USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 103 GLN : amide:sc= -15.7! C(o=-24!,f=-28!) USER MOD Set 1.2: A 106 GLN : amide:sc= -8.5! C(o=-24!,f=-25!) USER MOD Set 2.1: A 48 ASN : amide:sc= -8.38! C(o=-12!,f=-18!) USER MOD Set 2.2: A 80 CYS SG : rot -53:sc= -3.47! USER MOD Set 3.1: A 23 HIS : no HE2:sc= -0.637 K(o=-1.3,f=-4.1) USER MOD Set 3.2: A 24 HIS : no HD1:sc= -0.654 X(o=-1.3,f=-1.1) USER MOD Set 4.1: A 7 ASN : amide:sc= -3.1! K(o=-18!,f=-7.7) USER MOD Set 4.2: A 9 LYS NZ :NH3+ 152:sc= -8.88! (180deg=-3.55!) USER MOD Set 4.3: A 14 CYS SG : rot 46:sc= -6.15! USER MOD Single : A 6 MET CE :methyl 148:sc= -0.0503 (180deg=-0.356) USER MOD Single : A 11 SER OG : rot -89:sc= -1.18! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 155:sc= -3.14! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.03 K(o=-1,f=-0.26) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -7.26! C(o=-7.3!,f=-9.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -15! C(o=-15!,f=-20!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -160:sc= -18.4! (180deg=-18.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 58 SER OG : rot -130:sc= -0.671 USER MOD Single : A 67 TYR OH : rot 110:sc= -1.55 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0722 X(o=-0.072,f=0) USER MOD Single : A 77 MET CE :methyl -167:sc= -0.233 (180deg=-0.558) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= -0.988 (180deg=-1.91!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.571 -13.650 0.334 1.00 0.00 N ATOM 12 CA LEU A 2 -7.614 -12.650 -0.110 1.00 0.00 C ATOM 13 C LEU A 2 -6.229 -13.291 -0.221 1.00 0.00 C ATOM 14 O LEU A 2 -5.859 -14.125 0.603 1.00 0.00 O ATOM 15 CB LEU A 2 -7.653 -11.427 0.809 1.00 0.00 C ATOM 16 CG LEU A 2 -6.443 -10.494 0.736 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.784 -9.211 -0.025 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.890 -10.203 2.132 1.00 0.00 C ATOM 0 HA LEU A 2 -7.877 -12.284 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.547 -10.849 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.758 -11.773 1.837 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.656 -11.000 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.906 -8.566 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.093 -9.461 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.595 -8.691 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.030 -9.538 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.662 -9.727 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.583 -11.137 2.604 1.00 0.00 H new ATOM 29 N GLY A 3 -5.502 -12.876 -1.248 1.00 0.00 N ATOM 30 CA GLY A 3 -4.166 -13.400 -1.479 1.00 0.00 C ATOM 31 C GLY A 3 -3.125 -12.616 -0.678 1.00 0.00 C ATOM 32 O GLY A 3 -3.456 -11.975 0.319 1.00 0.00 O ATOM 0 H GLY A 3 -5.812 -12.183 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.130 -14.452 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.929 -13.346 -2.542 1.00 0.00 H new ATOM 36 N ILE A 4 -1.887 -12.690 -1.144 1.00 0.00 N ATOM 37 CA ILE A 4 -0.795 -11.996 -0.484 1.00 0.00 C ATOM 38 C ILE A 4 0.515 -12.305 -1.212 1.00 0.00 C ATOM 39 O ILE A 4 0.795 -13.460 -1.527 1.00 0.00 O ATOM 40 CB ILE A 4 -0.766 -12.337 1.008 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.413 -11.107 1.845 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.178 -13.509 1.283 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.535 -10.178 1.083 1.00 0.00 C ATOM 0 H ILE A 4 -1.616 -13.221 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.942 -10.917 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.766 -12.652 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.323 -10.568 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.052 -11.420 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.181 -13.731 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.160 -14.386 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.187 -13.246 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.770 -9.311 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.454 -10.713 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.057 -9.847 0.161 1.00 0.00 H new ATOM 54 N ASP A 5 1.282 -11.253 -1.456 1.00 0.00 N ATOM 55 CA ASP A 5 2.556 -11.398 -2.140 1.00 0.00 C ATOM 56 C ASP A 5 3.523 -10.322 -1.643 1.00 0.00 C ATOM 57 O ASP A 5 3.121 -9.184 -1.404 1.00 0.00 O ATOM 58 CB ASP A 5 2.392 -11.225 -3.652 1.00 0.00 C ATOM 59 CG ASP A 5 2.957 -12.367 -4.498 1.00 0.00 C ATOM 60 OD1 ASP A 5 2.204 -13.177 -5.061 1.00 0.00 O ATOM 61 OD2 ASP A 5 4.244 -12.408 -4.570 1.00 0.00 O ATOM 0 H ASP A 5 1.046 -10.296 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 5 2.939 -12.397 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.331 -11.116 -3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.878 -10.296 -3.951 1.00 0.00 H new ATOM 66 N MET A 6 4.779 -10.720 -1.501 1.00 0.00 N ATOM 67 CA MET A 6 5.806 -9.803 -1.037 1.00 0.00 C ATOM 68 C MET A 6 7.087 -9.951 -1.861 1.00 0.00 C ATOM 69 O MET A 6 7.494 -11.065 -2.189 1.00 0.00 O ATOM 70 CB MET A 6 6.112 -10.084 0.436 1.00 0.00 C ATOM 71 CG MET A 6 6.117 -8.789 1.251 1.00 0.00 C ATOM 72 SD MET A 6 7.421 -8.838 2.468 1.00 0.00 S ATOM 73 CE MET A 6 8.843 -8.632 1.407 1.00 0.00 C ATOM 0 H MET A 6 5.108 -11.665 -1.699 1.00 0.00 H new ATOM 0 HA MET A 6 5.437 -8.784 -1.154 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.368 -10.770 0.841 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.081 -10.576 0.523 1.00 0.00 H new ATOM 0 HG2 MET A 6 6.258 -7.934 0.590 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.154 -8.656 1.743 1.00 0.00 H new ATOM 0 HE1 MET A 6 9.623 -8.092 1.944 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.219 -9.611 1.109 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.556 -8.068 0.520 1.00 0.00 H new ATOM 81 N ASN A 7 7.685 -8.812 -2.175 1.00 0.00 N ATOM 82 CA ASN A 7 8.911 -8.800 -2.956 1.00 0.00 C ATOM 83 C ASN A 7 9.822 -7.680 -2.449 1.00 0.00 C ATOM 84 O ASN A 7 9.348 -6.603 -2.089 1.00 0.00 O ATOM 85 CB ASN A 7 8.619 -8.539 -4.434 1.00 0.00 C ATOM 86 CG ASN A 7 8.983 -9.756 -5.287 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.153 -10.588 -5.613 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.267 -9.811 -5.630 1.00 0.00 N ATOM 0 H ASN A 7 7.344 -7.890 -1.903 1.00 0.00 H new ATOM 0 HA ASN A 7 9.389 -9.774 -2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.563 -8.302 -4.564 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.184 -7.671 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.610 -10.584 -6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.909 -9.080 -5.323 1.00 0.00 H new ATOM 94 N VAL A 8 11.114 -7.972 -2.436 1.00 0.00 N ATOM 95 CA VAL A 8 12.096 -7.004 -1.980 1.00 0.00 C ATOM 96 C VAL A 8 12.943 -6.543 -3.168 1.00 0.00 C ATOM 97 O VAL A 8 13.357 -7.357 -3.992 1.00 0.00 O ATOM 98 CB VAL A 8 12.933 -7.602 -0.846 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.366 -7.873 -1.307 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.915 -6.695 0.386 1.00 0.00 C ATOM 0 H VAL A 8 11.504 -8.866 -2.734 1.00 0.00 H new ATOM 0 HA VAL A 8 11.601 -6.122 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 8 12.485 -8.556 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.939 -8.297 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.353 -8.576 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.828 -6.939 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.517 -7.143 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.326 -5.720 0.126 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.889 -6.575 0.735 1.00 0.00 H new ATOM 110 N LYS A 9 13.173 -5.239 -3.218 1.00 0.00 N ATOM 111 CA LYS A 9 13.963 -4.661 -4.293 1.00 0.00 C ATOM 112 C LYS A 9 14.875 -3.573 -3.720 1.00 0.00 C ATOM 113 O LYS A 9 14.418 -2.473 -3.415 1.00 0.00 O ATOM 114 CB LYS A 9 13.053 -4.169 -5.421 1.00 0.00 C ATOM 115 CG LYS A 9 11.623 -4.678 -5.233 1.00 0.00 C ATOM 116 CD LYS A 9 11.499 -6.140 -5.668 1.00 0.00 C ATOM 117 CE LYS A 9 10.698 -6.259 -6.966 1.00 0.00 C ATOM 118 NZ LYS A 9 9.974 -7.549 -7.011 1.00 0.00 N ATOM 0 H LYS A 9 12.827 -4.567 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 9 14.608 -5.416 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.055 -3.079 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.441 -4.510 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.333 -4.580 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.935 -4.063 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.492 -6.567 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.012 -6.717 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.989 -5.434 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.368 -6.181 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.116 -7.446 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.588 -8.277 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.708 -7.832 -6.046 1.00 0.00 H new ATOM 127 N GLU A 10 16.147 -3.920 -3.594 1.00 0.00 N ATOM 128 CA GLU A 10 17.127 -2.987 -3.064 1.00 0.00 C ATOM 129 C GLU A 10 16.799 -2.643 -1.609 1.00 0.00 C ATOM 130 O GLU A 10 17.696 -2.344 -0.821 1.00 0.00 O ATOM 131 CB GLU A 10 17.203 -1.724 -3.923 1.00 0.00 C ATOM 132 CG GLU A 10 17.879 -0.583 -3.161 1.00 0.00 C ATOM 133 CD GLU A 10 18.766 0.247 -4.092 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.373 1.347 -4.505 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.903 -0.290 -4.383 1.00 0.00 O ATOM 0 H GLU A 10 16.522 -4.834 -3.849 1.00 0.00 H new ATOM 0 HA GLU A 10 18.107 -3.464 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.758 -1.935 -4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.199 -1.422 -4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.121 0.057 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.480 -0.990 -2.347 1.00 0.00 H new ATOM 141 N SER A 11 15.513 -2.696 -1.297 1.00 0.00 N ATOM 142 CA SER A 11 15.056 -2.393 0.048 1.00 0.00 C ATOM 143 C SER A 11 13.548 -2.139 0.044 1.00 0.00 C ATOM 144 O SER A 11 12.947 -1.928 1.097 1.00 0.00 O ATOM 145 CB SER A 11 15.797 -1.183 0.622 1.00 0.00 C ATOM 146 OG SER A 11 16.578 -0.517 -0.367 1.00 0.00 O ATOM 0 H SER A 11 14.773 -2.944 -1.953 1.00 0.00 H new ATOM 0 HA SER A 11 15.271 -3.252 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.076 -0.484 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.444 -1.507 1.437 1.00 0.00 H new ATOM 0 HG SER A 11 17.474 -0.912 -0.397 1.00 0.00 H new ATOM 151 N VAL A 12 12.979 -2.167 -1.152 1.00 0.00 N ATOM 152 CA VAL A 12 11.551 -1.943 -1.307 1.00 0.00 C ATOM 153 C VAL A 12 10.812 -3.275 -1.171 1.00 0.00 C ATOM 154 O VAL A 12 11.041 -4.199 -1.949 1.00 0.00 O ATOM 155 CB VAL A 12 11.274 -1.239 -2.637 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.466 -2.196 -3.814 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.872 -0.626 -2.650 1.00 0.00 C ATOM 0 H VAL A 12 13.480 -2.341 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 12 11.180 -1.284 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 12 11.995 -0.429 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.263 -1.670 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.492 -2.564 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.780 -3.037 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.700 -0.132 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.130 -1.412 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.786 0.103 -1.844 1.00 0.00 H new ATOM 167 N LEU A 13 9.940 -3.332 -0.174 1.00 0.00 N ATOM 168 CA LEU A 13 9.166 -4.536 0.075 1.00 0.00 C ATOM 169 C LEU A 13 7.831 -4.440 -0.667 1.00 0.00 C ATOM 170 O LEU A 13 6.887 -3.820 -0.177 1.00 0.00 O ATOM 171 CB LEU A 13 9.018 -4.777 1.578 1.00 0.00 C ATOM 172 CG LEU A 13 8.906 -3.525 2.451 1.00 0.00 C ATOM 173 CD1 LEU A 13 10.280 -2.893 2.682 1.00 0.00 C ATOM 174 CD2 LEU A 13 7.910 -2.529 1.854 1.00 0.00 C ATOM 0 H LEU A 13 9.753 -2.564 0.470 1.00 0.00 H new ATOM 0 HA LEU A 13 9.686 -5.411 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.132 -5.390 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.875 -5.358 1.919 1.00 0.00 H new ATOM 0 HG LEU A 13 8.520 -3.821 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.172 -2.005 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.931 -3.610 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.717 -2.613 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.849 -1.648 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.243 -2.233 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.927 -2.995 1.784 1.00 0.00 H new ATOM 185 N CYS A 14 7.793 -5.064 -1.835 1.00 0.00 N ATOM 186 CA CYS A 14 6.589 -5.058 -2.648 1.00 0.00 C ATOM 187 C CYS A 14 5.532 -5.917 -1.950 1.00 0.00 C ATOM 188 O CYS A 14 5.848 -6.974 -1.407 1.00 0.00 O ATOM 189 CB CYS A 14 6.866 -5.539 -4.074 1.00 0.00 C ATOM 190 SG CYS A 14 8.619 -5.238 -4.506 1.00 0.00 S ATOM 0 H CYS A 14 8.577 -5.577 -2.238 1.00 0.00 H new ATOM 0 HA CYS A 14 6.219 -4.037 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.639 -6.602 -4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.215 -5.017 -4.776 1.00 0.00 H new ATOM 0 HG CYS A 14 9.380 -5.627 -3.526 1.00 0.00 H new ATOM 195 N ILE A 15 4.301 -5.431 -1.988 1.00 0.00 N ATOM 196 CA ILE A 15 3.196 -6.141 -1.366 