USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 105 SER OG : rot 180:sc= -1.24 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= -0.0355 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.501 K(o=-0.5,f=-3) USER MOD Set 2.3: A 56 ASN : amide:sc= 0 X(o=-0.5,f=-0.5) USER MOD Set 3.1: A 41 THR OG1 : rot -115:sc= 1.11 USER MOD Set 3.2: A 43 SER OG : rot 60:sc= 0.842 USER MOD Single : A 1 ASP N :NH3+ 133:sc= 0.217 (180deg=-0.258) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.81) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 97:sc= -0.064 USER MOD Single : A 13 THR OG1 : rot 94:sc= 1.09 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 17 HIS : no HE2:sc= -0.895 X(o=-0.9,f=-0.93) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.689 K(o=-0.69,f=-0.13) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.904 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -9:sc= 0.457! USER MOD Single : A 36 ASN : amide:sc= -4.07! C(o=-4.1!,f=-5.4!) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.201 (180deg=-0.842) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 41:sc= -1.57! USER MOD Single : A 59 ASN : amide:sc= 0.756 K(o=0.76,f=-6.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -8.69! C(o=-8.7!,f=-12!) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00335 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.21! C(o=-2.2!,f=-11!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 65:sc= 0.587 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.3!) USER MOD Single : A 109 LYS NZ :NH3+ 159:sc= -0.328 (180deg=-1.15) USER MOD Single : A 111 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.31) USER MOD Single : A 115 TYR OH : rot 180:sc= -1.78 USER MOD Single : A 118 THR OG1 : rot 88:sc= 0.585 USER MOD Single : A 120 THR OG1 : rot 56:sc= 0.582 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HEC O2A : rot 150:sc=-0.00865 USER MOD Single : A 125 HEC O2D : rot 150:sc= -0.805 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.984 1.272 16.958 1.00 0.00 N ATOM 2 CA ASP A 1 -8.300 2.196 16.070 1.00 0.00 C ATOM 3 C ASP A 1 -7.958 1.482 14.761 1.00 0.00 C ATOM 4 O ASP A 1 -8.661 1.636 13.764 1.00 0.00 O ATOM 5 CB ASP A 1 -6.993 2.693 16.693 1.00 0.00 C ATOM 6 CG ASP A 1 -6.299 1.694 17.621 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.808 1.520 18.749 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.275 1.128 17.181 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.565 1.329 17.908 1.00 0.00 H new ATOM 0 H2 ASP A 1 -9.992 1.522 17.009 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.885 0.303 16.594 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.961 3.044 15.893 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.304 2.960 15.891 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.199 3.605 17.254 1.00 0.00 H new ATOM 15 N VAL A 2 -6.878 0.715 14.807 1.00 0.00 N ATOM 16 CA VAL A 2 -6.435 -0.024 13.637 1.00 0.00 C ATOM 17 C VAL A 2 -5.820 -1.352 14.081 1.00 0.00 C ATOM 18 O VAL A 2 -4.723 -1.707 13.651 1.00 0.00 O ATOM 19 CB VAL A 2 -5.475 0.833 12.810 1.00 0.00 C ATOM 20 CG1 VAL A 2 -4.069 0.820 13.414 1.00 0.00 C ATOM 21 CG2 VAL A 2 -5.449 0.374 11.351 1.00 0.00 C ATOM 0 H VAL A 2 -6.297 0.590 15.636 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.280 -0.258 12.990 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.839 1.860 12.832 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.406 1.437 12.807 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.105 1.216 14.429 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.692 -0.203 13.437 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.759 1.000 10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.121 -0.664 11.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.449 0.459 10.925 1.00 0.00 H new ATOM 31 N THR A 3 -6.552 -2.050 14.936 1.00 0.00 N ATOM 32 CA THR A 3 -6.092 -3.332 15.443 1.00 0.00 C ATOM 33 C THR A 3 -5.926 -4.331 14.297 1.00 0.00 C ATOM 34 O THR A 3 -5.330 -5.392 14.474 1.00 0.00 O ATOM 35 CB THR A 3 -7.077 -3.797 16.517 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.922 -2.846 17.567 1.00 0.00 O ATOM 37 CG2 THR A 3 -6.665 -5.126 17.154 1.00 0.00 C ATOM 0 H THR A 3 -7.461 -1.752 15.291 1.00 0.00 H new ATOM 0 HA THR A 3 -5.107 -3.245 15.901 1.00 0.00 H new ATOM 0 HB THR A 3 -8.070 -3.897 16.079 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.526 -3.072 18.305 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.398 -5.410 17.909 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.617 -5.898 16.386 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.686 -5.018 17.621 1.00 0.00 H new ATOM 45 N ASN A 4 -6.464 -3.956 13.146 1.00 0.00 N ATOM 46 CA ASN A 4 -6.384 -4.806 11.970 1.00 0.00 C ATOM 47 C ASN A 4 -4.992 -4.677 11.347 1.00 0.00 C ATOM 48 O ASN A 4 -4.355 -5.680 11.029 1.00 0.00 O ATOM 49 CB ASN A 4 -7.413 -4.389 10.917 1.00 0.00 C ATOM 50 CG ASN A 4 -8.651 -3.774 11.574 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.288 -2.880 11.043 1.00 0.00 O ATOM 52 ND2 ASN A 4 -8.954 -4.301 12.757 1.00 0.00 N ATOM 0 H ASN A 4 -6.957 -3.075 13.002 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.582 -5.832 12.281 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.966 -3.670 10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.704 -5.256 10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.762 -3.958 13.276 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.378 -5.048 13.145 1.00 0.00 H new ATOM 59 N ALA A 5 -4.562 -3.433 11.191 1.00 0.00 N ATOM 60 CA ALA A 5 -3.258 -3.160 10.611 1.00 0.00 C ATOM 61 C ALA A 5 -2.225 -4.110 11.221 1.00 0.00 C ATOM 62 O ALA A 5 -1.427 -4.709 10.502 1.00 0.00 O ATOM 63 CB ALA A 5 -2.899 -1.689 10.832 1.00 0.00 C ATOM 0 H ALA A 5 -5.093 -2.604 11.456 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.272 -3.334 9.535 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.921 -1.484 10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.648 -1.056 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.872 -1.478 11.901 1.00 0.00 H new ATOM 69 N GLU A 6 -2.273 -4.217 12.541 1.00 0.00 N ATOM 70 CA GLU A 6 -1.351 -5.083 13.255 1.00 0.00 C ATOM 71 C GLU A 6 -1.523 -6.533 12.798 1.00 0.00 C ATOM 72 O GLU A 6 -0.542 -7.216 12.507 1.00 0.00 O ATOM 73 CB GLU A 6 -1.542 -4.959 14.768 1.00 0.00 C ATOM 74 CG GLU A 6 -1.178 -6.265 15.476 1.00 0.00 C ATOM 75 CD GLU A 6 0.228 -6.727 15.085 1.00 0.00 C ATOM 76 OE1 GLU A 6 1.006 -5.859 14.635 1.00 0.00 O ATOM 77 OE2 GLU A 6 0.492 -7.939 15.244 1.00 0.00 O ATOM 0 H GLU A 6 -2.936 -3.718 13.134 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.334 -4.767 13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.922 -4.149 15.151 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.578 -4.699 14.987 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.232 -6.125 16.556 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.903 -7.037 15.218 1.00 0.00 H new ATOM 84 N LYS A 7 -2.776 -6.960 12.748 1.00 0.00 N ATOM 85 CA LYS A 7 -3.089 -8.316 12.332 1.00 0.00 C ATOM 86 C LYS A 7 -2.557 -8.545 10.915 1.00 0.00 C ATOM 87 O LYS A 7 -1.924 -9.564 10.644 1.00 0.00 O ATOM 88 CB LYS A 7 -4.587 -8.589 12.478 1.00 0.00 C ATOM 89 CG LYS A 7 -4.927 -10.020 12.054 1.00 0.00 C ATOM 90 CD LYS A 7 -5.301 -10.876 13.266 1.00 0.00 C ATOM 91 CE LYS A 7 -6.565 -11.693 12.991 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.226 -13.118 12.782 1.00 0.00 N ATOM 0 H LYS A 7 -3.587 -6.390 12.989 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.593 -9.038 12.