 0.00 H new ATOM 0 HA THR A 55 3.838 0.615 1.598 1.00 0.00 H new ATOM 0 HB THR A 55 2.271 1.967 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.673 1.548 0.742 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.563 4.036 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.025 3.022 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.936 3.013 0.225 1.00 0.00 H new ATOM 847 N TYR A 56 2.748 -0.606 3.643 1.00 0.00 N ATOM 848 CA TYR A 56 2.434 -1.666 4.588 1.00 0.00 C ATOM 849 C TYR A 56 1.502 -1.156 5.694 1.00 0.00 C ATOM 850 O TYR A 56 1.878 -1.080 6.869 1.00 0.00 O ATOM 851 CB TYR A 56 3.745 -2.286 5.109 1.00 0.00 C ATOM 852 CG TYR A 56 3.553 -3.616 5.811 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.698 -4.587 5.261 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.216 -3.883 7.021 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.438 -5.782 5.946 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.000 -5.098 7.697 1.00 0.00 C ATOM 857 CZ TYR A 56 3.093 -6.045 7.168 1.00 0.00 C ATOM 858 OH TYR A 56 2.861 -7.195 7.853 1.00 0.00 O ATOM 0 H TYR A 56 3.413 0.076 4.008 1.00 0.00 H new ATOM 0 HA TYR A 56 1.879 -2.463 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.430 -2.422 4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.219 -1.587 5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.237 -4.410 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.895 -3.152 7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.739 -6.499 5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.525 -5.307 8.617 1.00 0.00 H new ATOM 0 HH TYR A 56 3.401 -7.203 8.671 1.00 0.00 H new ATOM 868 N MET A 57 0.277 -0.797 5.306 1.00 0.00 N ATOM 869 CA MET A 57 -0.718 -0.165 6.165 1.00 0.00 C ATOM 870 C MET A 57 -1.324 -1.239 7.053 1.00 0.00 C ATOM 871 O MET A 57 -2.158 -2.027 6.610 1.00 0.00 O ATOM 872 CB MET A 57 -1.802 0.547 5.331 1.00 0.00 C ATOM 873 CG MET A 57 -1.952 2.043 5.627 1.00 0.00 C ATOM 874 SD MET A 57 -2.954 2.527 7.053 1.00 0.00 S ATOM 875 CE MET A 57 -1.915 2.054 8.455 1.00 0.00 C ATOM 0 H MET A 57 -0.058 -0.944 4.354 1.00 0.00 H new ATOM 0 HA MET A 57 -0.245 0.600 6.780 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.570 0.420 4.273 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.759 0.057 5.508 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.954 2.459 5.763 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.377 2.518 4.743 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.185 2.651 9.326 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.064 0.998 8.679 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.868 2.228 8.207 1.00 0.00 H new ATOM 885 N GLY A 58 -0.908 -1.293 8.315 1.00 0.00 N ATOM 886 CA GLY A 58 -1.645 -2.050 9.312 1.00 0.00 C ATOM 887 C GLY A 58 -1.512 -3.562 9.148 1.00 0.00 C ATOM 888 O GLY A 58 -2.256 -4.290 9.807 1.00 0.00 O ATOM 0 H GLY A 58 -0.072 -0.825 8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.294 -1.768 10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.699 -1.778 9.258 1.00 0.00 H new ATOM 892 N GLY A 59 -0.601 -4.047 8.296 1.00 0.00 N ATOM 893 CA GLY A 59 -0.500 -5.452 7.936 1.00 0.00 C ATOM 894 C GLY A 59 -0.961 -5.729 6.512 1.00 0.00 C ATOM 895 O GLY A 59 -0.802 -6.863 6.060 1.00 0.00 O ATOM 0 H GLY A 59 0.093 -3.459 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.534 -5.778 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.098 -6.044 8.629 1.00 0.00 H new ATOM 899 N ASN A 60 -1.497 -4.729 5.808 1.00 0.00 N ATOM 900 CA ASN A 60 -2.124 -4.860 4.510 1.00 0.00 C ATOM 901 C ASN A 60 -1.253 -4.113 3.508 1.00 0.00 C ATOM 902 O ASN A 60 -0.444 -3.266 3.897 1.00 0.00 O ATOM 903 CB ASN A 60 -3.536 -4.252 4.572 1.00 0.00 C ATOM 904 CG ASN A 60 -4.294 -4.621 5.852 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.289 -5.768 6.294 1.00 0.00 O ATOM 906 ND2 ASN A 60 -4.936 -3.654 6.494 1.00 0.00 N ATOM 0 H ASN A 60 -1.501 -3.768 6.150 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.217 -5.904 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.461 -3.167 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.109 -4.589 3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.431 -3.859 7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.935 -2.705 6.120 1.00 0.00 H new ATOM 913 N TYR A 61 -1.435 -4.389 2.223 1.00 0.00 N ATOM 914 CA TYR A 61 -0.644 -3.823 1.147 1.00 0.00 C ATOM 915 C TYR A 61 -1.522 -2.857 0.373 1.00 0.00 C ATOM 916 O TYR A 61 -2.473 -3.288 -0.283 1.00 0.00 O ATOM 917 CB TYR A 61 -0.089 -4.949 0.271 1.00 0.00 C ATOM 918 CG TYR A 61 0.907 -5.824 1.005 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.055 -5.237 1.559 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.672 -7.197 1.195 1.00 0.00 C ATOM 921 CE1 TYR A 61 2.980 -6.014 2.275 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.610 -7.983 1.886 1.00 0.00 C ATOM 923 CZ TYR A 61 2.766 -7.394 2.443 1.00 0.00 C ATOM 924 OH TYR A 61 3.670 -8.120 3.159 1.00 0.00 O ATOM 0 H TYR A 61 -2.157 -5.030 1.896 1.00 0.00 H new ATOM 0 HA TYR A 61 0.214 -3.271 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.914 -5.566 -0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.391 -4.518 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.229 -4.178 1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.230 -7.648 0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.859 -5.550 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.445 -9.045 1.992 1.00 0.00 H new ATOM 0 HH TYR A 61 4.113 -8.764 2.569 1.00 0.00 H new ATOM 934 N VAL A 62 -1.240 -1.554 0.456 1.00 0.00 N ATOM 935 CA VAL A 62 -2.148 -0.544 -0.077 1.00 0.00 C ATOM 936 C VAL A 62 -1.355 0.364 -1.015 1.00 0.00 C ATOM 937 O VAL A 62 -0.220 0.738 -0.705 1.00 0.00 O ATOM 938 CB VAL A 62 -2.915 0.157 1.068 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.441 -0.841 2.112 1.00 0.00 C ATOM 940 CG2 VAL A 62 -2.108 1.232 1.789 1.00 0.00 C ATOM 0 H VAL A 62 -0.394 -1.179 0.885 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.942 -0.981 -0.682 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.750 0.644 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.972 -0.301 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.120 -1.546 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.604 -1.385 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.716 1.676 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.216 0.785 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.815 2.005 1.078 1.00 0.00 H new ATOM 950 N LEU A 63 -1.892 0.627 -2.208 1.00 0.00 N ATOM 951 CA LEU A 63 -1.220 1.403 -3.252 1.00 0.00 C ATOM 952 C LEU A 63 -1.626 2.864 -3.112 1.00 0.00 C ATOM 953 O LEU A 63 -2.812 3.171 -3.241 1.00 0.00 O ATOM 954 CB LEU A 63 -1.610 0.861 -4.634 1.00 0.00 C ATOM 955 CG LEU A 63 -0.896 1.564 -5.804 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.633 1.456 -5.714 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.382 0.942 -7.122 1.00 0.00 C ATOM 0 H LEU A 63 -2.820 0.302 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.138 1.319 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.386 -0.205 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.687 0.965 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.142 2.625 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.085 1.969 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.976 1.917 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.925 0.406 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.885 1.430 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.147 -0.122 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.460 1.076 -7.212 1.00 0.00 H new ATOM 969 N ILE A 64 -0.679 3.755 -2.831 1.00 0.00 N ATOM 970 CA ILE A 64 -0.933 5.181 -2.647 1.00 0.00 C ATOM 971 C ILE A 64 -0.214 5.970 -3.734 1.00 0.00 C ATOM 972 O ILE A 64 0.903 5.603 -4.108 1.00 0.00 O ATOM 973 CB ILE A 64 -0.526 5.628 -1.229 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.963 5.406 -0.887 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.432 4.939 -0.202 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.388 6.199 0.352 1.00 0.00 C ATOM 0 H ILE A 64 0.303 3.502 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.001 5.379 -2.741 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.660 6.709 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.142 4.344 -0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.579 5.702 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.147 5.252 0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.470 5.216 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.324 3.858 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.442 6.015 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.234 7.263 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.791 5.884 1.208 1.00 0.00 H new ATOM 988 N THR A 65 -0.814 7.044 -4.254 1.00 0.00 N ATOM 989 CA THR A 65 -0.065 7.957 -5.107 1.00 0.00 C ATOM 990 C THR A 65 0.927 8.716 -4.238 1.00 0.00 C ATOM 991 O THR A 65 0.608 9.127 -3.131 1.00 0.00 O ATOM 992 CB THR A 65 -0.981 8.920 -5.876 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.162 9.251 -5.175 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.367 8.307 -7.218 1.00 0.00 C ATOM 0 H THR A 65 -1.791 7.295 -4.102 1.00 0.00 H new ATOM 0 HA THR A 65 0.465 7.380 -5.865 1.00 0.00 H new ATOM 0 HB THR A 65 -0.411 9.839 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.798 9.677 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.017 8.995 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.468 8.120 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.893 7.367 -7.051 1.00 0.00 H