1.00 0.00 C ATOM 197 C ILE A 15 2.054 -6.281 -2.374 1.00 0.00 C ATOM 198 O ILE A 15 1.317 -5.327 -2.618 1.00 0.00 O ATOM 199 CB ILE A 15 2.785 -5.456 -0.062 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.470 -6.111 1.140 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.263 -5.432 0.089 1.00 0.00 C ATOM 202 CD1 ILE A 15 3.137 -7.602 1.216 1.00 0.00 C ATOM 0 H ILE A 15 4.044 -4.554 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 15 3.500 -7.150 -1.086 1.00 0.00 H new ATOM 0 HB ILE A 15 3.121 -4.420 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.549 -5.979 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.152 -5.617 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.998 -4.939 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.823 -4.886 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.882 -6.453 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.636 -8.043 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.059 -7.729 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.478 -8.098 0.307 1.00 0.00 H new ATOM 213 N ARG A 16 1.941 -7.477 -2.932 1.00 0.00 N ATOM 214 CA ARG A 16 0.901 -7.755 -3.907 1.00 0.00 C ATOM 215 C ARG A 16 -0.239 -8.542 -3.258 1.00 0.00 C ATOM 216 O ARG A 16 -0.141 -9.757 -3.090 1.00 0.00 O ATOM 217 CB ARG A 16 1.454 -8.551 -5.091 1.00 0.00 C ATOM 218 CG ARG A 16 1.148 -7.849 -6.416 1.00 0.00 C ATOM 219 CD ARG A 16 2.415 -7.694 -7.259 1.00 0.00 C ATOM 220 NE ARG A 16 2.056 -7.350 -8.653 1.00 0.00 N ATOM 221 CZ ARG A 16 1.686 -8.254 -9.584 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.622 -9.567 -9.277 1.00 0.00 N ATOM 223 NH2 ARG A 16 1.386 -7.834 -10.800 1.00 0.00 N ATOM 0 H ARG A 16 2.554 -8.266 -2.727 1.00 0.00 H new ATOM 0 HA ARG A 16 0.524 -6.799 -4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.532 -8.673 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.019 -9.551 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.405 -8.421 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.715 -6.868 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.050 -6.916 -6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.990 -8.620 -7.241 1.00 0.00 H new ATOM 0 HE ARG A 16 2.090 -6.368 -8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.854 -9.882 -8.335 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.341 -10.244 -9.987 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.436 -6.840 -11.023 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.104 -8.504 -11.516 1.00 0.00 H new ATOM 233 N LEU A 17 -1.293 -7.817 -2.911 1.00 0.00 N ATOM 234 CA LEU A 17 -2.451 -8.434 -2.285 1.00 0.00 C ATOM 235 C LEU A 17 -3.541 -8.646 -3.336 1.00 0.00 C ATOM 236 O LEU A 17 -3.869 -7.732 -4.090 1.00 0.00 O ATOM 237 CB LEU A 17 -2.910 -7.609 -1.080 1.00 0.00 C ATOM 238 CG LEU A 17 -2.211 -7.915 0.247 1.00 0.00 C ATOM 239 CD1 LEU A 17 -2.209 -6.687 1.160 1.00 0.00 C ATOM 240 CD2 LEU A 17 -2.836 -9.134 0.927 1.00 0.00 C ATOM 0 H LEU A 17 -1.369 -6.810 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.193 -9.417 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.764 -6.554 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.981 -7.761 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.170 -8.162 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.707 -6.930 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.683 -5.869 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.236 -6.386 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.321 -9.330 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.890 -8.940 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.743 -10.002 0.275 1.00 0.00 H new ATOM 251 N THR A 18 -4.074 -9.860 -3.353 1.00 0.00 N ATOM 252 CA THR A 18 -5.121 -10.204 -4.299 1.00 0.00 C ATOM 253 C THR A 18 -6.319 -10.816 -3.569 1.00 0.00 C ATOM 254 O THR A 18 -6.209 -11.889 -2.980 1.00 0.00 O ATOM 255 CB THR A 18 -4.517 -11.131 -5.356 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.523 -11.865 -4.648 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.727 -10.367 -6.421 1.00 0.00 C ATOM 0 H THR A 18 -3.800 -10.617 -2.726 1.00 0.00 H new ATOM 0 HA THR A 18 -5.505 -9.317 -4.804 1.00 0.00 H new ATOM 0 HB THR A 18 -5.312 -11.703 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.082 -12.492 -5.259 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.320 -11.071 -7.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.387 -9.664 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.911 -9.821 -5.947 1.00 0.00 H new ATOM 265 N GLY A 19 -7.436 -10.105 -3.634 1.00 0.00 N ATOM 266 CA GLY A 19 -8.653 -10.565 -2.986 1.00 0.00 C ATOM 267 C GLY A 19 -9.594 -9.393 -2.695 1.00 0.00 C ATOM 268 O GLY A 19 -10.028 -8.698 -3.612 1.00 0.00 O ATOM 0 H GLY A 19 -7.524 -9.215 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.157 -11.291 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.404 -11.076 -2.056 1.00 0.00 H new ATOM 272 N GLU A 20 -9.881 -9.211 -1.415 1.00 0.00 N ATOM 273 CA GLU A 20 -10.763 -8.137 -0.991 1.00 0.00 C ATOM 274 C GLU A 20 -10.051 -7.232 0.017 1.00 0.00 C ATOM 275 O GLU A 20 -9.087 -7.649 0.658 1.00 0.00 O ATOM 276 CB GLU A 20 -12.062 -8.692 -0.405 1.00 0.00 C ATOM 277 CG GLU A 20 -13.223 -8.523 -1.389 1.00 0.00 C ATOM 278 CD GLU A 20 -13.621 -9.866 -2.003 1.00 0.00 C ATOM 279 OE1 GLU A 20 -13.693 -10.878 -1.290 1.00 0.00 O ATOM 280 OE2 GLU A 20 -13.860 -9.835 -3.271 1.00 0.00 O ATOM 0 H GLU A 20 -9.518 -9.789 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.023 -7.541 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.935 -9.748 -0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.293 -8.178 0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.079 -8.086 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.937 -7.829 -2.179 1.00 0.00 H new ATOM 286 N LEU A 21 -10.550 -6.010 0.123 1.00 0.00 N ATOM 287 CA LEU A 21 -9.974 -5.043 1.042 1.00 0.00 C ATOM 288 C LEU A 21 -11.021 -4.652 2.088 1.00 0.00 C ATOM 289 O LEU A 21 -11.931 -3.877 1.801 1.00 0.00 O ATOM 290 CB LEU A 21 -9.399 -3.851 0.274 1.00 0.00 C ATOM 291 CG LEU A 21 -7.884 -3.862 0.057 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.152 -4.310 1.324 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.509 -4.717 -1.154 1.00 0.00 C ATOM 0 H LEU A 21 -11.347 -5.667 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.134 -5.483 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.886 -3.803 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.663 -2.938 0.808 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.563 -2.843 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.077 -4.309 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.383 -3.625 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.474 -5.316 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.427 -4.707 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.846 -5.741 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.986 -4.313 -2.047 1.00 0.00 H new ATOM 304 N ASP A 22 -10.856 -5.209 3.279 1.00 0.00 N ATOM 305 CA ASP A 22 -11.776 -4.928 4.369 1.00 0.00 C ATOM 306 C ASP A 22 -11.107 -5.285 5.698 1.00 0.00 C ATOM 307 O ASP A 22 -10.034 -5.886 5.716 1.00 0.00 O ATOM 308 CB ASP A 22 -13.051 -5.764 4.243 1.00 0.00 C ATOM 309 CG ASP A 22 -12.943 -6.972 3.310 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.472 -6.859 2.169 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.372 -8.083 3.807 1.00 0.00 O ATOM 0 H ASP A 22 -10.100 -5.853 3.513 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.033 -3.870 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.337 -6.114 5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.856 -5.120 3.888 1.00 0.00 H new ATOM 316 N HIS A 23 -11.769 -4.899 6.780 1.00 0.00 N ATOM 317 CA HIS A 23 -11.252 -5.169 8.110 1.00 0.00 C ATOM 318 C HIS A 23 -10.733 -6.607 8.175 1.00 0.00 C ATOM 319 O HIS A 23 -9.852 -6.917 8.977 1.00 0.00 O ATOM 320 CB HIS A 23 -12.310 -4.872 9.174 1.00 0.00 C ATOM 321 CG HIS A 23 -13.214 -6.041 9.485 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.000 -6.890 10.557 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.336 -6.492 8.855 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.956 -7.808 10.562 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.784 -7.559 9.506 1.00 0.00 N ATOM 0 H HIS A 23 -12.659 -4.401 6.762 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.413 -4.506 8.321 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.810 -4.558 10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.920 -4.033 8.840 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.236 -6.821 11.229 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.785 -6.055 7.975 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.061 -8.612 11.276 1.00 0.00 H new ATOM 332 N HIS A 24 -11.300 -7.447 7.322 1.00 0.00 N ATOM 333 CA HIS A 24 -10.905 -8.845 7.273 1.00 0.00 C ATOM 334 C HIS A 24 -9.548 -8.970 6.577 1.00 0.00 C ATOM 335 O HIS A 24 -8.609 -9.533 7.138 1.00 0.00 O ATOM 336 CB HIS A 24 -11.993 -9.694 6.611 1.00 0.00 C ATOM 337 CG HIS A 24 -13.060 -10.177 7.563 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.382 -9.779 7.472 1.00 0.00 N ATOM 339 CD2 HIS A 24 -12.987 -11.029 8.626 1.00 0.00 C ATOM 340 CE1 HIS A 24 -15.065 -10.371 8.442 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.197 -11.145 9.155 1.00 0.00 N ATOM 0 H HIS A 24 -12.030 -7.187 6.659 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.791 -9.231 8.286 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.464 -9.110 5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.527 -10.557 6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.094 -11.525 8.977 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -16.122 -10.260 8.634 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.439 -11.719 9.963 1.00 0.00 H new ATOM 348 N THR A 25 -9.490 -8.437 5.366 1.00 0.00 N ATOM 349 CA THR A 25 -8.263 -8.483 4.587 1.00 0.00 C ATOM 350 C THR A 25 -7.294 -7.396 5.055 1.00 0.00 C ATOM 351 O THR A 25 -6.079 -7.555 4.951 1.00 0.00 O ATOM 352 CB THR A 25 -8.637 -8.368 3.108 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.649 -6.965 2.861 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.076 -8.807 2.833 1.00 0.00 C ATOM 0 H THR A 25 -10.271 -7.971 4.905 1.00 0.00 H new ATOM 0 HA THR A 25 -7.738 -9.427 4.731 1.00 0.00 H new ATOM 0 HB THR A 25 -7.953 -8.972 2.512 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.488 -6.799 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.290 -8.706 1.769 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.202 -9.848 3.131 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.763 -8.181 3.403 1.00 0.00 H new ATOM 362 N ALA A 26 -7.867 -6.314 5.561 1.00 0.00 N ATOM 363 CA ALA A 26 -7.069 -5.200 6.045 1.00 0.00 C ATOM 364 C ALA A 26 -6.329 -5.623 7.315 1.00 0.00 C ATOM 365 O ALA A 26 -5.394 -4.949 7.746 1.00 0.00 O ATOM 366 CB ALA A 26 -7.973 -3.987 6.274 1.00 0.00 C ATOM 0 H ALA A 26 -8.875 -6.185 5.646 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.320 -4.914 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.375 -3.151 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.454 -3.709 5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.735 -4.236 7.012 1.00 0.00 H new ATOM 372 N GLU A 27 -6.773 -6.738 7.878 1.00 0.00 N ATOM 373 CA GLU A 27 -6.164 -7.259 9.090 1.00 0.00 C ATOM 374 C GLU A 27 -4.828 -7.931 8.766 1.00 0.00 C ATOM 375 O GLU A 27 -3.815 -7.646 9.403 1.00 0.00 O ATOM 376 CB GLU A 27 -7.106 -8.230 9.804 1.00 0.00 C ATOM 377 CG GLU A 27 -7.398 -7.760 11.231 1.00 0.00 C ATOM 378 CD GLU A 27 -7.932 -8.909 12.087 1.00 0.00 C ATOM 379 OE1 GLU A 27 -7.318 -9.986 12.133 1.00 0.00 O ATOM 380 OE2 GLU A 27 -9.027 -8.654 12.721 1.00 0.00 O ATOM 0 H GLU A 27 -7.547 -7.295 7.517 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.975 -6.425 9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.039 -8.314 9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.659 -9.224 9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.489 -7.360 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.126 -6.949 11.209 1.00 0.00 H new ATOM 386 N THR A 28 -4.869 -8.809 7.773 1.00 0.00 N ATOM 387 CA THR A 28 -3.673 -9.522 7.357 1.00 0.00 C ATOM 388 C THR A 28 -2.509 -8.549 7.166 1.00 0.00 C ATOM 389 O THR A 28 -1.391 -8.818 7.604 1.00 0.00 O ATOM 390 CB THR A 28 -4.014 -10.317 6.094 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.535 -11.548 6.589 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.768 -10.731 5.309 1.00 0.00 C ATOM 0 H THR A 28 -5.710 -9.042 7.246 1.00 0.00 H new ATOM 0 HA THR A 28 -3.344 -10.224 8.124 1.00 0.00 H new ATOM 0 HB THR A 28 -4.665 -9.721 5.455 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.784 -12.124 5.836 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.066 -11.292 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.216 -9.841 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.133 -11.356 5.937 1.00 0.00 H new ATOM 400 N LEU A 29 -2.811 -7.437 6.512 1.00 0.00 N ATOM 401 CA LEU A 29 -1.803 -6.420 6.258 1.00 0.00 C ATOM 402 C LEU A 29 -1.456 -5.713 7.569 1.00 0.00 C ATOM 403 O LEU A 29 -0.358 -5.180 7.719 1.00 0.00 O ATOM 404 CB LEU A 29 -2.267 -5.471 5.151 1.00 0.00 C