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.890 -8.431 13.513 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.150 -7.882 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.754 -10.006 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.074 -10.463 11.540 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.477 -11.546 13.511 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.459 -10.235 14.133 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.257 -11.597 13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.074 -11.301 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.095 -13.658 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.583 -13.206 11.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.761 -13.493 13.633 1.00 0.00 H new ATOM 106 N LEU A 8 -2.834 -7.581 10.050 1.00 0.00 N ATOM 107 CA LEU A 8 -2.392 -7.664 8.669 1.00 0.00 C ATOM 108 C LEU A 8 -0.884 -7.919 8.636 1.00 0.00 C ATOM 109 O LEU A 8 -0.422 -8.850 7.977 1.00 0.00 O ATOM 110 CB LEU A 8 -2.823 -6.419 7.892 1.00 0.00 C ATOM 111 CG LEU A 8 -4.319 -6.296 7.598 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.571 -5.351 6.421 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.949 -7.672 7.372 1.00 0.00 C ATOM 0 H LEU A 8 -3.360 -6.737 10.279 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.869 -8.505 8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.510 -5.539 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.284 -6.402 6.945 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.803 -5.859 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.642 -5.282 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.179 -4.362 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.071 -5.736 5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.013 -7.556 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.466 -8.159 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.818 -8.283 8.265 1.00 0.00 H new ATOM 125 N VAL A 9 -0.157 -7.076 9.354 1.00 0.00 N ATOM 126 CA VAL A 9 1.289 -7.198 9.415 1.00 0.00 C ATOM 127 C VAL A 9 1.658 -8.602 9.898 1.00 0.00 C ATOM 128 O VAL A 9 2.484 -9.299 9.312 1.00 0.00 O ATOM 129 CB VAL A 9 1.871 -6.091 10.296 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.376 -6.283 10.495 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.567 -4.709 9.713 1.00 0.00 C ATOM 0 H VAL A 9 -0.543 -6.305 9.899 1.00 0.00 H new ATOM 0 HA VAL A 9 1.725 -7.070 8.424 1.00 0.00 H new ATOM 0 HB VAL A 9 1.393 -6.155 11.273 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.765 -5.483 11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.560 -7.244 10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.877 -6.259 9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.992 -3.940 10.359 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.005 -4.630 8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.488 -4.571 9.647 1.00 0.00 H new ATOM 141 N TYR A 10 1.018 -9.007 10.997 1.00 0.00 N ATOM 142 CA TYR A 10 1.257 -10.311 11.583 1.00 0.00 C ATOM 143 C TYR A 10 0.597 -11.387 10.732 1.00 0.00 C ATOM 144 O TYR A 10 0.743 -12.567 11.048 1.00 0.00 O ATOM 145 CB TYR A 10 0.710 -10.336 13.007 1.00 0.00 C ATOM 146 CG TYR A 10 1.411 -11.326 13.905 1.00 0.00 C ATOM 147 CD1 TYR A 10 2.537 -10.931 14.638 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.936 -12.639 14.006 1.00 0.00 C ATOM 149 CE1 TYR A 10 3.188 -11.850 15.470 1.00 0.00 C ATOM 150 CE2 TYR A 10 1.586 -13.557 14.838 1.00 0.00 C ATOM 151 CZ TYR A 10 2.713 -13.163 15.571 1.00 0.00 C ATOM 152 OH TYR A 10 3.347 -14.058 16.381 1.00 0.00 O ATOM 0 H TYR A 10 0.329 -8.442 11.494 1.00 0.00 H new ATOM 0 HA TYR A 10 2.328 -10.509 11.616 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.799 -9.339 13.439 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.353 -10.576 12.975 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.903 -9.918 14.562 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.067 -12.944 13.441 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.057 -11.546 16.034 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.219 -14.570 14.915 1.00 0.00 H new ATOM 0 HH TYR A 10 2.888 -14.923 16.336 1.00 0.00 H new ATOM 162 N LYS A 11 -0.104 -10.971 9.688 1.00 0.00 N ATOM 163 CA LYS A 11 -0.774 -11.917 8.812 1.00 0.00 C ATOM 164 C LYS A 11 0.071 -12.126 7.553 1.00 0.00 C ATOM 165 O LYS A 11 0.698 -13.163 7.353 1.00 0.00 O ATOM 166 CB LYS A 11 -2.205 -11.459 8.523 1.00 0.00 C ATOM 167 CG LYS A 11 -3.182 -12.032 9.551 1.00 0.00 C ATOM 168 CD LYS A 11 -3.608 -13.452 9.171 1.00 0.00 C ATOM 169 CE LYS A 11 -4.982 -13.450 8.497 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.231 -14.745 7.825 1.00 0.00 N ATOM 0 H LYS A 11 -0.223 -9.992 9.429 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.867 -12.888 9.299 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.252 -10.370 8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.497 -11.776 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.716 -12.040 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.061 -11.391 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.870 -13.889 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.637 -14.078 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.758 -13.264 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.036 -12.640 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.167 -14.727 7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.501 -14.907 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.200 -15.512 8.527 1.00 0.00 H new ATOM 184 N TYR A 12 0.071 -11.101 6.698 1.00 0.00 N ATOM 185 CA TYR A 12 0.820 -11.143 5.458 1.00 