new ATOM 1002 N ASP A 66 2.113 8.981 -4.761 1.00 0.00 N ATOM 1003 CA ASP A 66 3.182 9.688 -4.041 1.00 0.00 C ATOM 1004 C ASP A 66 2.977 11.204 -4.054 1.00 0.00 C ATOM 1005 O ASP A 66 3.889 11.978 -3.773 1.00 0.00 O ATOM 1006 CB ASP A 66 4.502 9.341 -4.717 1.00 0.00 C ATOM 1007 CG ASP A 66 5.595 8.969 -3.715 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.831 9.699 -2.726 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.315 7.976 -3.981 1.00 0.00 O ATOM 0 H ASP A 66 2.373 8.711 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 66 3.176 9.375 -2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.346 8.510 -5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.835 10.190 -5.314 1.00 0.00 H new ATOM 1014 N THR A 67 1.805 11.627 -4.514 1.00 0.00 N ATOM 1015 CA THR A 67 1.496 12.982 -4.944 1.00 0.00 C ATOM 1016 C THR A 67 0.019 13.322 -4.644 1.00 0.00 C ATOM 1017 O THR A 67 -0.567 14.246 -5.223 1.00 0.00 O ATOM 1018 CB THR A 67 1.944 13.067 -6.418 1.00 0.00 C ATOM 1019 OG1 THR A 67 2.126 14.402 -6.837 1.00 0.00 O ATOM 1020 CG2 THR A 67 1.078 12.276 -7.412 1.00 0.00 C ATOM 0 H THR A 67 1.005 11.000 -4.601 1.00 0.00 H new ATOM 0 HA THR A 67 2.031 13.757 -4.394 1.00 0.00 H new ATOM 0 HB THR A 67 2.911 12.564 -6.434 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.411 14.415 -7.775 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.475 12.400 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.090 11.219 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.054 12.647 -7.378 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.612 12.527 -3.771 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.951 12.726 -3.225 1.00 0.00 C ATOM 1030 C GLU A 68 -2.174 11.699 -2.116 1.00 0.00 C ATOM 1031 O GLU A 68 -2.615 12.039 -1.020 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.993 12.534 -4.333 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.434 12.733 -3.894 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.252 13.255 -5.082 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.728 12.446 -5.917 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.289 14.493 -5.278 1.00 0.00 O ATOM 0 H GLU A 68 -0.173 11.681 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.050 13.735 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.775 13.231 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.888 11.529 -4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.851 11.792 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.481 13.440 -3.066 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.808 10.445 -2.374 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.027 9.339 -1.470 1.00 0.00 C ATOM 1045 C GLY A 69 -3.432 8.784 -1.574 1.00 0.00 C ATOM 1046 O GLY A 69 -3.920 8.223 -0.590 1.00 0.00 O ATOM 0 H GLY A 69 -1.341 10.173 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.309 8.548 -1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.842 9.666 -0.447 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.089 8.937 -2.732 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.355 8.268 -2.959 1.00 0.00 C ATOM 1052 C LYS A 70 -5.112 6.770 -2.881 1.00 0.00 C ATOM 1053 O LYS A 70 -4.108 6.264 -3.384 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.995 8.643 -4.302 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.199 9.592 -4.145 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.307 9.327 -5.178 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.795 9.234 -6.617 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.238 10.515 -7.085 1.00 0.00 N ATOM 0 H LYS A 70 -3.762 9.511 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.061 8.589 -2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.246 9.116 -4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.318 7.735 -4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.611 9.485 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.858 10.623 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.816 8.398 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.048 10.124 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.030 8.460 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.610 8.931 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.680 10.356 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.014 11.176 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.626 10.918 -6.347 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.038 6.082 -2.236 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.029 4.663 -1.974 1.00 0.00 C ATOM 1074 C ILE A 71 -6.470 3.991 -3.265 1.00 0.00 C ATOM 1075 O ILE A 71 -7.655 3.726 -3.473 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.903 4.386 -0.727 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.221 5.092 0.472 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.080 