ATOM 405 CG LEU A 29 -1.307 -4.333 4.799 1.00 0.00 C ATOM 406 CD1 LEU A 29 -1.487 -3.151 5.754 1.00 0.00 C ATOM 407 CD2 LEU A 29 0.141 -4.826 4.763 1.00 0.00 C ATOM 0 H LEU A 29 -3.739 -7.217 6.150 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.885 -6.877 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.451 -6.057 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.221 -5.036 5.448 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.550 -3.979 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.793 -2.355 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.510 -2.780 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.286 -3.475 6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.802 -3.997 4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.415 -5.223 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.240 -5.610 4.012 1.00 0.00 H new ATOM 418 N LYS A 30 -2.413 -5.732 8.485 1.00 0.00 N ATOM 419 CA LYS A 30 -2.223 -5.098 9.779 1.00 0.00 C ATOM 420 C LYS A 30 -0.919 -5.603 10.402 1.00 0.00 C ATOM 421 O LYS A 30 -0.140 -4.818 10.940 1.00 0.00 O ATOM 422 CB LYS A 30 -3.450 -5.312 10.667 1.00 0.00 C ATOM 423 CG LYS A 30 -3.706 -4.091 11.553 1.00 0.00 C ATOM 424 CD LYS A 30 -2.799 -4.108 12.785 1.00 0.00 C ATOM 425 CE LYS A 30 -2.977 -5.404 13.578 1.00 0.00 C ATOM 426 NZ LYS A 30 -2.996 -5.123 15.032 1.00 0.00 N ATOM 0 H LYS A 30 -3.322 -6.176 8.357 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.126 -4.018 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.324 -5.504 10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.303 -6.194 11.291 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.532 -3.179 10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.750 -4.077 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.759 -4.006 12.477 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.028 -3.253 13.422 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.906 -5.893 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.166 -6.094 13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.118 -6.013 15.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.099 -4.677 15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.785 -4.482 15.251 1.00 0.00 H new ATOM 435 N GLN A 31 -0.721 -6.909 10.307 1.00 0.00 N ATOM 436 CA GLN A 31 0.474 -7.527 10.854 1.00 0.00 C ATOM 437 C GLN A 31 1.675 -7.257 9.945 1.00 0.00 C ATOM 438 O GLN A 31 2.799 -7.107 10.423 1.00 0.00 O ATOM 439 CB GLN A 31 0.271 -9.029 11.059 1.00 0.00 C ATOM 440 CG GLN A 31 0.500 -9.797 9.756 1.00 0.00 C ATOM 441 CD GLN A 31 -0.400 -11.032 9.681 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.051 -12.151 9.497 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.695 -10.768 9.833 1.00 0.00 N ATOM 0 H GLN A 31 -1.369 -7.557 9.859 1.00 0.00 H new ATOM 0 HA GLN A 31 0.673 -7.084 11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.958 -9.391 11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.739 -9.217 11.423 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.300 -9.145 8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.545 -10.100 9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.006 -9.808 9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.377 -11.525 9.799 1.00 0.00 H new ATOM 450 N LYS A 32 1.397 -7.200 8.651 1.00 0.00 N ATOM 451 CA LYS A 32 2.440 -6.950 7.671 1.00 0.00 C ATOM 452 C LYS A 32 2.917 -5.501 7.800 1.00 0.00 C ATOM 453 O LYS A 32 3.899 -5.109 7.171 1.00 0.00 O ATOM 454 CB LYS A 32 1.955 -7.315 6.267 1.00 0.00 C ATOM 455 CG LYS A 32 3.097 -7.227 5.252 1.00 0.00 C ATOM 456 CD LYS A 32 4.202 -8.232 5.581 1.00 0.00 C ATOM 457 CE LYS A 32 4.445 -9.183 4.407 1.00 0.00 C ATOM 458 NZ LYS A 32 4.916 -10.499 4.893 1.00 0.00 N ATOM 0 H LYS A 32 0.464 -7.323 8.258 1.00 0.00 H new ATOM 0 HA LYS A 32 3.303 -7.589 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.545 -8.325 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.148 -6.644 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.713 -7.418 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.508 -6.217 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.123 -7.700 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.926 -8.805 6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.525 -9.308 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.184 -8.753 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.076 -11.131 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.806 -10.377 5.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.198 -10.915 5.520 1.00 0.00 H new ATOM 467 N VAL A 33 2.200 -4.746 8.618 1.00 0.00 N ATOM 468 CA VAL A 33 2.538 -3.350 8.837 1.00 0.00 C ATOM 469 C VAL A 33 3.593 -3.252 9.940 1.00 0.00 C ATOM 470 O VAL A 33 4.626 -2.607 9.759 1.00 0.00 O ATOM 471 CB VAL A 33 1.272 -2.547 9.149 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.604 -1.076 9.406 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.243 -2.690 8.024 1.00 0.00 C ATOM 0 H VAL A 33 1.386 -5.074 9.138 1.00 0.00 H new ATOM 0 HA VAL A 33 2.969 -2.916 7.935 1.00 0.00 H new ATOM 0 HB VAL A 33 0.832 -2.954 10.060 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.687 -0.529 9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.284 -0.999 10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.078 -0.650 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.647 -2.111 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.670 -2.322 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.028 -3.740 7.910 1.00 0.00 H new ATOM 483 N THR A 34 3.299 -3.901 11.056 1.00 0.00 N ATOM 484 CA THR A 34 4.211 -3.895 12.187 1.00 0.00 C ATOM 485 C THR A 34 5.605 -4.346 11.751 1.00 0.00 C ATOM 486 O THR A 34 6.610 -3.791 12.196 1.00 0.00 O ATOM 487 CB THR A 34 3.606 -4.770 13.287 1.00 0.00 C ATOM 488 OG1 THR A 34 4.710 -5.079 14.133 1.00 0.00 O ATOM 489 CG2 THR A 34 3.145 -6.132 12.765 1.00 0.00 C ATOM 0 H THR A 34 2.442 -4.435 11.202 1.00 0.00 H new ATOM 0 HA THR A 34 4.339 -2.889 12.585 1.00 0.00 H new ATOM 0 HB THR A 34 2.762 -4.250 13.740 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.406 -5.643 14.875 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.724 -6.713 13.586 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.387 -5.989 11.995 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.996 -6.666 12.341 1.00 0.00 H new ATOM 497 N GLN A 35 5.624 -5.350 10.886 1.00 0.00 N ATOM 498 CA GLN A 35 6.880 -5.882 10.385 1.00 0.00 C ATOM 499 C GLN A 35 7.655 -4.798 9.636 1.00 0.00 C ATOM 500 O GLN A 35 8.859 -4.640 9.834 1.00 0.00 O ATOM 501 CB GLN A 35 6.641 -7.102 9.492 1.00 0.00 C ATOM 502 CG GLN A 35 5.855 -6.715 8.236 1.00 0.00 C ATOM 503 CD GLN A 35 6.794 -6.229 7.131 1.00 0.00 C ATOM 504 OE1 GLN A 35 8.006 -6.340 7.216 1.00 0.00 O ATOM 505 NE2 GLN A 35 6.168 -5.685 6.090 1.00 0.00 N ATOM 0 H GLN A 35 4.790 -5.809 10.520 1.00 0.00 H new ATOM 0 HA GLN A 35 7.479 -6.207 11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.597 -7.541 9.207 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.094 -7.863 10.048 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.283 -7.573 7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.137 -5.932 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.150 -5.623 6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.706 -5.330 5.300 1.00 0.00 H new ATOM 512 N SER A 36 6.934 -4.076 8.790 1.00 0.00 N ATOM 513 CA SER A 36 7.539 -3.011 8.009 1.00 0.00 C ATOM 514 C SER A 36 7.718 -1.764 8.877 1.00 0.00 C ATOM 515 O SER A 36 8.574 -0.925 8.599 1.00 0.00 O ATOM 516 CB SER A 36 6.694 -2.683 6.777 1.00 0.00 C ATOM 517 OG SER A 36 7.494 -2.528 5.608 1.00 0.00 O ATOM 0 H SER A 36 5.936 -4.208 8.629 1.00 0.00 H new ATOM 0 HA SER A 36 8.516 -3.351 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.965 -3.477 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.132 -1.766 6.956 1.00 0.00 H new ATOM 0 HG SER A 36 6.918 -2.321 4.843 1.00 0.00 H new ATOM 522 N LEU A 37 6.896 -1.680 9.914 1.00 0.00 N ATOM 523 CA LEU A 37 6.953 -0.549 10.825 1.00 0.00 C ATOM 524 C LEU A 37 8.399 -0.339 11.280 1.00 0.00 C ATOM 525 O LEU A 37 8.836 0.796 11.462 1.00 0.00 O ATOM 526 CB LEU A 37 5.967 -0.741 11.979 1.00 0.00 C ATOM 527 CG LEU A 37 4.696 0.108 11.924 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.304 0.415 10.477 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.556 -0.560 12.696 1.00 0.00 C ATOM 0 H LEU A 37 6.187 -2.377 10.143 1.00 0.00 H new ATOM 0 HA LEU A 37 6.642 0.365 10.319 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.677 -1.791 12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.485 -0.524 12.913 1.00 0.00 H new ATOM 0 HG LEU A 37 4.901 1.061 12.412 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.397 1.020 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.111 0.962 9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.124 -0.518 9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.664 0.064 12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.343 -1.536 12.259 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.847 -0.685 13.739 1.00 0.00 H new ATOM 540 N GLU A 38 9.100 -1.450 11.450 1.00 0.00 N ATOM 541 CA GLU A 38 10.488 -1.401 11.879 1.00 0.00 C ATOM 542 C GLU A 38 11.187 -2.725 11.567 1.00 0.00 C ATOM 543 O GLU A 38 11.453 -3.519 12.467 1.00 0.00 O ATOM 544 CB GLU A 38 10.588 -1.066 13.369 1.00 0.00 C ATOM 545 CG GLU A 38 10.150 0.374 13.638 1.00 0.00 C ATOM 546 CD GLU A 38 10.664 0.859 14.996 1.00 0.00 C ATOM 547 OE1 GLU A 38 10.523 0.149 16.001 1.00 0.00 O ATOM 548 OE2 GLU A 38 11.227 2.020 14.983 1.00 0.00 O ATOM 0 H GLU A 38 8.733 -2.390 11.299 1.00 0.00 H new ATOM 0 HA GLU A 38 10.992 -0.608 11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.965 -1.752 13.942 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.614 -1.207 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.526 1.026 12.849 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.062 0.438 13.613 1.00 0.00 H new ATOM 554 N LYS A 39 11.466 -2.923 10.286 1.00 0.00 N ATOM 555 CA LYS A 39 12.129 -4.137 9.843 1.00 0.00 C ATOM 556 C LYS A 39 13.594 -4.104 10.288 1.00 0.00 C ATOM 557 O LYS A 39 14.110 -5.094 10.805 1.00 0.00 O ATOM 558 CB LYS A 39 11.950 -4.326 8.336 1.00 0.00 C ATOM 559 CG LYS A 39 12.434 -5.709 7.895 1.00 0.00 C ATOM 560 CD LYS A 39 11.288 -6.723 7.913 1.00 0.00 C ATOM 561 CE LYS A 39 11.459 -7.722 9.059 1.00 0.00 C ATOM 562 NZ LYS A 39 10.945 -9.053 8.665 1.00 0.00 N ATOM 0 H LYS A 39 11.244 -2.262 9.541 1.00 0.00 H new ATOM 0 HA LYS A 39 11.673 -5.011 10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.899 -4.204 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.504 -3.555 7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.854 -5.648 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.233 -6.046 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.337 -6.201 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.254 -7.256 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.512 -7.798 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.928 -7.367 9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.068 -9.720 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.935 -8.979 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.470 -9.396 7.836 1.00 0.00 H new ATOM 571 N ASP A 40 14.219 -2.956 10.073 1.00 0.00 N ATOM 572 CA ASP A 40 15.613 -2.783 10.445 1.00 0.00 C ATOM 573 C ASP A 40 16.081 -1.390 10.017 1.00 0.00 C ATOM 574 O ASP A 40 15.879 -0.414 10.738 1.00 0.00 O ATOM 575 CB ASP A 40 16.501 -3.815 9.751 1.00 0.00 C ATOM 576 CG ASP A 40 16.645 -5.147 10.490 1.00 0.00 C ATOM 577 OD1 ASP A 40 17.032 -5.186 11.667 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.335 -6.191 9.798 1.00 0.00 O ATOM 0 H ASP A 40 13.786 -2.137 9.646 1.00 0.00 H new ATOM 0 HA ASP A 40 15.692 -2.909 11.525 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.097 -4.010 8.758 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.493 -3.384 9.613 1.00 0.00 H new ATOM 583 N ASP A 41 16.696 -1.343 8.844 1.00 0.00 N ATOM 584 CA ASP A 41 17.194 -0.087 8.311 1.00 0.00 C ATOM 585 C ASP A 41 16.034 0.694 7.689 1.00 0.00 C ATOM 586 O ASP A 41 14.916 0.664 8.201 1.00 0.00 O ATOM 587 CB ASP A 41 18.240 -0.328 7.220 1.00 0.00 C ATOM 588 CG ASP A 41 19.279 0.784 7.064 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.939 1.182 8.035 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.400 1.254 5.868 1.00 0.00 O ATOM 0 H ASP A 41 16.860 -2.154 8.248 1.00 0.00 H new ATOM 0 HA ASP A 41 17.648 0.470 9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.759 -1.262 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.726 -0.461 6.268 1.00 0.00 H new ATOM 595 N ILE A 42 16.340 1.374 6.594 1.00 0.00 N ATOM 596 CA ILE A 42 15.338 2.162 5.897 1.00 0.00 C ATOM 597 C ILE A 42 15.007 1.493 4.562 1.00 0.00 C ATOM 598 O ILE A 42 15.680 1.732 3.560 1.00 0.00 O ATOM 599 CB ILE A 42 15.797 3.615 5.760 1.00 0.00 C ATOM 600 CG1 ILE A 42 14.958 4.541 6.644 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.788 4.057 4.296 1.00 0.00 C ATOM 602 CD1 ILE A 42 14.629 3.873 7.980 1.00 0.00 C ATOM 0 H ILE A 42 17.268 1.396 6.172 1.00 0.00 H new ATOM 0 HA ILE A 42 14.414 2.198 6.474 1.00 0.00 H new ATOM 0 HB ILE A 42 16.827 3.682 