0.00 C ATOM 186 C TYR A 12 2.254 -11.573 5.735 1.00 0.00 C ATOM 187 O TYR A 12 2.912 -12.069 4.823 1.00 0.00 O ATOM 188 CB TYR A 12 0.786 -9.767 4.798 1.00 0.00 C ATOM 189 CG TYR A 12 -0.573 -9.392 4.258 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.965 -9.825 2.986 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.442 -8.610 5.029 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.225 -9.477 2.485 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.702 -8.262 4.528 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.094 -8.696 3.256 1.00 0.00 C ATOM 195 OH TYR A 12 -4.322 -8.358 2.768 1.00 0.00 O ATOM 0 H TYR A 12 -0.443 -10.233 6.850 1.00 0.00 H new ATOM 0 HA TYR A 12 0.369 -11.868 4.781 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.100 -9.017 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.510 -9.745 3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.295 -10.428 2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.140 -8.275 6.010 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.527 -9.811 1.503 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.372 -7.659 5.123 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.995 -8.978 3.118 1.00 0.00 H new ATOM 205 N THR A 13 2.704 -11.378 6.966 1.00 0.00 N ATOM 206 CA THR A 13 4.058 -11.753 7.335 1.00 0.00 C ATOM 207 C THR A 13 4.169 -13.271 7.487 1.00 0.00 C ATOM 208 O THR A 13 5.142 -13.875 7.037 1.00 0.00 O ATOM 209 CB THR A 13 4.431 -10.987 8.606 1.00 0.00 C ATOM 210 OG1 THR A 13 4.562 -9.636 8.171 1.00 0.00 O ATOM 211 CG2 THR A 13 5.826 -11.349 9.121 1.00 0.00 C ATOM 0 H THR A 13 2.155 -10.965 7.720 1.00 0.00 H new ATOM 0 HA THR A 13 4.769 -11.483 6.554 1.00 0.00 H new ATOM 0 HB THR A 13 3.693 -11.192 9.382 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.712 -9.167 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.040 -10.777 10.024 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.865 -12.414 9.348 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.568 -11.114 8.358 1.00 0.00 H new ATOM 219 N ASN A 14 3.157 -13.845 8.122 1.00 0.00 N ATOM 220 CA ASN A 14 3.128 -15.282 8.339 1.00 0.00 C ATOM 221 C ASN A 14 3.044 -15.995 6.988 1.00 0.00 C ATOM 222 O ASN A 14 3.832 -16.898 6.709 1.00 0.00 O ATOM 223 CB ASN A 14 1.908 -15.689 9.166 1.00 0.00 C ATOM 224 CG ASN A 14 2.322 -16.147 10.566 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.077 -15.484 11.561 1.00 0.00 O ATOM 226 ND2 ASN A 14 2.961 -17.313 10.588 1.00 0.00 N ATOM 0 H ASN A 14 2.351 -13.341 8.493 1.00 0.00 H new ATOM 0 HA ASN A 14 4.035 -15.561 8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.220 -14.847 9.244 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.373 -16.493 8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.279 -17.704 11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.134 -17.816 9.718 1.00 0.00 H new ATOM 233 N ILE A 15 2.082 -15.564 6.186 1.00 0.00 N ATOM 234 CA ILE A 15 1.884 -16.150 4.872 1.00 0.00 C ATOM 235 C ILE A 15 3.206 -16.124 4.102 1.00 0.00 C ATOM 236 O ILE A 15 3.597 -17.120 3.496 1.00 0.00 O ATOM 237 CB ILE A 15 0.734 -15.455 4.142 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.619 -15.985 4.620 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.893 -15.575 2.625 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.636 -14.850 4.758 1.00 0.00 C ATOM 0 H ILE A 15 1.431 -14.815 6.421 1.00 0.00 H new ATOM 0 HA ILE A 15 1.587 -17.195 4.963 1.00 0.00 H new ATOM 0 HB ILE A 15 0.768 -14.393 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.992 -16.728 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.498 -16.488 5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.062 -15.072 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.831 -15.111 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.900 -16.628 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.589 -15.255 5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.272 -14.121 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.773 -14.365 3.792 1.00 0.00 H new ATOM 252 N ALA A 16 3.859 -14.972 4.151 1.00 0.00 N ATOM 253 CA ALA A 16 5.129 -14.802 3.466 1.00 0.00 C ATOM 254 C ALA A 16 6.136 -15.818 4.008 1.00 0.00 C ATOM 255 O ALA A 16 6.777 -16.534 3.239 1.00 0.00 O ATOM 256 CB ALA A 16 5.610 -13.359 3.633 1.00 0.00 C ATOM 0 H ALA A 16 3.532 -14.147 4.655 1.00 0.00 H new ATOM 0 HA ALA A 16 5.016 -14.987 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.563 -13.231 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.873 -12.678 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.737 -13.138 4.693 1.00 0.00 H new ATOM 262 N HIS A 17 6.245 -15.850 5.328 1.00 0.00 N ATOM 263 CA HIS A 17 7.163 -16.767 5.982 1.00 0.00 C ATOM 264 C HIS A 17 6.821 -18.204 5.587 1.00 0.00 C ATOM 265 O HIS A 17 7.704 -19.056 5.501 1.00 0.00 O ATOM 266 CB HIS A 17 7.159 -16.551 7.497 1.00 0.00 C ATOM 267 CG HIS A 17 8.026 -17.525 8.258 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.407 -17.438 8.283 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.694 -18.606 9.020 1.00 0.00 C ATOM 270 CE1 HIS A 17 9.875 -18.428 9.030 1.00 0.00 C ATOM 271 NE2 HIS A 17 8.812 -19.151 9.485 1.00 0.00 N ATOM 0 H HIS A 17 5.712 -15.255 5.963 1.00 0.00 H new ATOM 0 HA HIS A 17 8.181 -16.568 5.648 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.496 -15.537 7.710 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.135 -16.630 7.862 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.969 -16.732 7.807 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.692 -18.959 9.213 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.915 -18.627 9.241 1.00 0.00 H new ATOM 279 N SER A 18 5.536 -18.431 5.356 1.00 0.00 N ATOM 280 CA SER A 18 5.065 -19.751 4.972 1.00 0.00 C ATOM 281 C SER A 18 5.492 -20.061 3.536 1.00 0.00 C ATOM 282 O SER A 18 5.483 -21.218 3.118 1.00 0.00 O ATOM 283 CB SER A 18 3.545 -19.855 5.109 1.00 0.00 C ATOM 284 OG SER A 18 3.059 -21.132 4.702 1.00 0.00 O ATOM 0 H SER A 18 4.806 -17.722 5.427 1.00 0.00 H new ATOM 0 HA SER A 18 5.513 -20.483 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.261 -19.672 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.073 -19.079 4.507 1.00 0.00 H new ATOM 0 HG SER A 18 2.085 -21.160 4.806 1.00 0.00 H new ATOM 290 N ALA A 19 5.855 -19.007 2.820 1.00 0.00 N ATOM 291 CA ALA A 19 6.284 -19.152 1.439 1.00 0.00 C ATOM 292 C ALA A 19 7.806 -19.013 1.365 1.00 0.00 C ATOM 293 O ALA A 19 8.457 -19.688 0.569 1.00 0.00 O ATOM 294 CB ALA A 19 5.562 -18.121 0.569 1.00 0.00 C ATOM 0 H ALA A 19 5.861 -18.049 3.170 1.00 0.00 H new ATOM 0 HA ALA A 19 6.024 -20.140 