2.882 -0.441 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -6.978 5.001 1.788 1.00 0.00 C ATOM 0 H ILE A 71 -6.870 6.536 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.052 4.252 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.908 4.771 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.229 4.662 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.081 6.144 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.702 2.751 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.559 2.403 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.104 2.427 -0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.421 5.525 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.961 5.459 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.095 3.954 2.069 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.509 3.784 -4.165 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.775 3.256 -5.490 1.00 0.00 C ATOM 1093 C LEU A 72 -6.274 1.819 -5.383 1.00 0.00 C ATOM 1094 O LEU A 72 -7.200 1.441 -6.098 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.524 3.299 -6.386 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.866 4.671 -6.637 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.847 4.513 -7.775 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -4.860 5.771 -7.022 1.00 0.00 C ATOM 0 H LEU A 72 -4.524 3.980 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.539 3.885 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.773 2.643 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.790 2.873 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.401 4.981 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.368 5.472 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.091 3.782 -7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.357 4.172 -8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.324 6.706 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.379 5.488 -7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.586 5.902 -6.220 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.633 0.994 -4.545 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.916 -0.435 -4.404 1.00 0.00 C ATOM 1112 C LYS A 73 -5.551 -0.873 -2.992 1.00 0.00 C ATOM 1113 O LYS A 73 -4.663 -0.264 -2.389 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.057 -1.250 -5.380 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.226 -0.870 -6.855 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.353 -1.755 -7.753 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.144 -2.801 -8.543 1.00 0.00 C ATOM 1118 NZ LYS A 73 -6.042 -3.647 -7.725 1.00 0.00 N ATOM 0 H LYS A 73 -4.884 1.313 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.973 -0.603 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.009 -1.131 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.299 -2.306 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.272 -0.973 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.957 0.177 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.807 -1.121 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.611 -2.263 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.739 -2.291 -9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.441 -3.446 -9.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.930 -3.811 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.580 -4.559 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.248 -3.166 -6.826 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.119 -1.986 -2.533 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.761 -2.668 -1.296 1.00 0.00 C ATOM 1134 C VAL A 74 -5.692 -4.158 -1.620 1.00 0.00 C ATOM 1135 O VAL A 74 -6.502 -4.649 -2.410 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.809 -2.372 -0.201 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.561 -3.144 1.108 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.880 -0.873 0.121 1.00 0.00 C ATOM 0 H VAL A 74 -6.873 -2.455 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.801 -2.323 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.757 -2.711 -0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.334 -2.889 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.589 -4.215 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.584 -2.875 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.628 -0.702 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.907 -0.530 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.155 -0.321 -0.777 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.753 -4.862 -0.992 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.744 -6.310 -0.857 1.00 0.00 C ATOM 1150 C TYR A 75 -4.365 -6.637 0.590 1.00 0.00 C ATOM 1151 O TYR A 75 -3.545 -5.929 1.179 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.720 -6.927 -1.807 