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.500 5.470 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.035 4.804 6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.118 5.093 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.461 3.422 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.778 3.971 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 42 14.032 4.552 8.589 1.00 0.00 H new ATOM 0 HD12 ILE A 42 14.066 2.957 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 42 15.554 3.633 8.504 1.00 0.00 H new ATOM 613 N ARG A 43 13.970 0.668 4.590 1.00 0.00 N ATOM 614 CA ARG A 43 13.543 -0.038 3.394 1.00 0.00 C ATOM 615 C ARG A 43 12.618 0.848 2.558 1.00 0.00 C ATOM 616 O ARG A 43 12.526 2.052 2.792 1.00 0.00 O ATOM 617 CB ARG A 43 12.811 -1.333 3.750 1.00 0.00 C ATOM 618 CG ARG A 43 13.803 -2.468 4.016 1.00 0.00 C ATOM 619 CD ARG A 43 13.657 -3.580 2.976 1.00 0.00 C ATOM 620 NE ARG A 43 13.812 -4.902 3.622 1.00 0.00 N ATOM 621 CZ ARG A 43 14.963 -5.346 4.169 1.00 0.00 C ATOM 622 NH1 ARG A 43 16.072 -4.577 4.152 1.00 0.00 N ATOM 623 NH2 ARG A 43 14.988 -6.546 4.721 1.00 0.00 N ATOM 0 H ARG A 43 13.413 0.473 5.422 1.00 0.00 H new ATOM 0 HA ARG A 43 14.435 -0.285 2.818 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.190 -1.174 4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.142 -1.613 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.821 -2.078 3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.637 -2.874 5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.681 -3.513 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.407 -3.458 2.194 1.00 0.00 H new ATOM 0 HE ARG A 43 12.998 -5.516 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.045 -3.652 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.938 -4.921 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.146 -7.121 4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.850 -6.897 5.139 1.00 0.00 H new ATOM 633 N HIS A 44 11.956 0.219 1.599 1.00 0.00 N ATOM 634 CA HIS A 44 11.041 0.934 0.725 1.00 0.00 C ATOM 635 C HIS A 44 9.729 0.158 0.608 1.00 0.00 C ATOM 636 O HIS A 44 9.698 -1.053 0.826 1.00 0.00 O ATOM 637 CB HIS A 44 11.691 1.211 -0.633 1.00 0.00 C ATOM 638 CG HIS A 44 12.779 2.257 -0.592 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.691 3.399 0.185 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.978 2.323 -1.239 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.793 4.112 0.006 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.589 3.443 -0.878 1.00 0.00 N ATOM 0 H HIS A 44 12.035 -0.780 1.407 1.00 0.00 H new ATOM 0 HA HIS A 44 10.808 1.908 1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.109 0.282 -1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.920 1.531 -1.335 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.910 3.649 0.792 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.364 1.587 -1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 44 14.021 5.057 0.477 1.00 0.00 H new ATOM 649 N ILE A 45 8.677 0.884 0.263 1.00 0.00 N ATOM 650 CA ILE A 45 7.365 0.278 0.114 1.00 0.00 C ATOM 651 C ILE A 45 7.041 0.132 -1.374 1.00 0.00 C ATOM 652 O ILE A 45 7.581 0.861 -2.205 1.00 0.00 O ATOM 653 CB ILE A 45 6.315 1.072 0.895 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.567 2.043 -0.021 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.948 1.786 2.092 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.526 2.719 -1.004 1.00 0.00 C ATOM 0 H ILE A 45 8.706 1.887 0.082 1.00 0.00 H new ATOM 0 HA ILE A 45 7.359 -0.724 0.543 1.00 0.00 H new ATOM 0 HB ILE A 45 5.579 0.371 1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.794 1.507 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.063 2.800 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.181 2.343 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.397 1.050 2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.717 2.474 1.740 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.969 3.404 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.283 3.274 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.010 1.961 -1.620 1.00 0.00 H new ATOM 667 N VAL A 46 6.162 -0.816 -1.666 1.00 0.00 N ATOM 668 CA VAL A 46 5.761 -1.068 -3.040 1.00 0.00 C ATOM 669 C VAL A 46 4.416 -1.797 -3.048 1.00 0.00 C ATOM 670 O VAL A 46 4.372 -3.024 -3.119 1.00 0.00 O ATOM 671 CB VAL A 46 6.862 -1.835 -3.773 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.265 -2.836 -4.765 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.824 -0.876 -4.476 1.00 0.00 C ATOM 0 H VAL A 46 5.716 -1.419 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 46 5.625 -0.130 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 46 7.430 -2.396 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.069 -3.368 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.639 -3.550 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.661 -2.304 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.597 -1.448 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.274 -0.276 -5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.287 -0.220 -3.739 1.00 0.00 H new ATOM 683 N LEU A 47 3.352 -1.011 -2.973 1.00 0.00 N ATOM 684 CA LEU A 47 2.009 -1.567 -2.971 1.00 0.00 C ATOM 685 C LEU A 47 1.575 -1.844 -4.412 1.00 0.00 C ATOM 686 O LEU A 47 2.041 -1.189 -5.342 1.00 0.00 O ATOM 687 CB LEU A 47 1.051 -0.651 -2.205 1.00 0.00 C ATOM 688 CG LEU A 47 0.839 -0.989 -0.728 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.011 -1.804 -0.178 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.587 0.279 0.092 1.00 0.00 C ATOM 0 H LEU A 47 3.392 0.006 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 47 1.992 -2.521 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.424 0.371 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.083 -0.671 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.052 -1.611 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.835 -2.031 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.103 -2.734 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.932 -1.229 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.439 0.012 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.445 0.945 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.303 0.784 -0.283 1.00 0.00 H new ATOM 701 N ASN A 48 0.687 -2.818 -4.551 1.00 0.00 N ATOM 702 CA ASN A 48 0.185 -3.191 -5.862 1.00 0.00 C ATOM 703 C ASN A 48 -0.907 -4.251 -5.703 1.00 0.00 C ATOM 704 O ASN A 48 -0.618 -5.400 -5.375 1.00 0.00 O ATOM 705 CB ASN A 48 1.296 -3.783 -6.730 1.00 0.00 C ATOM 706 CG ASN A 48 2.670 -3.544 -6.100 1.00 0.00 C ATOM 707 OD1 ASN A 48 3.505 -2.827 -6.625 1.00 0.00 O ATOM 708 ND2 ASN A 48 2.856 -4.183 -4.949 1.00 0.00 N ATOM 0 H ASN A 48 0.303 -3.360 -3.777 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.206 -2.293 -6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.132 -4.853 -6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.264 -3.335 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.741 -4.088 -4.450 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.114 -4.768 -4.565 1.00 0.00 H new ATOM 714 N LEU A 49 -2.139 -3.826 -5.943 1.00 0.00 N ATOM 715 CA LEU A 49 -3.276 -4.726 -5.830 1.00 0.00 C ATOM 716 C LEU A 49 -3.769 -5.094 -7.231 1.00 0.00 C ATOM 717 O LEU A 49 -4.109 -4.219 -8.024 1.00 0.00 O ATOM 718 CB LEU A 49 -4.358 -4.111 -4.939 1.00 0.00 C ATOM 719 CG LEU A 49 -4.485 -4.703 -3.534 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.464 -3.602 -2.472 1.00 0.00 C ATOM 721 CD2 LEU A 49 -5.729 -5.586 -3.421 1.00 0.00 C ATOM 0 H LEU A 49 -2.375 -2.872 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.982 -5.654 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.160 -3.043 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.319 -4.214 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.621 -5.342 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.556 -4.049 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.525 -3.052 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.296 -2.919 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.795 -5.994 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.618 -4.991 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.662 -6.403 -4.139 1.00 0.00 H new ATOM 732 N GLU A 50 -3.793 -6.394 -7.492 1.00 0.00 N ATOM 733 CA GLU A 50 -4.238 -6.890 -8.782 1.00 0.00 C ATOM 734 C GLU A 50 -5.710 -7.302 -8.713 1.00 0.00 C ATOM 735 O GLU A 50 -6.391 -7.364 -9.735 1.00 0.00 O ATOM 736 CB GLU A 50 -3.365 -8.054 -9.253 1.00 0.00 C ATOM 737 CG GLU A 50 -2.759 -7.764 -10.628 1.00 0.00 C ATOM 738 CD GLU A 50 -3.595 -8.399 -11.741 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.172 -9.399 -12.341 1.00 0.00 O ATOM 740 OE2 GLU A 50 -4.724 -7.820 -11.974 1.00 0.00 O ATOM 0 H GLU A 50 -3.511 -7.118 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.139 -6.086 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.568 -8.231 -8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.962 -8.965 -9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.699 -6.687 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.740 -8.149 -10.669 1.00 0.00 H new ATOM 746 N ASP A 51 -6.159 -7.574 -7.496 1.00 0.00 N ATOM 747 CA ASP A 51 -7.538 -7.978 -7.279 1.00 0.00 C ATOM 748 C ASP A 51 -8.213 -6.985 -6.331 1.00 0.00 C ATOM 749 O ASP A 51 -8.578 -7.340 -5.211 1.00 0.00 O ATOM 750 CB ASP A 51 -7.610 -9.366 -6.640 1.00 0.00 C ATOM 751 CG ASP A 51 -9.015 -9.821 -6.240 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.212 -10.953 -5.775 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.945 -8.945 -6.424 1.00 0.00 O ATOM 0 H ASP A 51 -5.592 -7.522 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.040 -7.999 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.194 -10.093 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.975 -9.375 -5.754 1.00 0.00 H new ATOM 758 N LEU A 52 -8.360 -5.761 -6.814 1.00 0.00 N ATOM 759 CA LEU A 52 -8.985 -4.713 -6.024 1.00 0.00 C ATOM 760 C LEU A 52 -10.445 -4.558 -6.456 1.00 0.00 C ATOM 761 O LEU A 52 -10.727 -3.994 -7.512 1.00 0.00 O ATOM 762 CB LEU A 52 -8.175 -3.419 -6.113 1.00 0.00 C ATOM 763 CG LEU A 52 -8.350 -2.437 -4.953 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.796 -2.429 -4.454 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.357 -2.736 -3.828 1.00 0.00 C ATOM 0 H LEU A 52 -8.057 -5.470 -7.744 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.992 -4.984 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.119 -3.679 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.443 -2.909 -7.038 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.131 -1.434 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.892 -1.723 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.460 -2.132 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.068 -3.427 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.502 -2.024 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.521 -3.748 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.339 -2.650 -4.209 1.00 0.00 H new ATOM 776 N SER A 53 -11.334 -5.067 -5.617 1.00 0.00 N ATOM 777 CA SER A 53 -12.758 -4.991 -5.899 1.00 0.00 C ATOM 778 C SER A 53 -13.486 -4.312 -4.737 1.00 0.00 C ATOM 779 O SER A 53 -13.688 -3.098 -4.751 1.00 0.00 O ATOM 780 CB SER A 53 -13.344 -6.382 -6.151 1.00 0.00 C ATOM 781 OG SER A 53 -14.767 -6.354 -6.236 1.00 0.00 O ATOM 0 H SER A 53 -11.097 -5.534 -4.742 1.00 0.00 H new ATOM 0 HA SER A 53 -12.897 -4.398 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.933 -6.786 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.042 -7.054 -5.348 1.00 0.00 H new ATOM 0 HG SER A 53 -15.103 -7.260 -6.399 1.00 0.00 H new ATOM 786 N PHE A 54 -13.860 -5.124 -3.759 1.00 0.00 N ATOM 787 CA PHE A 54 -14.562 -4.615 -2.592 1.00 0.00 C ATOM 788 C PHE A 54 -13.882 -3.358 -2.049 1.00 0.00 C ATOM 789 O PHE A 54 -14.401 -2.253 -2.199 1.00 0.00 O ATOM 790 CB PHE A 54 -14.508 -5.711 -1.526 1.00 0.00 C ATOM 791 CG PHE A 54 -15.077 -5.289 -0.171 1.00 0.00 C ATOM 792 CD1 PHE A 54 -15.825 -4.157 -0.070 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.836 -6.045 0.934 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.353 -3.765 1.189 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.364 -5.653 2.192 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.112 -4.521 2.293 1.00 0.00 C ATOM 0 H PHE A 54 -13.691 -6.130 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.587 -4.355 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.059 -6.580 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.472 -6.023 -1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.017 -3.557 -0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.243 -6.944 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.946 -2.866 1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.172 -6.253 3.069 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.514 -4.223 3.250 1.00 0.00 H new ATOM 805 N MET A 55 -12.730 -3.568 -1.428 1.00 0.00 N ATOM 806 CA MET A 55 -11.973 -2.465 -0.861 1.00 0.00 C ATOM 807 C MET A 55 -12.907 -1.394 -0.293 1.00 0.00 C ATOM 808 O MET A 55 -13.264 -0.445 -0.988 1.00 0.00 O ATOM 809 CB MET A 55 -11.085 -1.845 -1.942 1.00 0.00 C ATOM 810 CG