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.884 -18.230 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.486 -18.281 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.802 -17.117 0.920 1.00 0.00 H new ATOM 300 N ASN A 20 8.330 -18.133 2.207 1.00 0.00 N ATOM 301 CA ASN A 20 9.763 -17.897 2.247 1.00 0.00 C ATOM 302 C ASN A 20 10.218 -17.797 3.704 1.00 0.00 C ATOM 303 O ASN A 20 10.187 -16.738 4.326 1.00 0.00 O ATOM 304 CB ASN A 20 10.125 -16.586 1.547 1.00 0.00 C ATOM 305 CG ASN A 20 10.797 -16.851 0.198 1.00 0.00 C ATOM 306 OD1 ASN A 20 10.461 -16.267 -0.818 1.00 0.00 O ATOM 307 ND2 ASN A 20 11.764 -17.764 0.246 1.00 0.00 N ATOM 0 H ASN A 20 7.787 -17.575 2.866 1.00 0.00 H new ATOM 0 HA ASN A 20 10.256 -18.725 1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.225 -15.989 1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.793 -16.003 2.182 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.274 -18.012 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.995 -18.216 1.131 1.00 0.00 H new ATOM 314 N PRO A 21 10.649 -18.941 4.240 1.00 0.00 N ATOM 315 CA PRO A 21 11.126 -19.076 5.600 1.00 0.00 C ATOM 316 C PRO A 21 12.123 -17.967 5.903 1.00 0.00 C ATOM 317 O PRO A 21 12.327 -17.655 7.075 1.00 0.00 O ATOM 318 CB PRO A 21 11.801 -20.445 5.644 1.00 0.00 C ATOM 319 CG PRO A 21 11.036 -21.239 4.609 1.00 0.00 C ATOM 320 CD PRO A 21 10.699 -20.205 3.537 1.00 0.00 C ATOM 0 HA PRO A 21 10.329 -18.999 6.339 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.861 -20.380 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.730 -20.898 6.633 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.637 -22.054 4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.136 -21.686 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.454 -20.190 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.746 -20.429 3.058 1.00 0.00 H new ATOM 328 N MET A 22 12.717 -17.401 4.862 1.00 0.00 N ATOM 329 CA MET A 22 13.686 -16.334 5.042 1.00 0.00 C ATOM 330 C MET A 22 13.019 -15.074 5.598 1.00 0.00 C ATOM 331 O MET A 22 13.530 -14.404 6.492 1.00 0.00 O ATOM 332 CB MET A 22 14.347 -16.012 3.700 1.00 0.00 C ATOM 333 CG MET A 22 14.959 -17.267 3.076 1.00 0.00 C ATOM 334 SD MET A 22 16.724 -17.065 2.904 1.00 0.00 S ATOM 335 CE MET A 22 17.273 -17.827 4.422 1.00 0.00 C ATOM 0 H MET A 22 12.545 -17.662 3.891 1.00 0.00 H new ATOM 0 HA MET A 22 14.438 -16.669 5.756 1.00 0.00 H new ATOM 0 HB2 MET A 22 13.609 -15.586 3.020 1.00 0.00 H new ATOM 0 HB3 MET A 22 15.121 -15.258 3.843 1.00 0.00 H new ATOM 0 HG2 MET A 22 14.743 -18.135 3.699 1.00 0.00 H new ATOM 0 HG3 MET A 22 14.509 -17.455 2.101 1.00 0.00 H new ATOM 0 HE1 MET A 22 18.361 -17.787 4.477 1.00 0.00 H new ATOM 0 HE2 MET A 22 16.847 -17.293 5.272 1.00 0.00 H new ATOM 0 HE3 MET A 22 16.947 -18.867 4.446 1.00 0.00 H new ATOM 345 N TYR A 23 11.847 -14.764 5.039 1.00 0.00 N ATOM 346 CA TYR A 23 11.089 -13.600 5.452 1.00 0.00 C ATOM 347 C TYR A 23 10.418 -13.870 6.791 1.00 0.00 C ATOM 348 O TYR A 23 9.581 -14.768 6.867 1.00 0.00 O ATOM 349 CB TYR A 23 10.051 -13.266 4.385 1.00 0.00 C ATOM 350 CG TYR A 23 9.470 -11.879 4.523 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.123 -10.785 3.941 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.278 -11.686 5.231 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.584 -9.499 4.070 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.739 -10.401 5.359 1.00 0.00 C ATOM 355 CZ TYR A 23 8.392 -9.307 4.779 1.00 0.00 C ATOM 356 OH TYR A 23 7.868 -8.054 4.904 1.00 0.00 O ATOM 0 H TYR A 23 11.408 -15.310 4.298 1.00 0.00 H new ATOM 0 HA TYR A 23 11.758 -12.748 5.569 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.509 -13.363 3.401 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.243 -13.996 4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.042 -10.933 3.393 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.774 -12.530 5.679 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.088 -8.655 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.819 -10.253 5.905 1.00 0.00 H new ATOM 0 HH TYR A 23 7.039 -8.097 5.424 1.00 0.00 H new ATOM 366 N GLU A 24 10.789 -13.102 7.806 1.00 0.00 N ATOM 367 CA GLU A 24 10.210 -13.277 9.127 1.00 0.00 C ATOM 368 C GLU A 24 9.446 -12.018 9.542 1.00 0.00 C ATOM 369 O GLU A 24 8.341 -12.106 10.076 1.00 0.00 O ATOM 370 CB GLU A 24 11.286 -13.629 10.156 1.00 0.00 C ATOM 371 CG GLU A 24 11.984 -14.941 9.792 1.00 0.00 C ATOM 372 CD GLU A 24 11.814 -15.979 10.903 1.00 0.00 C ATOM 373 OE1 GLU A 24 11.606 -15.546 12.057 1.00 0.00 O ATOM 374 OE2 GLU A 24 11.896 -17.182 10.573 1.00 0.00 O ATOM 0 H GLU A 24 11.483 -12.358 7.740 1.00 0.00 H new ATOM 0 HA GLU A 24 9.507 -14.109 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.020 -12.825 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.835 -13.715 11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.573 -15.330 8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.045 -14.757 9.620 1.00 0.00 H new ATOM 381 N ALA A 25 10.064 -10.876 9.281 1.00 0.00 N ATOM 382 CA ALA A 25 9.456 -9.601 9.620 1.00 0.00 C ATOM 383 C ALA A 25 9.546 -8.661 8.417 1.00 0.00 C ATOM 384 O ALA A 25 10.249 -8.915 7.441 1.00 0.00 O ATOM 385 CB ALA A 25 10.138 -9.025 10.863 1.00 0.00 C ATOM 0 H ALA A 25 10.980 -10.807 8.838 1.00 0.00 H new ATOM 0 HA ALA A 25 8.400 -9.731 9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.682 -8.068 11.118 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.019 -9.717 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.199 -8.879 10.661 1.00 0.00 H new ATOM 391 N PRO A 26 8.808 -7.552 8.510 1.00 0.00 N ATOM 392 CA PRO A 26 8.744 -6.527 7.491 1.00 0.00 C ATOM 393 C PRO A 26 9.769 -5.443 7.793 1.00 0.00 C ATOM 394 O PRO A 26 10.417 -5.512 8.837 1.00 0.00 O ATOM 395 CB PRO A 26 7.322 -5.976 7.578 1.00 0.00 C ATOM 396 CG PRO A 26 7.017 -6.146 9.126 1.00 0.00 C ATOM 397 CD PRO A 26 7.970 -7.221 9.642 1.00 0.00 C ATOM 0 HA PRO A 26 8.966 -6.906 6.493 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.264 -4.935 7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.624 -6.538 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 26 7.169 -5.206 9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.979 -6.438 9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.564 -6.853 10.479 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.424 -8.095 9.998 1.00 0.00 H new ATOM 405 N SER A 27 9.897 -4.479 6.893 1.00 0.00 N ATOM 406 CA SER A 27 10.848 -3.397 7.085 1.00 0.00 C ATOM 407 C SER A 27 10.209 -2.063 6.693 1.00 0.00 C ATOM 408 O SER A 27 9.549 -1.967 5.659 1.00 0.00 O ATOM 409 