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.099 -6.840 -3.272 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.933 -7.815 -3.844 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.633 -5.774 -4.060 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.326 -7.712 -5.187 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.016 -5.668 -5.408 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.890 -6.621 -5.969 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.318 -6.455 -7.250 1.00 0.00 O ATOM 0 H TYR A 75 -3.949 -4.419 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.725 -6.717 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.761 -6.430 -1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.580 -7.975 -1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.273 -8.648 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.977 -5.033 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.962 -8.468 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.641 -4.857 -6.014 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.219 -6.829 -7.345 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.912 -7.704 1.167 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.479 -8.174 2.483 1.00 0.00 C ATOM 1171 C ASP A 76 -3.045 -8.703 2.455 1.00 0.00 C ATOM 1172 O ASP A 76 -2.545 -9.134 1.413 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.439 -9.227 3.060 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.102 -9.447 4.537 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -5.458 -8.555 5.340 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -4.344 -10.387 4.860 1.00 0.00 O ATOM 0 H ASP A 76 -5.656 -8.260 0.745 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.500 -7.308 3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.472 -8.894 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.348 -10.163 2.509 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.388 -8.688 3.617 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.046 -9.197 3.810 1.00 0.00 C ATOM 1183 C GLY A 77 -0.879 -10.667 3.446 1.00 0.00 C ATOM 1184 O GLY A 77 0.231 -11.069 3.094 1.00 0.00 O ATOM 0 H GLY A 77 -2.796 -8.307 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.355 -8.605 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.763 -9.058 4.853 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.948 -11.468 3.488 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.897 -12.888 3.157 1.00 0.00 C ATOM 1190 C GLU A 78 -1.298 -13.163 1.767 1.00 0.00 C ATOM 1191 O GLU A 78 -0.687 -14.218 1.570 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.294 -13.520 3.254 1.00 0.00 C ATOM 1193 CG GLU A 78 -3.687 -13.953 4.675 1.00 0.00 C ATOM 1194 CD GLU A 78 -4.502 -15.254 4.700 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -4.085 -16.258 4.059 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.541 -15.290 5.388 1.00 0.00 O ATOM 0 H GLU A 78 -2.877 -11.143 3.755 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.234 -13.346 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.031 -12.806 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.335 -14.388 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.784 -14.084 5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.267 -13.158 5.144 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.407 -12.223 0.819 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.896 -12.374 -0.544 1.00 0.00 C ATOM 1205 C ILE A 79 0.634 -12.535 -0.585 1.00 0.00 C ATOM 1206 O ILE A 79 1.189 -13.031 -1.573 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.378 -11.170 -1.382 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.208 -11.456 -2.885 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.646 -9.875 -0.986 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.942 -10.464 -3.787 1.00 0.00 C ATOM 0 H ILE A 79 -1.860 -11.324 0.983 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.290 -13.295 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.438 -11.023 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.146 -11.440 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.569 -12.462 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.011 -9.049 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.833 -9.659 0.066 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.425 -9.999 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.776 -10.730 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.010 -10.496 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.565 -9.458 -3.604 1.00 0.00 H new ATOM 1222 N PHE A 80 1.330 -12.118 0.478 1.00 0.00 N ATOM 1223 CA PHE A 80 2.770 -12.257 0.602 1.00 0.00 C ATOM 1224 C PHE A 80 3.149 -13.737 0.580 1.00 0.00 C ATOM 1225 O PHE A 80 4.102 -14.120 -0.097 1.00 0.00 O ATOM 1226 CB PHE A 80 3.218 -11.585 1.908 