MET A 55 -10.894 -0.346 -1.703 1.00 0.00 C ATOM 811 SD MET A 55 -11.629 0.584 -3.037 1.00 0.00 S ATOM 812 CE MET A 55 -13.046 -0.445 -3.388 1.00 0.00 C ATOM 0 H MET A 55 -12.303 -4.486 -1.305 1.00 0.00 H new ATOM 0 HA MET A 55 -11.357 -2.852 -0.049 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.115 -2.342 -1.950 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.533 -2.006 -2.922 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.350 -0.060 -0.755 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.832 -0.114 -1.629 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.413 -0.229 -4.391 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.758 -1.494 -3.326 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.833 -0.241 -2.662 1.00 0.00 H new ATOM 820 N ASP A 56 -13.275 -1.583 0.966 1.00 0.00 N ATOM 821 CA ASP A 56 -14.160 -0.646 1.636 1.00 0.00 C ATOM 822 C ASP A 56 -13.324 0.381 2.402 1.00 0.00 C ATOM 823 O ASP A 56 -12.173 0.636 2.050 1.00 0.00 O ATOM 824 CB ASP A 56 -15.064 -1.363 2.641 1.00 0.00 C ATOM 825 CG ASP A 56 -16.432 -0.714 2.859 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.736 -0.218 3.953 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.213 -0.730 1.832 1.00 0.00 O ATOM 0 H ASP A 56 -12.976 -2.372 1.540 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.776 -0.164 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.215 -2.388 2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.547 -1.415 3.599 1.00 0.00 H new ATOM 832 N SER A 57 -13.934 0.940 3.436 1.00 0.00 N ATOM 833 CA SER A 57 -13.260 1.934 4.255 1.00 0.00 C ATOM 834 C SER A 57 -12.578 1.255 5.445 1.00 0.00 C ATOM 835 O SER A 57 -12.237 1.913 6.427 1.00 0.00 O ATOM 836 CB SER A 57 -14.240 3.002 4.744 1.00 0.00 C ATOM 837 OG SER A 57 -15.506 2.447 5.088 1.00 0.00 O ATOM 0 H SER A 57 -14.888 0.724 3.726 1.00 0.00 H new ATOM 0 HA SER A 57 -12.505 2.426 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.819 3.510 5.612 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.373 3.755 3.967 1.00 0.00 H new ATOM 0 HG SER A 57 -16.103 3.160 5.397 1.00 0.00 H new ATOM 842 N SER A 58 -12.400 -0.052 5.318 1.00 0.00 N ATOM 843 CA SER A 58 -11.765 -0.827 6.369 1.00 0.00 C ATOM 844 C SER A 58 -10.243 -0.702 6.266 1.00 0.00 C ATOM 845 O SER A 58 -9.594 -0.194 7.178 1.00 0.00 O ATOM 846 CB SER A 58 -12.184 -2.297 6.301 1.00 0.00 C ATOM 847 OG SER A 58 -13.361 -2.480 5.519 1.00 0.00 O ATOM 0 H SER A 58 -12.685 -0.594 4.502 1.00 0.00 H new ATOM 0 HA SER A 58 -12.091 -0.430 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.371 -2.887 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.357 -2.672 7.310 1.00 0.00 H new ATOM 0 HG SER A 58 -14.006 -3.021 6.020 1.00 0.00 H new ATOM 852 N GLY A 59 -9.718 -1.177 5.145 1.00 0.00 N ATOM 853 CA GLY A 59 -8.286 -1.126 4.909 1.00 0.00 C ATOM 854 C GLY A 59 -7.830 0.302 4.607 1.00 0.00 C ATOM 855 O GLY A 59 -6.641 0.608 4.685 1.00 0.00 O ATOM 0 H GLY A 59 -10.260 -1.599 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.756 -1.503 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.028 -1.778 4.074 1.00 0.00 H new ATOM 859 N LEU A 60 -8.800 1.139 4.267 1.00 0.00 N ATOM 860 CA LEU A 60 -8.514 2.528 3.952 1.00 0.00 C ATOM 861 C LEU A 60 -7.668 3.137 5.072 1.00 0.00 C ATOM 862 O LEU A 60 -6.697 3.843 4.807 1.00 0.00 O ATOM 863 CB LEU A 60 -9.810 3.293 3.676 1.00 0.00 C ATOM 864 CG LEU A 60 -9.798 4.213 2.453 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.034 5.505 2.746 1.00 0.00 C ATOM 866 CD2 LEU A 60 -9.246 3.484 1.225 1.00 0.00 C ATOM 0 H LEU A 60 -9.785 0.881 4.203 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.928 2.597 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.617 2.570 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.049 3.892 4.555 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.826 4.493 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.041 6.141 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.511 6.030 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.005 5.266 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.248 4.159 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.226 3.155 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.870 2.618 1.005 1.00 0.00 H new ATOM 877 N GLY A 61 -8.067 2.841 6.300 1.00 0.00 N ATOM 878 CA GLY A 61 -7.358 3.350 7.461 1.00 0.00 C ATOM 879 C GLY A 61 -6.109 2.514 7.751 1.00 0.00 C ATOM 880 O GLY A 61 -5.106 3.037 8.233 1.00 0.00 O ATOM 0 H GLY A 61 -8.873 2.255 6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.074 4.388 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.018 3.338 8.329 1.00 0.00 H new ATOM 884 N VAL A 62 -6.213 1.229 7.444 1.00 0.00 N ATOM 885 CA VAL A 62 -5.104 0.316 7.666 1.00 0.00 C ATOM 886 C VAL A 62 -3.947 0.690 6.737 1.00 0.00 C ATOM 887 O VAL A 62 -2.791 0.386 7.026 1.00 0.00 O ATOM 888 CB VAL A 62 -5.573 -1.129 7.484 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.005 -1.732 6.198 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.203 -1.982 8.700 1.00 0.00 C ATOM 0 H VAL A 62 -7.047 0.799 7.044 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.739 0.400 8.690 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.660 -1.121 7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.354 -2.759 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.340 -1.146 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.916 -1.721 6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.547 -3.005 8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.121 -1.979 8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.677 -1.570 9.591 1.00 0.00 H new ATOM 900 N ILE A 63 -4.298 1.345 5.641 1.00 0.00 N ATOM 901 CA ILE A 63 -3.304 1.764 4.668 1.00 0.00 C ATOM 902 C ILE A 63 -2.789 3.156 5.039 1.00 0.00 C ATOM 903 O ILE A 63 -1.611 3.456 4.850 1.00 0.00 O ATOM 904 CB ILE A 63 -3.872 1.677 3.250 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.666 0.279 2.662 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.280 2.767 2.354 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.006 -0.432 2.459 1.00 0.00 C ATOM 0 H ILE A 63 -5.258 1.596 5.405 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.447 1.091 4.685 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.947 1.851 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.142 0.355 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.034 -0.310 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.701 2.682 1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.520 3.747 2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.198 2.649 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.832 -1.423 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.516 -0.527 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.625 0.148 1.774 1.00 0.00 H new ATOM 918 N LEU A 64 -3.695 3.969 5.561 1.00 0.00 N ATOM 919 CA LEU A 64 -3.347 5.321 5.961 1.00 0.00 C ATOM 920 C LEU A 64 -2.392 5.266 7.155 1.00 0.00 C ATOM 921 O LEU A 64 -1.409 6.004 7.202 1.00 0.00 O ATOM 922 CB LEU A 64 -4.610 6.145 6.221 1.00 0.00 C ATOM 923 CG LEU A 64 -4.582 7.591 5.722 1.00 0.00 C ATOM 924 CD1 LEU A 64 -4.757 7.651 4.203 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.623 8.443 6.452 1.00 0.00 C ATOM 0 H LEU A 64 -4.671 3.717 5.716 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.821 5.833 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.454 5.637 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.798 6.156 7.295 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.603 8.012 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.733 8.690 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.949 7.100 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.713 7.206 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.582 9.466 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.617 8.032 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.412 8.438 7.521 1.00 0.00 H new ATOM 936 N GLY A 65 -2.715 4.384 8.090 1.00 0.00 N ATOM 937 CA GLY A 65 -1.898 4.222 9.280 1.00 0.00 C ATOM 938 C GLY A 65 -0.450 3.892 8.911 1.00 0.00 C ATOM 939 O GLY A 65 0.460 4.095 9.713 1.00 0.00 O ATOM 0 H GLY A 65 -3.532 3.774 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.927 5.137 9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.309 3.427 9.902 1.00 0.00 H new ATOM 943 N ARG A 66 -0.283 3.389 7.696 1.00 0.00 N ATOM 944 CA ARG A 66 1.038 3.029 7.211 1.00 0.00 C ATOM 945 C ARG A 66 1.683 4.217 6.494 1.00 0.00 C ATOM 946 O ARG A 66 2.842 4.545 6.746 1.00 0.00 O ATOM 947 CB ARG A 66 0.967 1.841 6.251 1.00 0.00 C ATOM 948 CG ARG A 66 1.681 0.620 6.835 1.00 0.00 C ATOM 949 CD ARG A 66 2.328 -0.218 5.731 1.00 0.00 C ATOM 950 NE ARG A 66 1.286 -0.780 4.844 1.00 0.00 N ATOM 951 CZ ARG A 66 1.539 -1.605 3.806 1.00 0.00 C ATOM 952 NH1 ARG A 66 2.806 -1.972 3.515 1.00 0.00 N ATOM 953 NH2 ARG A 66 0.530 -2.047 3.079 1.00 0.00 N ATOM 0 H ARG A 66 -1.041 3.223 7.034 1.00 0.00 H new ATOM 0 HA ARG A 66 1.643 2.749 8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.075 1.595 6.048 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.422 2.111 5.298 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.443 0.945 7.544 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.969 0.009 7.390 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.016 0.398 5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.915 -1.024 6.172 1.00 0.00 H new ATOM 0 HE ARG A 66 0.315 -0.528 5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.580 -1.625 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.988 -2.596 2.729 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.424 -1.764 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.704 -2.671 2.291 1.00 0.00 H new ATOM 963 N TYR A 67 0.903 4.832 5.616 1.00 0.00 N ATOM 964 CA TYR A 67 1.384 5.977 4.861 1.00 0.00 C ATOM 965 C TYR A 67 2.214 6.908 5.746 1.00 0.00 C ATOM 966 O TYR A 67 3.088 7.621 5.256 1.00 0.00 O ATOM 967 CB TYR A 67 0.135 6.723 4.387 1.00 0.00 C ATOM 968 CG TYR A 67 0.303 7.422 3.037 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.763 8.722 2.985 1.00 0.00 C ATOM 970 CD2 TYR A 67 -0.004 6.752 1.870 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.921 9.380 1.715 1.00 0.00 C ATOM 972 CE2 TYR A 67 0.155 7.411 0.599 1.00 0.00 C ATOM 973 CZ TYR A 67 0.610 8.692 0.584 1.00 0.00 C ATOM 974 OH TYR A 67 0.759 9.313 -0.616 1.00 0.00 O ATOM 0 H TYR A 67 -0.058 4.559 5.411 1.00 0.00 H new ATOM 0 HA TYR A 67 2.017 5.654 4.035 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.693 6.018 4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.139 7.465 5.137 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.005 9.246 3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.363 5.734 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.279 10.398 1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.082 6.899 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 67 1.511 8.913 -1.100 1.00 0.00 H new ATOM 983 N LYS A 68 1.913 6.870 7.037 1.00 0.00 N ATOM 984 CA LYS A 68 2.620 7.702 7.995 1.00 0.00 C ATOM 985 C LYS A 68 3.523 6.821 8.860 1.00 0.00 C ATOM 986 O LYS A 68 4.527 7.289 9.394 1.00 0.00 O ATOM 987 CB LYS A 68 1.633 8.550 8.800 1.00 0.00 C ATOM 988 CG LYS A 68 0.361 8.821 7.997 1.00 0.00 C ATOM 989 CD LYS A 68 0.592 9.921 6.957 1.00 0.00 C ATOM 990 CE LYS A 68 0.728 11.288 7.628 1.00 0.00 C ATOM 991 NZ LYS A 68 1.326 12.267 6.694 1.00 0.00 N ATOM 0 H LYS A 68 1.189 6.276 7.441 1.00 0.00 H new ATOM 0 HA LYS A 68 3.267 8.412 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.379 8.037 9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.101 9.495 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.040 7.906 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.443 9.116 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.493 9.702 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.238 9.939 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.251 11.639 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.349 11.202 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.411 13.190 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.269 11.938 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.719 12.362 5.855 1.00 0.00 H new ATOM 1000 N GLN A 69 3.133 5.560 8.971 1.00 0.00 N ATOM 1001 CA GLN A 69 3.895 4.608 9.763 1.00 0.00 C ATOM 1002 C GLN A 69 4.836 3.803 8.864 1.00 0.00 C ATOM 1003 O GLN A 69 5.739 3.127 9.353 1.00 0.00 O ATOM 1004 CB GLN A 69 2.966 3.683 10.552 1.00 0.00 C ATOM 1005 CG GLN A 69 3.722 2.977 11.678 1.00 0.00 C ATOM 1006 CD GLN A 69 3.774 3.849 12.935 1.00 0.00 C ATOM 1007 OE1 GLN A 69 4.823 4.297 13.368 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.586 4.064 13.492 1.00 0.00 N ATOM 0 H GLN A 69 2.300 5.175 8.526 1.00 0.00 H new ATOM 0 HA GLN A 69 4.497 5.163 10.482 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.141 4.260 10.969 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.530 2.942 9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.236 2.029 11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.735 2.744 11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.747 3.658 13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.513 4.635 14.334 1.00 