CB SER A 27 12.123 -3.634 6.274 1.00 0.00 C ATOM 410 OG SER A 27 13.295 -3.520 7.076 1.00 0.00 O ATOM 0 H SER A 27 9.358 -4.425 6.029 1.00 0.00 H new ATOM 0 HA SER A 27 11.122 -3.365 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.087 -4.626 5.824 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.172 -2.915 5.457 1.00 0.00 H new ATOM 0 HG SER A 27 14.087 -3.680 6.522 1.00 0.00 H new ATOM 416 N ILE A 28 10.429 -1.067 7.538 1.00 0.00 N ATOM 417 CA ILE A 28 9.884 0.257 7.292 1.00 0.00 C ATOM 418 C ILE A 28 10.914 1.096 6.532 1.00 0.00 C ATOM 419 O ILE A 28 11.056 2.291 6.787 1.00 0.00 O ATOM 420 CB ILE A 28 9.416 0.896 8.601 1.00 0.00 C ATOM 421 CG1 ILE A 28 8.221 0.139 9.185 1.00 0.00 C ATOM 422 CG2 ILE A 28 9.113 2.383 8.409 1.00 0.00 C ATOM 423 CD1 ILE A 28 8.467 -0.229 10.649 1.00 0.00 C ATOM 0 H ILE A 28 10.977 -1.150 8.394 1.00 0.00 H new ATOM 0 HA ILE A 28 8.998 0.192 6.661 1.00 0.00 H new ATOM 0 HB ILE A 28 10.228 0.824 9.324 1.00 0.00 H new ATOM 0 HG12 ILE A 28 7.324 0.753 9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.040 -0.766 8.604 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.782 2.812 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.013 2.897 8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.327 2.501 7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.603 -0.766 11.039 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.351 -0.863 10.721 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.623 0.679 11.231 1.00 0.00 H new ATOM 435 N THR A 29 11.606 0.436 5.615 1.00 0.00 N ATOM 436 CA THR A 29 12.619 1.106 4.817 1.00 0.00 C ATOM 437 C THR A 29 12.705 0.474 3.426 1.00 0.00 C ATOM 438 O THR A 29 13.786 0.391 2.845 1.00 0.00 O ATOM 439 CB THR A 29 13.938 1.057 5.590 1.00 0.00 C ATOM 440 OG1 THR A 29 13.698 1.865 6.739 1.00 0.00 O ATOM 441 CG2 THR A 29 15.072 1.778 4.859 1.00 0.00 C ATOM 0 H THR A 29 11.485 -0.555 5.407 1.00 0.00 H new ATOM 0 HA THR A 29 12.363 2.152 4.649 1.00 0.00 H new ATOM 0 HB THR A 29 14.219 0.018 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.841 2.329 6.639 1.00 0.00 H new ATOM 0 HG21 THR A 29 15.985 1.713 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.235 1.310 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.805 2.825 4.717 1.00 0.00 H new ATOM 449 N ASP A 30 11.553 0.045 2.933 1.00 0.00 N ATOM 450 CA ASP A 30 11.485 -0.576 1.622 1.00 0.00 C ATOM 451 C ASP A 30 10.263 -0.042 0.872 1.00 0.00 C ATOM 452 O ASP A 30 10.372 0.382 -0.277 1.00 0.00 O ATOM 453 CB ASP A 30 11.342 -2.095 1.739 1.00 0.00 C ATOM 454 CG ASP A 30 11.058 -2.821 0.422 1.00 0.00 C ATOM 455 OD1 ASP A 30 11.943 -2.767 -0.458 1.00 0.00 O ATOM 456 OD2 ASP A 30 9.961 -3.413 0.326 1.00 0.00 O ATOM 0 H ASP A 30 10.659 0.115 3.418 1.00 0.00 H new ATOM 0 HA ASP A 30 12.406 -0.341 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.258 -2.499 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.537 -2.316 2.439 1.00 0.00 H new ATOM 461 N GLY A 31 9.127 -0.082 1.553 1.00 0.00 N ATOM 462 CA GLY A 31 7.886 0.393 0.965 1.00 0.00 C ATOM 463 C GLY A 31 8.120 1.653 0.131 1.00 0.00 C ATOM 464 O GLY A 31 7.506 1.831 -0.920 1.00 0.00 O ATOM 0 H GLY A 31 9.040 -0.436 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.455 -0.387 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.163 0.604 1.753 1.00 0.00 H new ATOM 468 N LYS A 32 9.012 2.497 0.630 1.00 0.00 N ATOM 469 CA LYS A 32 9.335 3.737 -0.056 1.00 0.00 C ATOM 470 C LYS A 32 9.693 3.430 -1.512 1.00 0.00 C ATOM 471 O LYS A 32 8.921 3.729 -2.421 1.00 0.00 O ATOM 472 CB LYS A 32 10.427 4.497 0.699 1.00 0.00 C ATOM 473 CG LYS A 32 9.828 5.629 1.536 1.00 0.00 C ATOM 474 CD LYS A 32 9.298 6.751 0.642 1.00 0.00 C ATOM 475 CE LYS A 32 9.773 8.118 1.138 1.00 0.00 C ATOM 476 NZ LYS A 32 8.750 8.738 2.009 1.00 0.00 N ATOM 0 H LYS A 32 9.521 2.346 1.501 1.00 0.00 H new ATOM 0 HA LYS A 32 8.470 4.401 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.972 3.810 1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.147 4.906 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.020 5.240 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.585 6.025 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.635 6.595 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.208 6.724 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.708 8.007 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.978 8.769 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.089 9.665 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.867 8.861 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.574 8.124 2.830 1.00 0.00 H new ATOM 490 N ILE A 33 10.865 2.837 -1.687 1.00 0.00 N ATOM 491 CA ILE A 33 11.335 2.487 -3.017 1.00 0.00 C ATOM 492 C ILE A 33 10.207 1.796 -3.786 1.00 0.00 C ATOM 493 O ILE A 33 9.818 2.246 -4.862 1.00 0.00 O ATOM 494 CB ILE A 33 12.618 1.659 -2.931 1.00 0.00 C ATOM 495 CG1 ILE A 33 13.790 2.512 -2.439 1.00 0.00 C ATOM 496 CG2 ILE A 33 12.924 0.981 -4.268 1.00 0.00 C ATOM 497 CD1 ILE A 33 14.780 1.670 -1.631 1.00 0.00 C ATOM 0 H ILE A 33 11.503 2.590 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 33 11.600 3.384 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 33 12.465 0.868 -2.197 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.300 2.962 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.416 3.330 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.841 0.399 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.100 0.321 -4.538 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.049 1.740 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.603 2.300 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.273 1.242 -0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.171 0.868 -2.257 1.00 0.00 H new ATOM 509 N PHE A 34 9.714 0.714 -3.203 1.00 0.00 N ATOM 510 CA PHE A 34 8.638 -0.044 -3.819 1.00 0.00 C ATOM 511 C PHE A 34 7.438 0.855 -4.123 1.00 0.00 C ATOM 512 O PHE A 34 6.573 0.494 -4.920 1.00 0.00 O ATOM 513 CB PHE A 34 8.215 -1.119 -2.816 1.00 0.00 C ATOM 514 CG PHE A 34 6.910 -1.830 -3.179 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.825 -2.549 -4.331 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.835 -1.745 -2.350 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.614 -3.209 -4.668 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.624 -2.405 -2.687 1.00 0.00 C ATOM 519 CZ PHE A 34 4.539 -3.124 -3.839 1.00 0.00 C ATOM 0 H PHE A 34 10.040 0.344 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 34 8.980 -0.478 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.010 -1.860 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.106 -0.661 -1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.679 -2.618 -4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.903 -1.175 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.546 -3.779 -5.583 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.770 -2.336 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.618 -3.627 -4.095 1.00 0.00 H new ATOM 529 N PHE A 35 7.423 2.008 -3.471 1.00 0.00 N ATOM 530 CA PHE A 35 6.343 2.961 -3.661 1.00 0.00 C ATOM 531 C PHE A 35 6.840 4.217 -4.380 1.00 0.00 C ATOM 532 O PHE A 35 6.084 5.169 -4.568 1.00 0.00 O ATOM 533 CB PHE A 35 5.840 3.351 -2.269 1.00 0.00 C ATOM 534 CG PHE A 35 4.752 4.425 -2.279 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.484 4.106 -2.656 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.050 5.700 -1.911 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.474 5.103 -2.665 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.040 6.697 -1.920 1.00 0.00 C ATOM 539 CZ PHE A 35 2.773 6.378 -2.297 1.00 0.00 C ATOM 0 H PHE A 35 8.142 2.304 -2.810 1.00 0.00 H new ATOM 0 HA PHE A 35 5.556 2.514 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.454 2.462 -1.771 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.682 3.707 -1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.246 3.094 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.056 5.954 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.468 4.849 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.278 7.709 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.004 7.137 -2.304 1.00 0.00 H new ATOM 549 N ASN A 36 8.108 4.178 -4.763 1.00 0.00 N ATOM 550 CA ASN A 36 8.715 5.300 -5.458 1.00 0.00 C ATOM 551 C ASN A 36 9.626 4.775 -6.569 1.00 0.00 C ATOM 552 O ASN A 36 10.556 5.460 -6.990 1.00 0.00 O ATOM 553 CB ASN A 36 9.567 6.142 -4.506 1.00 0.00 C ATOM 554 CG ASN A 36 8.699 6.809 -3.437 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.482 6.731 -3.452 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.391 7.469 -2.513 1.00 0.00 N ATOM 0 H ASN A 36 8.732 3.386 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 36 7.914 5.916 -5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.317 5.511 -4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.104 6.904 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.903 7.950 -1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.410 7.494 -2.560 1.00 0.00 H new ATOM 563 N ARG A 37 9.326 3.562 -7.012 1.00 0.00 N ATOM 564 CA ARG A 37 10.107 2.937 -8.066 1.00 0.00 C ATOM 565 C ARG A 37 9.341 2.980 -9.390 1.00 0.00 C ATOM 566 O ARG A 37 8.472 2.145 -9.637 1.00 0.00 O ATOM 567 CB ARG A 37 10.433 1.483 -7.721 1.00 0.00 C ATOM 568 CG ARG A 37 11.558 0.948 -8.609 1.00 0.00 C ATOM 569 CD ARG A 37 12.755 0.500 -7.768 1.00 0.00 C ATOM 570 NE ARG A 37 13.885 0.132 -8.651 1.00 0.00 N ATOM 571 CZ ARG A 37 14.737 1.015 -9.189 1.00 0.00 C ATOM 572 NH1 ARG A 37 14.593 2.323 -8.937 1.00 0.00 N ATOM 573 NH2 ARG A 37 15.733 0.590 -9.978 1.00 0.00 N ATOM 0 H ARG A 37 8.554 2.996 -6.660 1.00 0.00 H new ATOM 0 HA ARG A 37 11.039 3.493 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.726 1.411 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.542 0.867 -7.846 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.191 0.110 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.871 1.721 -9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.056 1.301 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.476 -0.351 -7.147 1.00 0.00 H new ATOM 0 HE ARG A 37 14.024 -0.856 -8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.835 2.646 -8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.241 2.996 -9.346 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.843 -0.406 -10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.382 1.262 -10.388 1.00 0.00 H new ATOM 587 N LYS A 38 9.692 3.962 -10.208 1.00 0.00 N ATOM 588 CA LYS A 38 9.049 4.125 -11.501 1.00 0.00 C ATOM 589 C LYS A 38 9.090 2.796 -12.257 1.00 0.00 C ATOM 590 O LYS A 38 10.072 2.491 -12.932 1.00 0.00 O ATOM 591 CB LYS A 38 9.677 5.289 -12.269 1.00 0.00 C ATOM 592 CG LYS A 38 9.100 5.388 -13.683 1.00 0.00 C ATOM 593 CD LYS A 38 8.037 6.485 -13.766 1.00 0.00 C ATOM 594 CE LYS A 38 8.666 7.871 -13.608 1.00 0.00 C ATOM 595 NZ LYS A 38 9.783 8.045 -14.563 1.00 0.00 N ATOM 0 H LYS A 38 10.413 4.653 -10.000 1.00 0.00 H new ATOM 0 HA LYS A 38 7.999 4.388 -11.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.498 6.221 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.757 5.154 -12.322 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.901 5.598 -14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.663 4.431 -13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.520 6.423 -14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.288 6.331 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.912 8.640 -13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.029 7.998 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.987 9.058 -14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.629 7.561 -14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.519 7.639 -15.483 1.00 0.00 H new ATOM 609 N PHE A 39 8.011 2.039 -12.119 1.00 0.00 N ATOM 610 CA PHE A 39 7.911 0.749 -12.781 1.00 0.00 C ATOM 611 C PHE A 39 7.066 0.850 -14.052 1.00 0.00 C ATOM 612 O PHE A 39 6.324 1.814 -14.235 1.00 0.00 O ATOM 613 CB PHE A 39 7.225 -0.204 -11.801 1.00 0.00 C ATOM 614 CG PHE A 39 5.871 0.294 -11.291 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.767 0.188 -12.078 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.772 0.845 -10.051 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.511 0.650 -11.605 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.516 1.307 -9.578 1.00 0.00 C ATOM 619 CZ PHE A 39 3.412 1.201 -10.366 1.00 0.00 C ATOM 0 H PHE A 39 7.198 2.294 -11.558 1.00 0.00 H new ATOM 0 HA PHE A 39 8.903 0.397 -13.063 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.085 -1.170 -12.287 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.884 -0.368 -10.949 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.846 -0.248 -13.063 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.649 0.931 -9.427 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.634 0.564 -12.229 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.437 1.743 -8.593 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.457 1.555 -10.007 1.00 0.00 H new ATOM 629 N LYS A 40 7.206 -0.160 -14.899 1.00 0.00 N ATOM 630 CA LYS A 40 6.465 -0.198 -16.148 1.00 0.00 C ATOM 631 C LYS A 40 5.362 -1.253 -16.050 1.00 0.00 C ATOM 632 O LYS A 40 5.540 -2.284 -15.403 1.00 0.00 O ATOM 633 CB LYS A 40 7.415 -0.410 -17.329 1.00 0.00 C ATOM 634 CG LYS A 40 8.333 0.800 -17.518 1.00 0.00 C ATOM 635 CD LYS A 40 8.807 0.907 -18.969 1.00 0.00 C ATOM 636 CE LYS A 40 9.848 2.016 -19.125 1.00 0.00 C ATOM 637 NZ LYS A 40 9.672 2.714 -20.418 1.00 0.00 N ATOM 0 H LYS A 40 7.822 -0.958 -14.744 1.00 0.00 H new ATOM 0 HA LYS A 40 5.976 0.759 -16.330 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.016 -1.304 -17.161 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.838 -0.579 -18.238 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.804 1.710 -17.237 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.194 0.715 -16.856 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.233 -0.044 -19.287 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.956 1.108 -19.619 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.755 2.728 -18.305 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.851 1.592 -19.