1.00 0.00 C ATOM 1227 CG PHE A 80 4.713 -11.528 2.134 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.468 -10.483 1.574 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.350 -12.504 2.920 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.856 -10.422 1.791 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.734 -12.430 3.155 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.491 -11.389 2.590 1.00 0.00 C ATOM 0 H PHE A 80 0.895 -11.669 1.284 1.00 0.00 H new ATOM 0 HA PHE A 80 3.273 -11.772 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.827 -10.568 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.762 -12.116 2.744 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.982 -9.726 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.774 -13.313 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.436 -9.629 1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.217 -13.174 3.771 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.555 -11.332 2.769 1.00 0.00 H new ATOM 1242 N TYR A 81 2.422 -14.572 1.320 1.00 0.00 N ATOM 1243 CA TYR A 81 2.799 -15.959 1.587 1.00 0.00 C ATOM 1244 C TYR A 81 2.338 -16.893 0.461 1.00 0.00 C ATOM 1245 O TYR A 81 2.865 -17.999 0.333 1.00 0.00 O ATOM 1246 CB TYR A 81 2.223 -16.381 2.950 1.00 0.00 C ATOM 1247 CG TYR A 81 2.556 -15.379 4.046 1.00 0.00 C ATOM 1248 CD1 TYR A 81 1.717 -14.270 4.258 1.00 0.00 C ATOM 1249 CD2 TYR A 81 3.766 -15.477 4.758 1.00 0.00 C ATOM 1250 CE1 TYR A 81 2.109 -13.229 5.112 1.00 0.00 C ATOM 1251 CE2 TYR A 81 4.155 -14.455 5.644 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.340 -13.311 5.799 1.00 0.00 C ATOM 1253 OH TYR A 81 3.755 -12.265 6.564 1.00 0.00 O ATOM 0 H TYR A 81 1.542 -14.300 1.757 1.00 0.00 H new ATOM 0 HA TYR A 81 3.886 -16.035 1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.141 -16.484 2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.617 -17.360 3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.761 -14.220 3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.400 -16.341 4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.471 -12.367 5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.074 -14.545 6.204 1.00 0.00 H new ATOM 0 HH TYR A 81 4.621 -12.480 6.970 1.00 0.00 H new ATOM 1263 N HIS A 82 1.403 -16.425 -0.367 1.00 0.00 N ATOM 1264 CA HIS A 82 0.739 -17.122 -1.452 1.00 0.00 C ATOM 1265 C HIS A 82 1.778 -17.617 -2.452 1.00 0.00 C ATOM 1266 O HIS A 82 2.802 -16.957 -2.675 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.245 -16.120 -2.074 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.054 -16.605 -3.249 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -1.840 -17.735 -3.299 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.221 -15.927 -4.428 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.444 -17.750 -4.499 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.112 -16.660 -5.214 1.00 0.00 N ATOM 0 H HIS A 82 1.067 -15.466 -0.282 1.00 0.00 H new ATOM 0 HA HIS A 82 0.195 -18.003 -1.111 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.936 -15.795 -1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.318 -15.241 -2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.749 -14.995 -4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.106 -18.531 -4.843 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.446 -16.417 -6.147 1.00 0.00 H new ATOM 1280 N ARG A 83 1.506 -18.757 -3.078 1.00 0.00 N ATOM 1281 CA ARG A 83 2.281 -19.308 -4.175 1.00 0.00 C ATOM 1282 C ARG A 83 1.293 -19.901 -5.163 1.00 0.00 C ATOM 1283 O ARG A 83 1.709 -20.431 -6.214 1.00 0.00 O ATOM 1284 CB ARG A 83 3.261 -20.392 -3.685 1.00 0.00 C ATOM 1285 CG ARG A 83 4.349 -19.863 -2.734 1.00 0.00 C ATOM 1286 CD ARG A 83 5.604 -20.750 -2.701 1.00 0.00 C ATOM 1287 NE ARG A 83 5.746 -21.563 -1.480 1.00 0.00 N ATOM 1288 CZ ARG A 83 6.869 -22.193 -1.110 1.00 0.00 C ATOM 1289 NH1 ARG A 83 8.016 -21.973 -1.742 1.00 0.00 N ATOM 1290 NH2 ARG A 83 6.862 -23.056 -0.101 1.00 0.00 N ATOM 0 H ARG A 83 0.710 -19.341 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 83 2.882 -18.525 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.698 -21.175 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.740 -20.853 -4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.631 -18.855 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.938 -19.788 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.587 -21.415 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.484 -20.116 -2.804 1.00 0.00 H new ATOM 0 HE ARG A 83 4.931 -21.652 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.051 -21.316 -2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.862 -22.461 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.995 -23.246 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.724 -23.529 0.171 1.00 0.00 H new