0.00 H new ATOM 1090 N GLY A 75 10.919 4.902 4.146 1.00 0.00 N ATOM 1091 CA GLY A 75 11.421 5.937 3.259 1.00 0.00 C ATOM 1092 C GLY A 75 10.272 6.720 2.623 1.00 0.00 C ATOM 1093 O GLY A 75 10.136 7.922 2.845 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.065 6.618 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.034 5.486 2.479 1.00 0.00 H new ATOM 1097 N GLU A 76 9.472 6.007 1.842 1.00 0.00 N ATOM 1098 CA GLU A 76 8.338 6.620 1.173 1.00 0.00 C ATOM 1099 C GLU A 76 7.236 5.584 0.939 1.00 0.00 C ATOM 1100 O GLU A 76 7.517 4.396 0.798 1.00 0.00 O ATOM 1101 CB GLU A 76 8.766 7.272 -0.144 1.00 0.00 C ATOM 1102 CG GLU A 76 10.238 7.684 -0.098 1.00 0.00 C ATOM 1103 CD GLU A 76 10.410 9.031 0.606 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.496 9.870 0.570 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.541 9.193 1.206 1.00 0.00 O ATOM 0 H GLU A 76 9.588 5.010 1.658 1.00 0.00 H new ATOM 0 HA GLU A 76 7.941 7.405 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.605 6.576 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.146 8.147 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.816 6.921 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.633 7.747 -1.112 1.00 0.00 H new ATOM 1111 N MET A 77 6.006 6.075 0.905 1.00 0.00 N ATOM 1112 CA MET A 77 4.860 5.206 0.691 1.00 0.00 C ATOM 1113 C MET A 77 4.291 5.386 -0.717 1.00 0.00 C ATOM 1114 O MET A 77 3.880 6.485 -1.089 1.00 0.00 O ATOM 1115 CB MET A 77 3.778 5.525 1.724 1.00 0.00 C ATOM 1116 CG MET A 77 2.474 4.793 1.396 1.00 0.00 C ATOM 1117 SD MET A 77 2.688 3.036 1.616 1.00 0.00 S ATOM 1118 CE MET A 77 1.250 2.671 2.610 1.00 0.00 C ATOM 0 H MET A 77 5.777 7.062 1.022 1.00 0.00 H new ATOM 0 HA MET A 77 5.186 4.172 0.801 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.122 5.236 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 77 3.600 6.600 1.749 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.673 5.154 2.041 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.176 5.006 0.369 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.344 1.670 3.032 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.171 3.399 3.417 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.356 2.720 1.988 1.00 0.00 H new ATOM 1126 N VAL A 78 4.287 4.292 -1.464 1.00 0.00 N ATOM 1127 CA VAL A 78 3.775 4.315 -2.823 1.00 0.00 C ATOM 1128 C VAL A 78 2.750 3.194 -2.998 1.00 0.00 C ATOM 1129 O VAL A 78 2.855 2.147 -2.358 1.00 0.00 O ATOM 1130 CB VAL A 78 4.934 4.227 -3.820 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.422 4.264 -5.261 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.956 5.337 -3.572 1.00 0.00 C ATOM 0 H VAL A 78 4.631 3.383 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 78 3.263 5.256 -3.022 1.00 0.00 H new ATOM 0 HB VAL A 78 5.435 3.271 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.265 4.200 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.751 3.422 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.884 5.197 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.768 5.251 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.473 6.308 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.356 5.244 -2.562 1.00 0.00 H new ATOM 1142 N VAL A 79 1.783 3.449 -3.865 1.00 0.00 N ATOM 1143 CA VAL A 79 0.739 2.474 -4.131 1.00 0.00 C ATOM 1144 C VAL A 79 0.330 2.558 -5.604 1.00 0.00 C ATOM 1145 O VAL A 79 0.202 3.652 -6.153 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.434 2.687 -3.172 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -0.814 4.167 -3.092 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.637 1.833 -3.579 1.00 0.00 C ATOM 0 H VAL A 79 1.700 4.318 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 79 1.107 1.464 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.118 2.368 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.650 4.291 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.039 4.743 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.102 4.523 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.457 2.003 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.954 2.107 -4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.358 0.779 -3.561 1.00 0.00 H new ATOM 1158 N CYS A 80 0.136 1.391 -6.200 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.255 1.320 -7.597 1.00 0.00 C ATOM 1160 C CYS A 80 -1.490 0.424 -7.705 1.00 0.00 C ATOM 1161 O CYS A 80 -2.040 -0.005 -6.692 1.00 0.00 O ATOM 1162 CB CYS A 80 0.891 0.822 -8.481 1.00 0.00 C ATOM 1163 SG CYS A 80 1.403 -0.854 -7.956 1.00 0.00 S ATOM 0 H CYS A 80 0.242 0.487 -5.740 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.499 2.318 -7.960 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.576 0.805 -9.524 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.736 1.507 -8.415 1.00 0.00 H new ATOM 0 HG CYS A 80 1.653 -0.852 -6.680 1.00 0.00 H new ATOM 1168 N ALA A 81 -1.890 0.168 -8.942 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.050 -0.670 -9.196 1.00 0.00 C ATOM 1170 C ALA A 81 -4.310 0.052 -8.711 1.00 0.00 C ATOM 1171 O ALA A 81 -4.815 -0.235 -7.627 1.00 0.00 O ATOM 1172 CB ALA A 81 -2.857 -2.027 -8.517 1.00 0.00 C ATOM 0 H ALA A 81 -1.431 0.526 -9.780 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.166 -0.854 -10.264 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.727 -2.656 -8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.965 -2.510 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.741 -1.883 -7.443 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.780 0.973 -9.539 1.00 0.00 N ATOM 1179 CA ILE A 82 -5.970 1.738 -9.209 1.00 0.00 C ATOM 1180 C ILE A 82 -7.098 1.358 -10.171 1.00 0.00 C ATOM 1181 O ILE A 82 -6.865 0.675 -11.167 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.658 3.235 -9.187 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.776 4.019 -8.497 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.378 3.757 -10.598 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -7.107 3.414 -7.132 1.00 0.00 C ATOM 0 H ILE A 82 -4.358 1.207 -10.438 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.312 1.494 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.751 3.386 -8.601 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.474 5.059 -8.374 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.667 4.018 -9.125 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.159 4.824 -10.554 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.523 3.228 -11.019 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.252 3.592 -11.227 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.905 3.990 -6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.432 2.382 -7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.220 3.439 -6.498 1.00 0.00 H new ATOM 1196 N SER A 83 -8.295 1.820 -9.841 1.00 0.00 N ATOM 1197 CA SER A 83 -9.459 1.537 -10.663 1.00 0.00 C ATOM 1198 C SER A 83 -10.490 2.658 -10.516 1.00 0.00 C ATOM 1199 O SER A 83 -10.426 3.443 -9.571 1.00 0.00 O ATOM 1200 CB SER A 83 -10.083 0.190 -10.293 1.00 0.00 C ATOM 1201 OG SER A 83 -9.956 -0.764 -11.342 1.00 0.00 O ATOM 0 H SER A 83 -8.484 2.388 -9.015 1.00 0.00 H new ATOM 0 HA SER A 83 -9.136 1.483 -11.703 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.605 -0.196 -9.393 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.138 0.332 -10.058 1.00 0.00 H new ATOM 0 HG SER A 83 -10.365 -1.611 -11.066 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.439 2.699 -11.487 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.482 3.710 -11.473 1.00 0.00 C ATOM 1208 C PRO A 84 -13.536 3.398 -10.409 1.00 0.00 C ATOM 1209 O PRO A 84 -14.489 4.154 -10.234 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.046 3.713 -12.885 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.624 2.392 -13.505 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.546 1.785 -12.622 1.00 0.00 C ATOM 0 HA PRO A 84 -12.106 4.698 -11.206 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.132 3.809 -12.872 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.659 4.555 -13.459 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.477 1.718 -13.584 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.246 2.548 -14.516 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.819 0.781 -12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.598 1.702 -13.154 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.326 2.283 -9.725 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.247 1.861 -8.682 1.00 0.00 C ATOM 1219 C ALA A 85 -13.454 1.504 -7.424 1.00 0.00 C ATOM 1220 O ALA A 85 -13.837 0.602 -6.679 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.092 0.691 -9.190 1.00 0.00 C ATOM 0 H ALA A 85 -12.533 1.659 -9.872 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.931 2.669 -8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.782 0.374 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.657 1.004 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.439 -0.141 -9.456 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.365 2.231 -7.222 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.515 2.002 -6.066 1.00 0.00 C ATOM 1229 C VAL A 86 -10.898 3.330 -5.622 1.00 0.00 C ATOM 1230 O VAL A 86 -10.737 3.575 -4.428 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.468 0.934 -6.389 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.239 1.084 -5.491 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.065 -0.470 -6.272 1.00 0.00 C ATOM 0 H VAL A 86 -12.052 2.980 -7.840 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.101 1.620 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.148 1.077 -7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.510 0.313 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.794 2.067 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.536 0.979 -4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.301 -1.211 -6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.425 -0.629 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.895 -0.572 -6.971 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.569 4.152 -6.608 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.972 5.448 -6.335 1.00 0.00 C ATOM 1245 C LYS A 87 -11.067 6.428 -5.908 1.00 0.00 C ATOM 1246 O LYS A 87 -10.777 7.568 -5.544 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.153 5.925 -7.535 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.842 7.097 -8.239 1.00 0.00 C ATOM 1249 CD LYS A 87 -11.173 6.661 -8.853 1.00 0.00 C ATOM 1250 CE LYS A 87 -12.079 7.867 -9.112 1.00 0.00 C ATOM 1251 NZ LYS A 87 -13.077 7.550 -10.158 1.00 0.00 N ATOM 0 H LYS A 87 -10.705 3.945 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.267 5.376 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.160 6.228 -7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.018 5.103 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.013 7.904 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.190 7.492 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.990 6.132 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.675 5.962 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.587 8.152 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.477 8.721 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.684 8.379 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.587 7.300 -11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.662 6.748 -9.848 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.301 5.949 -5.967 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.440 6.770 -5.591 1.00 0.00 C ATOM 1262 C ARG A 88 -13.576 6.824 -4.068 1.00 0.00 C ATOM 1263 O ARG A 88 -14.253 7.700 -3.533 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.735 6.221 -6.192 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.660 4.703 -6.367 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.301 4.016 -5.047 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.032 2.736 -4.928 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.365 2.640 -4.728 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -17.123 3.752 -4.626 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.914 1.443 -4.637 1.00 0.00 N ATOM 0 H ARG A 88 -12.537 5.004 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.268 7.774 -5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.576 6.475 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.921 6.693 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.617 4.327 -6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.915 4.457 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.227 3.836 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.551 4.667 -4.209 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.496 1.871 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.690 4.673 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.129 3.672 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.333 0.608 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.919 1.353 -4.486 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.921 5.877 -3.413 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.960 5.805 -1.963 1.00 0.00 C ATOM 1282 C LEU A 89 -12.181 6.985 -1.378 1.00 0.00 C ATOM 1283 O LEU A 89 -12.649 7.644 -0.450 