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.387 3.464 -20.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.783 2.034 -21.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.722 3.135 -20.459 1.00 0.00 H new ATOM 651 N THR A 41 4.246 -0.959 -16.700 1.00 0.00 N ATOM 652 CA THR A 41 3.114 -1.869 -16.694 1.00 0.00 C ATOM 653 C THR A 41 3.073 -2.679 -17.992 1.00 0.00 C ATOM 654 O THR A 41 3.555 -2.256 -19.040 1.00 0.00 O ATOM 655 CB THR A 41 1.847 -1.046 -16.452 1.00 0.00 C ATOM 656 OG1 THR A 41 1.670 -0.316 -17.663 1.00 0.00 O ATOM 657 CG2 THR A 41 2.045 0.036 -15.390 1.00 0.00 C ATOM 0 H THR A 41 4.102 -0.103 -17.235 1.00 0.00 H new ATOM 0 HA THR A 41 3.201 -2.603 -15.892 1.00 0.00 H new ATOM 0 HB THR A 41 1.037 -1.709 -16.147 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.770 0.642 -17.485 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.116 0.590 -15.257 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.328 -0.429 -14.446 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.832 0.719 -15.709 1.00 0.00 H new ATOM 665 N PRO A 42 2.480 -3.871 -17.894 1.00 0.00 N ATOM 666 CA PRO A 42 2.329 -4.799 -18.994 1.00 0.00 C ATOM 667 C PRO A 42 1.425 -4.190 -20.056 1.00 0.00 C ATOM 668 O PRO A 42 1.303 -4.769 -21.135 1.00 0.00 O ATOM 669 CB PRO A 42 1.687 -6.039 -18.375 1.00 0.00 C ATOM 670 CG PRO A 42 0.891 -5.444 -17.141 1.00 0.00 C ATOM 671 CD PRO A 42 1.904 -4.400 -16.677 1.00 0.00 C ATOM 0 HA PRO A 42 3.275 -5.038 -19.480 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.025 -6.545 -19.078 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.435 -6.767 -18.061 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.064 -5.004 -17.430 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.679 -6.192 -16.377 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.423 -3.615 -16.094 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.668 -4.847 -16.040 1.00 0.00 H new ATOM 679 N SER A 43 0.819 -3.055 -19.740 1.00 0.00 N ATOM 680 CA SER A 43 -0.066 -2.392 -20.682 1.00 0.00 C ATOM 681 C SER A 43 0.655 -1.212 -21.337 1.00 0.00 C ATOM 682 O SER A 43 0.036 -0.196 -21.647 1.00 0.00 O ATOM 683 CB SER A 43 -1.346 -1.915 -19.993 1.00 0.00 C ATOM 684 OG SER A 43 -1.205 -0.605 -19.452 1.00 0.00 O ATOM 0 H SER A 43 0.924 -2.578 -18.845 1.00 0.00 H new ATOM 0 HA SER A 43 -0.346 -3.111 -21.452 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.168 -1.925 -20.709 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.609 -2.610 -19.196 1.00 0.00 H new ATOM 0 HG SER A 43 -0.990 0.025 -20.171 1.00 0.00 H new ATOM 690 N GLY A 44 1.955 -1.387 -21.528 1.00 0.00 N ATOM 691 CA GLY A 44 2.767 -0.349 -22.140 1.00 0.00 C ATOM 692 C GLY A 44 2.394 1.032 -21.597 1.00 0.00 C ATOM 693 O GLY A 44 1.699 1.797 -22.263 1.00 0.00 O ATOM 0 H GLY A 44 2.465 -2.232 -21.270 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.821 -0.547 -21.947 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.632 -0.367 -23.221 1.00 0.00 H new ATOM 697 N LYS A 45 2.872 1.308 -20.392 1.00 0.00 N ATOM 698 CA LYS A 45 2.596 2.583 -19.752 1.00 0.00 C ATOM 699 C LYS A 45 3.245 2.603 -18.366 1.00 0.00 C ATOM 700 O LYS A 45 2.831 1.867 -17.472 1.00 0.00 O ATOM 701 CB LYS A 45 1.092 2.858 -19.730 1.00 0.00 C ATOM 702 CG LYS A 45 0.772 4.093 -18.886 1.00 0.00 C ATOM 703 CD LYS A 45 0.312 5.256 -19.767 1.00 0.00 C ATOM 704 CE LYS A 45 -0.799 6.056 -19.084 1.00 0.00 C ATOM 705 NZ LYS A 45 -0.425 7.485 -18.991 1.00 0.00 N ATOM 0 H LYS A 45 3.448 0.671 -19.842 1.00 0.00 H new ATOM 0 HA LYS A 45 3.037 3.399 -20.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.731 3.005 -20.748 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.566 1.992 -19.328 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.006 3.851 -18.162 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.655 4.389 -18.319 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.157 5.910 -19.982 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.046 4.873 -20.723 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.728 5.953 -19.645 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.983 5.656 -18.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.189 8.014 -18.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.450 7.580 -18.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.272 7.867 -19.946 1.00 0.00 H new ATOM 719 N GLU A 46 4.251 3.455 -18.232 1.00 0.00 N ATOM 720 CA GLU A 46 4.961 3.581 -16.970 1.00 0.00 C ATOM 721 C GLU A 46 4.059 4.226 -15.915 1.00 0.00 C ATOM 722 O GLU A 46 3.153 4.987 -16.250 1.00 0.00 O ATOM 723 CB GLU A 46 6.255 4.379 -17.146 1.00 0.00 C ATOM 724 CG GLU A 46 5.956 5.830 -17.530 1.00 0.00 C ATOM 725 CD GLU A 46 5.912 5.997 -19.050 1.00 0.00 C ATOM 726 OE1 GLU A 46 6.757 5.359 -19.716 1.00 0.00 O ATOM 727 OE2 GLU A 46 5.036 6.758 -19.512 1.00 0.00 O ATOM 0 H GLU A 46 4.591 4.064 -18.976 1.00 0.00 H new ATOM 0 HA GLU A 46 5.232 2.582 -16.627 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.830 4.355 -16.