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.465 4.441 -1.480 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.542 3.470 -0.993 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -13.958 2.510 -2.109 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.082 2.725 0.263 1.00 0.00 C ATOM 0 H LEU A 89 -12.360 5.152 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.986 5.890 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.917 3.966 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.755 4.601 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.425 4.048 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.725 1.830 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.355 3.079 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.092 1.936 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.866 2.041 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.177 2.160 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.875 3.443 1.056 1.00 0.00 H new ATOM 1298 N PHE A 90 -11.006 7.217 -1.944 1.00 0.00 N ATOM 1299 CA PHE A 90 -10.158 8.306 -1.490 1.00 0.00 C ATOM 1300 C PHE A 90 -10.580 9.631 -2.126 1.00 0.00 C ATOM 1301 O PHE A 90 -10.293 10.700 -1.589 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.730 7.974 -1.931 1.00 0.00 C ATOM 1303 CG PHE A 90 -8.290 6.548 -1.593 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.516 5.540 -2.477 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.673 6.289 -0.409 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -8.108 4.216 -2.164 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -7.264 4.966 -0.096 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.490 3.957 -0.980 1.00 0.00 C ATOM 0 H PHE A 90 -10.621 6.669 -2.713 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.236 8.412 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.649 8.123 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -8.043 8.677 -1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.006 5.746 -3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.494 7.090 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.288 3.415 -2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.773 4.761 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.179 2.951 -0.742 1.00 0.00 H new ATOM 1317 N ASP A 91 -11.256 9.518 -3.260 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.720 10.694 -3.975 1.00 0.00 C ATOM 1319 C ASP A 91 -12.783 11.408 -3.138 1.00 0.00 C ATOM 1320 O ASP A 91 -12.868 12.635 -3.150 1.00 0.00 O ATOM 1321 CB ASP A 91 -12.352 10.311 -5.315 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.828 11.091 -6.523 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.638 11.017 -6.863 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -12.711 11.806 -7.135 1.00 0.00 O ATOM 0 H ASP A 91 -11.493 8.629 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.861 11.341 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.185 9.248 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -13.430 10.458 -5.246 1.00 0.00 H new ATOM 1329 N MET A 92 -13.568 10.608 -2.430 1.00 0.00 N ATOM 1330 CA MET A 92 -14.622 11.148 -1.589 1.00 0.00 C ATOM 1331 C MET A 92 -14.068 11.596 -0.234 1.00 0.00 C ATOM 1332 O MET A 92 -14.570 12.547 0.363 1.00 0.00 O ATOM 1333 CB MET A 92 -15.699 10.082 -1.372 1.00 0.00 C ATOM 1334 CG MET A 92 -16.904 10.663 -0.630 1.00 0.00 C ATOM 1335 SD MET A 92 -17.589 9.440 0.474 1.00 0.00 S ATOM 1336 CE MET A 92 -16.479 9.616 1.860 1.00 0.00 C ATOM 0 H MET A 92 -13.495 9.591 -2.422 1.00 0.00 H new ATOM 0 HA MET A 92 -15.052 12.016 -2.090 1.00 0.00 H new ATOM 0 HB2 MET A 92 -16.018 9.682 -2.334 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.283 9.251 -0.803 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.603 11.546 -0.066 1.00 0.00 H new ATOM 0 HG3 MET A 92 -17.661 10.984 -1.345 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.766 8.919 2.647 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.460 9.401 1.539 1.00 0.00 H new ATOM 0 HE3 MET A 92 -16.532 10.636 2.241 1.00 0.00 H new ATOM 1344 N SER A 93 -13.040 10.888 0.211 1.00 0.00 N ATOM 1345 CA SER A 93 -12.412 11.201 1.484 1.00 0.00 C ATOM 1346 C SER A 93 -11.704 12.554 1.400 1.00 0.00 C ATOM 1347 O SER A 93 -11.982 13.454 2.189 1.00 0.00 O ATOM 1348 CB SER A 93 -11.422 10.108 1.892 1.00 0.00 C ATOM 1349 OG SER A 93 -11.083 10.185 3.274 1.00 0.00 O ATOM 0 H SER A 93 -12.627 10.099 -0.287 1.00 0.00 H new ATOM 0 HA SER A 93 -13.190 11.253 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.853 9.130 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.517 10.196 1.291 1.00 0.00 H new ATOM 0 HG SER A 93 -10.451 9.470 3.496 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.801 12.655 0.435 1.00 0.00 N ATOM 1355 CA GLY A 94 -10.051 13.883 0.237 1.00 0.00 C ATOM 1356 C GLY A 94 -8.627 13.748 0.779 1.00 0.00 C ATOM 1357 O GLY A 94 -7.780 14.607 0.532 1.00 0.00 O ATOM 0 H GLY A 94 -10.572 11.906 -0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.018 14.126 -0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.558 14.708 0.738 1.00 0.00 H new ATOM 1361 N LEU A 95 -8.405 12.665 1.508 1.00 0.00 N ATOM 1362 CA LEU A 95 -7.097 12.407 2.087 1.00 0.00 C ATOM 1363 C LEU A 95 -6.248 11.618 1.087 1.00 0.00 C ATOM 1364 O LEU A 95 -5.196 11.088 1.443 1.00 0.00 O ATOM 1365 CB LEU A 95 -7.239 11.722 3.448 1.00 0.00 C ATOM 1366 CG LEU A 95 -6.113 11.981 4.450 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.744 13.465 4.489 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.477 11.444 5.835 1.00 0.00 C ATOM 0 H LEU A 95 -9.109 11.955 1.711 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.575 13.344 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.179 12.042 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.313 10.647 3.285 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.228 11.438 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.941 13.621 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.412 13.783 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.616 14.049 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.659 11.641 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.381 11.938 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.650 10.370 5.775 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.735 11.567 -0.143 1.00 0.00 N ATOM 1380 CA PHE A 96 -6.034 10.852 -1.196 1.00 0.00 C ATOM 1381 C PHE A 96 -4.591 11.342 -1.324 1.00 0.00 C ATOM 1382 O PHE A 96 -3.725 10.614 -1.807 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.776 11.141 -2.503 1.00 0.00 C ATOM 1384 CG PHE A 96 -7.045 9.898 -3.353 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -6.373 8.742 -3.101 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.957 9.948 -4.362 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.623 7.588 -3.890 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -8.207 8.794 -5.151 1.00 0.00 C ATOM 1389 CZ PHE A 96 -7.535 7.638 -4.898 1.00 0.00 C ATOM 0 H PHE A 96 -7.607 12.009 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.009 9.786 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.726 11.622 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.194 11.851 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.649 8.702 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -8.491 10.865 -4.563 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -6.089 6.671 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.930 8.834 -5.952 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.726 6.760 -5.498 1.00 0.00 H new ATOM 1398 N LYS A 97 -4.376 12.573 -0.883 1.00 0.00 N ATOM 1399 CA LYS A 97 -3.052 13.169 -0.942 1.00 0.00 C ATOM 1400 C LYS A 97 -2.097 12.368 -0.055 1.00 0.00 C ATOM 1401 O LYS A 97 -0.891 12.346 -0.297 1.00 0.00 O ATOM 1402 CB LYS A 97 -3.118 14.656 -0.589 1.00 0.00 C ATOM 1403 CG LYS A 97 -4.407 15.289 -1.116 1.00 0.00 C ATOM 1404 CD LYS A 97 -4.190 16.761 -1.473 1.00 0.00 C ATOM 1405 CE LYS A 97 -3.665 16.906 -2.903 1.00 0.00 C ATOM 1406 NZ LYS A 97 -2.232 16.545 -2.969 1.00 0.00 N ATOM 0 H LYS A 97 -5.097 13.174 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.658 13.123 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.064 14.779 0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.256 15.172 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.750 14.745 -1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.191 15.206 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.128 17.306 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.482 17.208 -0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.238 16.266 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.804 17.932 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.790 17.025 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.759 16.840 -2.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.138 15.516 -3.084 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.672 11.729 0.953 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.887 10.928 1.877 1.00 0.00 C ATOM 1417 C ILE A 98 -1.998 9.452 1.489 1.00 0.00 C ATOM 1418 O ILE A 98 -1.606 8.574 2.254 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.301 11.217 3.322 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.933 9.982 3.968 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.223 12.435 3.394 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.878 9.147 4.699 1.00 0.00 C ATOM 0 H ILE A 98 -3.673 11.750 1.150 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.833 11.196 1.812 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.404 11.457 3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.708 10.290 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.418 9.375 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.503 12.619 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.704 13.308 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.120 12.247 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.352 8.275 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.117 8.821 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.413 9.750 5.479 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.533 9.226 0.298 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.700 7.872 -0.202 1.00 0.00 C ATOM 1435 C ILE A 99 -2.020 7.748 -1.567 1.00 0.00 C ATOM 1436 O ILE A 99 -1.645 6.653 -1.981 1.00 0.00 O ATOM 1437 CB ILE A 99 -4.181 7.485 -0.215 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -4.676 7.162 1.196 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -4.437 6.333 -1.190 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -4.140 5.811 1.670 1.00 0.00 C ATOM 0 H ILE A 99 -2.856 9.958 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.213 7.158 0.462 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.755 8.341 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.358 7.945 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.766 7.149 1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.496 6.077 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.146 6.636 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.851 5.465 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.507 5.606 2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.480 5.027 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.050 5.835 1.680 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.882 8.889 -2.228 1.00 0.00 N ATOM 1452 CA ARG A 100 -1.254 8.922 -3.538 1.00 0.00 C ATOM 1453 C ARG A 100 -1.317 7.541 -4.193 1.00 0.00 C ATOM 1454 O ARG A 100 -0.362 6.769 -4.115 1.00 0.00 O ATOM 1455 CB ARG A 100 0.208 9.365 -3.436 1.00 0.00 C ATOM 1456 CG ARG A 100 0.673 10.021 -4.738 1.00 0.00 C ATOM 1457 CD ARG A 100 1.168 8.971 -5.735 1.00 0.00 C ATOM 1458 NE ARG A 100 0.407 9.075 -7.000 1.00 0.00 N ATOM 1459 CZ ARG A 100 0.509 10.110 -7.861 1.00 0.00 C ATOM 1460 NH1 ARG A 100 1.342 11.139 -7.600 1.00 0.00 N ATOM 1461 NH2 ARG A 100 -0.219 10.100 -8.962 1.00 0.00 N ATOM 0 H ARG A 100 -2.194 9.796 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.799 9.642 -4.149 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.323 10.067 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 100 0.838 8.504 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.148 10.587 -5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.472 10.732 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.231 9.114 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.052 7.973 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.234 8.318 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.901 11.139 -6.747 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.413 11.917 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.846 9.318 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.154 10.874 -9.623 1.00 0.00 H new ATOM 1471 N PHE A 101 -2.451 7.271 -4.823 1.00 0.00 N ATOM 1472 CA PHE A 101 -2.651 5.996 -5.490 1.00 0.00 C ATOM 1473 C PHE A 101 -2.497 6.140 -7.005 1.00 0.00 C ATOM 1474 O PHE A 101 -2.189 7.224 -7.501 1.00 0.00 O ATOM 1475 CB PHE A 101 -4.078 5.545 -5.176 1.00 0.00 C ATOM 1476 CG PHE A 101 -4.180 4.103 -4.677 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -4.344 3.087 -5.566 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -4.107 3.837 -3.346 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -4.438 1.747 -5.104 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.201 2.497 -2.883 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.365 1.481 -3.772 1.00 0.00 C ATOM 0 H PHE A 101 -3.241 7.914 -4.886 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.911 5.275 -5.143 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.501 6.210 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.687 5.652 -6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.403 3.299 -6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.978 4.644 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.567 0.940 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.142 2.285 -1.826 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.437 0.462 -3.420 1.00 0.00 H new ATOM 1490 N GLU A 102 -2.718 5.034 -7.699 1.00 0.00 N ATOM 1491 CA GLU A 102 -2.606 5.023 -9.148 1.00 0.00 C ATOM 1492 C GLU A 102 -1.139 5.110 -9.569 1.00 0.00 C ATOM 1493 O GLU A 102 -0.383 5.922 -9.036 1.00 0.00 O ATOM 1494 CB GLU A 102 -3.424 6.159 -9.768 1.00 0.00 C ATOM 1495 CG GLU A 102 -4.616 6.522 -8.883 1.00 0.00 C ATOM 1496 CD GLU A 102 -4.479 7.945 -8.335 1.00 0.00 C ATOM 1497 OE1 GLU A 102 -3.683 8.738 -8.859 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -5.238 8.216 -7.327 1.00 0.00 O ATOM 0 H GLU A 102 -2.974 4.138 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.013 4.082 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.790 7.035 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.777 5.861 -10.755 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.539 6.437 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.688 5.815 -8.056 1.00 0.00 H new ATOM 1504 N GLN A 103 -0.777 4.262 -10.521 1.00 0.00 N ATOM 1505 CA GLN A 103 0.587 4.233 -11.019 1.00 0.00 C ATOM 1506 C GLN A 103 0.640 3.537 -12.381 1.00 0.00 C ATOM 1507 O GLN A 103 1.176 4.086 -13.342 1.00 0.00 O ATOM 1508 CB GLN A 103 1.522 3.552 -10.018 1.00 0.00 C ATOM 1509 CG GLN A 103 1.408 4.196 -8.635 1.00 0.00 C ATOM 1510 CD GLN A 103 1.950 5.628 -8.651 1.00 0.00 C ATOM 1511 OE1 GLN A 103 1.913 6.322 -9.654 1.00 0.00 O ATOM 1512 NE2 GLN A 103 2.455 6.027 -7.487 1.00 0.00 N ATOM 0 H GLN A 103 -1.406 3.590 -10.961 1.00 0.00 H new ATOM 0 HA GLN A 103 0.929 5.260 -11.144 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.278 2.492 -9.951 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.551 3.621 -10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.365 4.201 -8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.960 3.602 -7.907 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.454 5.394 -6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.843 6.966 -7.394 1.00 0.00 H new ATOM 1519 N SER A 104 0.077 2.338 -12.419 1.00 0.00 N ATOM 1520 CA SER A 104 0.053 1.561 -13.646 1.00 0.00 C ATOM 1521 C SER A 104 1.457 1.496 -14.251 1.00 0.00 C ATOM 1522 O SER A 104 2.200 0.547 -14.004 1.00 0.00 O ATOM 1523 CB SER A 104 -0.932 2.155 -14.655 1.00 0.00 C ATOM 1524 OG SER A 104 -0.748 1.617 -15.962 1.00 0.00 O ATOM 0 H SER A 104 -0.366 1.886 -11.619 1.00 0.00 H new ATOM 0 HA SER A 104 -0.280 0.551 -13.405 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.952 1.961 -14.323 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.808 3.237 -14.688 1.00 0.00 H new ATOM 0 HG SER A 104 -1.397 2.020 -16.576 1.00 0.00 H new ATOM 1529 N GLU A 105 1.779 2.516 -15.033 1.00 0.00 N ATOM 1530 CA GLU A 105 3.080 2.587 -15.675 1.00 0.00 C ATOM 1531 C GLU A 105 4.156 2.959 -14.653 1.00 0.00 C ATOM 1532 O GLU A 105 5.329 2.635 -14.835 1.00 0.00 O ATOM 1533 CB GLU A 105 3.064 3.578 -16.840 1.00 0.00 C ATOM 1534 CG GLU A 105 4.403 3.576 -17.580 1.00 0.00 C ATOM 1535 CD GLU A 105 4.204 3.833 -19.075 1.00 0.00 C ATOM 1536 OE1 GLU A 105 3.117 3.571 -19.610 1.00 0.00 O ATOM 1537 OE2 GLU A 105 5.229 4.327 -19.685 1.00 0.00 O ATOM 0 H GLU A 105 1.160 3.301 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 105 3.317 1.604 -16.082 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.262 3.319 -17.531 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.852 4.580 -16.467 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.056 4.341 -17.160 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.901 2.617 -17.435 1.00 0.00 H new ATOM 1543 N GLN A 106 3.720 3.636 -13.600 1.00 0.00 N ATOM 1544 CA GLN A 106 4.632 4.055 -12.549 1.00 0.00 C ATOM 1545 C GLN A 106 5.039 2.857 -11.690 1.00 0.00 C ATOM 1546 O GLN A 106 5.898 2.978 -10.817 1.00 0.00 O ATOM 1547 CB GLN A 106 4.008 5.158 -11.691 1.00 0.00 C ATOM 1548 CG GLN A 106 4.637 5.189 -10.298 1.00 0.00 C ATOM 1549 CD GLN A 106 4.443 6.557 -9.639 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.946 7.497 -10.236 1.00 0.00 O ATOM 1551 NE2 GLN A 106 4.864 6.615 -8.379 1.00 0.00 N ATOM 0 H GLN A 106 2.747 3.905 -13.452 1.00 0.00 H new ATOM 0 HA GLN A 106 5.529 4.464 -13.014 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.145 6.124 -12.178 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.934 4.994 -11.606 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.189 4.415 -9.675 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.701 4.964 -10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.271 5.790 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 106 4.780 7.485 -7.853 1.00 0.00 H new ATOM 1558 N GLN A 107 4.406 1.727 -11.968 1.00 0.00 N ATOM 1559 CA GLN A 107 4.692 0.507 -11.231 1.00 0.00 C ATOM 1560 C GLN A 107 6.178 0.441 -10.872 1.00 0.00 C ATOM 1561 O GLN A 107 6.547 -0.128 -9.846 1.00 0.00 O ATOM 1562 CB GLN A 107 4.264 -0.727 -12.028 1.00 0.00 C ATOM 1563 CG GLN A 107 5.278 -1.048 -13.128 1.00 0.00 C ATOM 1564 CD GLN A 107 4.754 -2.149 -14.051 1.00 0.00 C ATOM 1565 OE1 GLN A 107 3.574 -2.457 -14.086 1.00 0.00 O ATOM 1566 NE2 GLN A 107 5.694 -2.723 -14.797 1.00 0.00 N ATOM 0 H GLN A 107 3.696 1.630 -12.694 1.00 0.00 H new ATOM 0 HA GLN A 107 4.115 0.519 -10.306 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.166 -1.581 -11.358 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.283 -0.556 -12.471 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.486 -0.150 -13.709 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.220 -1.363 -12.679 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.664 -2.418 -14.719 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.445 -3.468 -15.447 1.00 0.00 H new ATOM 1573 N ALA A 108 6.990 1.032 -11.737 1.00 0.00 N ATOM 1574 CA ALA A 108 8.427 1.047 -11.523 1.00 0.00 C ATOM 1575 C ALA A 108 8.773 2.114 -10.482 1.00 0.00 C ATOM 1576 O ALA A 108 9.374 1.809 -9.454 1.00 0.00 O ATOM 1577 CB ALA A 108 9.138 1.282 -12.858 1.00 0.00 C ATOM 0 H ALA A 108 6.680 1.504 -12.587 1.00 0.00 H new ATOM 0 HA ALA A 108 8.768 0.087 -11.136 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.216 1.294 -12.699 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.882 0.482 -13.552 1.00 0.00 H new ATOM 0 HB3 ALA A 108 8.823 2.238 -13.275 1.00 0.00 H new ATOM 1583 N LEU A 109 8.377 3.341 -10.786 1.00 0.00 N ATOM 1584 CA LEU A 109 8.638 4.454 -9.890 1.00 0.00 C ATOM 1585 C LEU A 109 7.986 4.175 -8.533 1.00 0.00 C ATOM 1586 O LEU A 109 8.302 4.830 -7.542 1.00 0.00 O ATOM 1587 CB LEU A 109 8.191 5.772 -10.526 1.00 0.00 C ATOM 1588 CG LEU A 109 9.173 6.939 -10.411 1.00 0.00 C ATOM 1589 CD1 LEU A 109 8.586 8.211 -11.027 1.00 0.00 C ATOM 1590 CD2 LEU A 109 9.603 7.152 -8.959 1.00 0.00 C ATOM 0 H LEU A 109 7.877 3.589 -11.640 1.00 0.00 H new ATOM 0 HA LEU A 109 9.709 4.558 -9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.992 5.593 -11.583 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.247 6.071 -10.070 1.00 0.00 H new ATOM 0 HG LEU A 109 10.069 6.689 -10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.304 9.026 -10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.370 8.038 -12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.666 8.476 -10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.301 7.987 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.727 7.371 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.088 6.249 -8.587 1.00 0.00 H new ATOM 1601 N LEU A 110 7.088 3.201 -8.534 1.00 0.00 N ATOM 1602 CA LEU A 110 6.389 2.827 -7.316 1.00 0.00 C ATOM 1603 C LEU A 110 7.398 2.291 -6.299 1.00 0.00 C ATOM 1604 O LEU A 110 7.168 2.367 -5.093 1.00 0.00 O ATOM 1605 CB LEU A 110 5.254 1.850 -7.629 1.00 0.00 C ATOM 1606 CG LEU A 110 4.684 1.079 -6.437 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.252 1.522 -6.130 1.00 0.00 C ATOM 1608 CD2 LEU A 110 4.780 -0.431 -6.663 1.00 0.00 C ATOM 0 H LEU A 110 6.828 2.660 -9.358 1.00 0.00 H new ATOM 0 HA LEU A 110 5.914 3.699 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.442 2.406 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.614 1.130 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 110 5.288 1.313 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.871 0.958 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.243 2.586 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.620 1.338 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.368 -0.955 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.216 -0.702 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.825 -0.714 -6.794 1.00 0.00 H new ATOM 1619 N THR A 111 8.494 1.762 -6.822 1.00 0.00 N ATOM 1620 CA THR A 111 9.539 1.215 -5.973 1.00 0.00 C ATOM 1621 C THR A 111 10.038 2.275 -4.991 1.00 0.00 C ATOM 1622 O THR A 111 10.854 1.982 -4.118 1.00 0.00 O ATOM 1623 CB THR A 111 10.640 0.658 -6.879 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.314 -0.723 -7.012 1.00 0.00 O ATOM 1625 CG2 THR A 111 12.010 0.654 -6.199 1.00 0.00 C ATOM 0 H THR A 111 8.681 1.700 -7.823 1.00 0.00 H new ATOM 0 HA THR A 111 9.162 0.399 -5.356 1.00 0.00 H new ATOM 0 HB THR A 111 10.691 1.248 -7.794 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.976 -1.162 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.755 0.250 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 111 12.284 1.673 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.969 0.036 -5.302 1.00 0.00 H new ATOM 1633 N LEU A 112 9.528 3.485 -5.166 1.00 0.00 N ATOM 1634 CA LEU A 112 9.913 4.591 -4.305 1.00 0.00 C ATOM 1635 C LEU A 112 10.977 5.434 -5.010 1.00 0.00 C ATOM 1636 O LEU A 112 11.791 6.087 -4.357 1.00 0.00 O ATOM 1637 CB LEU A 112 10.347 4.075 -2.932 1.00 0.00 C ATOM 1638 CG LEU A 112 10.575 5.139 -1.856 1.00 0.00 C ATOM 1639 CD1 LEU A 112 10.214 4.603 -0.469 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.007 5.675 -1.909 1.00 0.00 C ATOM 0 H LEU A 112 8.852 3.724 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 112 9.060 5.244 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.590 3.379 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.269 3.507 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 112 9.910 5.978 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.385 5.379 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 112 9.164 4.311 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.835 3.737 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.142 6.429 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.708 4.857 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.193 6.121 -2.886 1.00 0.00 H new ATOM 1651 N GLY A 113 10.937 5.394 -6.333 1.00 0.00 N ATOM 1652 CA GLY A 113 11.888 6.146 -7.134 1.00 0.00 C ATOM 1653 C GLY A 113 13.311 5.978 -6.597 1.00 0.00 C ATOM 1654 O GLY A 113 14.139 6.877 -6.734 1.00 0.00 O ATOM 0 H GLY A 113 10.261 4.852 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 113 11.844 5.808 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.617 7.202 -7.131 1.00 0.00 H new ATOM 1658 N VAL A 114 13.550 4.821 -5.998 1.00 0.00 N ATOM 1659 CA VAL A 114 14.859 4.524 -5.439 1.00 0.00 C ATOM 1660 C VAL A 114 15.355 3.189 -5.998 1.00 0.00 C ATOM 1661 O VAL A 114 15.476 2.211 -5.261 1.00 0.00 O ATOM 1662 CB VAL A 114 14.792 4.546 -3.911 1.00 0.00 C ATOM 1663 CG1 VAL A 114 16.004 3.840 -3.300 1.00 0.00 C ATOM 1664 CG2 VAL A 114 14.671 5.979 -3.388 1.00 0.00 C ATOM 0 H VAL A 114 12.860 4.078 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 114 15.582 5.286 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 114 13.898 4.002 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.932 3.870 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.028 2.803 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.917 4.344 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.625 5.966 -2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.538 6.557 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.764 6.435 -3.784 1.00 0.00 H new ATOM 1674 N ALA A 115 15.630 3.191 -7.293 1.00 0.00 N ATOM 1675 CA ALA A 115 16.111 1.992 -7.959 1.00 0.00 C ATOM 1676 C ALA A 115 16.092 2.211 -9.473 1.00 0.00 C ATOM 1677 O ALA A 115 15.071 1.994 -10.122 1.00 0.00 O ATOM 1678 CB ALA A 115 15.257 0.795 -7.532 1.00 0.00 C ATOM 0 H ALA A 115 15.529 4.004 -7.900 1.00 0.00 H new ATOM 0 HA ALA A 115 17.140 1.779 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.617 -0.105 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.328 0.664 -6.452 1.00 0.00 H new ATOM 0 HB3 ALA A 115 14.218 0.972 -7.809 1.00 0.00 H new