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.871 3.915 -17.916 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.002 6.135 -17.099 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.719 6.486 -17.110 1.00 0.00 H new ATOM 734 N ALA A 47 4.338 3.897 -14.663 1.00 0.00 N ATOM 735 CA ALA A 47 3.563 4.434 -13.557 1.00 0.00 C ATOM 736 C ALA A 47 4.332 4.223 -12.252 1.00 0.00 C ATOM 737 O ALA A 47 5.411 3.632 -12.250 1.00 0.00 O ATOM 738 CB ALA A 47 2.183 3.775 -13.534 1.00 0.00 C ATOM 0 H ALA A 47 5.090 3.265 -14.389 1.00 0.00 H new ATOM 0 HA ALA A 47 3.410 5.506 -13.680 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.601 4.177 -12.705 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.667 3.979 -14.472 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.296 2.698 -13.409 1.00 0.00 H new ATOM 744 N ALA A 48 3.747 4.720 -11.171 1.00 0.00 N ATOM 745 CA ALA A 48 4.364 4.593 -9.862 1.00 0.00 C ATOM 746 C ALA A 48 3.290 4.737 -8.781 1.00 0.00 C ATOM 747 O ALA A 48 2.242 5.335 -9.018 1.00 0.00 O ATOM 748 CB ALA A 48 5.477 5.633 -9.719 1.00 0.00 C ATOM 0 H ALA A 48 2.853 5.211 -11.176 1.00 0.00 H new ATOM 0 HA ALA A 48 4.820 3.610 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.940 5.538 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.228 5.470 -10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.057 6.633 -9.827 1.00 0.00 H new ATOM 754 N CYS A 49 3.589 4.178 -7.617 1.00 0.00 N ATOM 755 CA CYS A 49 2.662 4.236 -6.500 1.00 0.00 C ATOM 756 C CYS A 49 2.621 5.676 -5.984 1.00 0.00 C ATOM 757 O CYS A 49 1.796 6.013 -5.137 1.00 0.00 O ATOM 758 CB CYS A 49 3.042 3.246 -5.397 1.00 0.00 C ATOM 759 SG CYS A 49 3.318 1.529 -5.969 1.00 0.00 S ATOM 0 H CYS A 49 4.460 3.683 -7.424 1.00 0.00 H new ATOM 0 HA CYS A 49 1.667 3.942 -6.835 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.948 3.601 -4.906 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.253 3.241 -4.645 1.00 0.00 H new ATOM 764 N ALA A 50 3.523 6.487 -6.516 1.00 0.00 N ATOM 765 CA ALA A 50 3.601 7.883 -6.121 1.00 0.00 C ATOM 766 C ALA A 50 3.049 8.759 -7.247 1.00 0.00 C ATOM 767 O ALA A 50 3.086 9.986 -7.159 1.00 0.00 O ATOM 768 CB ALA A 50 5.047 8.233 -5.765 1.00 0.00 C ATOM 0 H ALA A 50 4.207 6.204 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 50 2.994 8.065 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.105 9.280 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.381 7.603 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.686 8.065 -6.632 1.00 0.00 H new ATOM 774 N SER A 51 2.550 8.096 -8.279 1.00 0.00 N ATOM 775 CA SER A 51 1.991 8.800 -9.421 1.00 0.00 C ATOM 776 C SER A 51 0.539 9.189 -9.137 1.00 0.00 C ATOM 777 O SER A 51 -0.014 10.065 -9.800 1.00 0.00 O ATOM 778 CB SER A 51 2.073 7.945 -10.688 1.00 0.00 C ATOM 779 OG SER A 51 2.927 8.527 -11.670 1.00 0.00 O ATOM 0 H SER A 51 2.521 7.079 -8.349 1.00 0.00 H new ATOM 0 HA SER A 51 2.577 9.704 -9.586 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.440 6.951 -10.432 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.074 7.818 -11.105 1.00 0.00 H new ATOM 0 HG SER A 51 2.954 7.951 -12.462 1.00 0.00 H new ATOM 785 N CYS A 52 -0.037 8.519 -8.149 1.00 0.00 N ATOM 786 CA CYS A 52 -1.414 8.784 -7.769 1.00 0.00 C ATOM 787 C CYS A 52 -1.443 9.131 -6.279 1.00 0.00 C ATOM 788 O CYS A 52 -2.098 10.085 -5.867 1.00 0.00 O ATOM 789 CB CYS A 52 -2.329 7.602 -8.097 1.00 0.00 C ATOM 790 SG CYS A 52 -2.665 7.552 -9.895 1.00 0.00 S ATOM 0 H CYS A 52 0.425 7.794 -7.601 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.797 9.626 -8.345 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.861 6.670 -7.780 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.265 7.692 -7.546 1.00 0.00 H new ATOM 795 N HIS A 53 -0.716 8.330 -5.500 1.00 0.00 N ATOM 796 CA HIS A 53 -0.621 8.504 -4.055 1.00 0.00 C ATOM 797 C HIS A 53 0.596 9.385 -3.716 1.00 0.00 C ATOM 798 O HIS A 53 1.048 9.400 -2.572 1.00 0.00 O ATOM 799 CB HIS A 53 -0.605 7.121 -3.387 1.00 0.00 C ATOM 800 CG HIS A 53 -1.711 6.167 -3.775 1.00 0.00 C ATOM 801 ND1 HIS A 53 -3.003 6.441 -3.568 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.673 4.926 -4.366 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.741 5.412 -4.013 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.969 4.449 -4.515 1.00 0.00 N ATOM 0 H HIS A 53 -0.176 7.541 -5.856 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.488 9.032 -3.659 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.349 6.645 -3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.642 7.264 -2.307 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.368 7.293 -3.142 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.777 4.404 -4.667 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.819 5.370 -3.970 1.00 0.00 H new ATOM 812 N THR A 54 1.084 10.091 -4.725 1.00 0.00 N ATOM 813 CA THR A 54 2.230 10.964 -4.543 1.00 0.00 C ATOM 814 C THR A 54 3.368 10.213 -3.848 1.00 0.00 C ATOM 815 O THR A 54 3.179 9.093 -3.375 1.00 0.00 O ATOM 816 CB THR A 54 1.763 12.203 -3.776 1.00 0.00 C ATOM 817 OG1 THR A 54 1.219 11.679 -2.568 1.00 0.00 O ATOM 818 CG2 THR A 54 0.577 12.896 -4.449 1.00 0.00 C ATOM 0 H THR A 54 0.706 10.076 -5.672 1.00 0.00 H new ATOM 0 HA THR A 54 2.635 11.290 -5.501 1.00 0.00 H new ATOM 0 HB THR A 54 2.591 12.907 -3.685 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.788 10.951 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.286 13.768 -3.864 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.861 13.211 -5.453 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.262 12.203 -4.510 1.00 0.00 H new ATOM 826 N ASN A 55 4.524 10.859 -3.810 1.00 0.00 N ATOM 827 CA ASN A 55 5.692 10.266 -3.181 1.00 0.00 C ATOM 828 C ASN A 55 5.344 9.860 -1.748 1.00 0.00 C ATOM 829 O ASN A 55 6.026 9.028 -1.152 1.00 0.00 O ATOM 830 CB ASN A 55 6.851 11.263 -3.122 1.00 0.00 C ATOM 831 CG ASN A 55 6.400 12.593 -2.516 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.049 12.688 -1.351 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.427 13.613 -3.369 1.00 0.00 N ATOM 0 H ASN A 55 4.677 11.787 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 55 5.990 9.400 -3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.664 10.846 -2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.243 11.431 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.143 14.543 -3.061 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.732 13.465 -4.331 1.00 0.00 H new ATOM 840 N ASN A 56 4.283 10.466 -1.236 1.00 0.00 N ATOM 841 CA ASN A 56 3.836 10.178 0.116 1.00 0.00 C ATOM 842 C ASN A 56 2.322 9.952 0.111 1.00 0.00 C ATOM 843 O ASN A 56 1.539 10.789 -0.333 1.00 0.00 O ATOM 844 CB ASN A 56 4.136 11.347 1.056 1.00 0.00 C ATOM 845 CG ASN A 56 5.134 10.936 2.141 1.00 0.00 C ATOM 846 OD1 ASN A 56 4.775 10.439 3.195 1.00 0.00 O ATOM 847 ND2 ASN A 56 6.404 11.170 1.823 1.00 0.00 N ATOM 0 H ASN A 56 3.720 11.156 -1.733 1.00 0.00 H new ATOM 0 HA ASN A 56 4.365 9.290 0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.538 12.184 0.485 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.212 11.692 1.519 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.147 10.930 2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.635 11.589 0.922 1.00 0.00 H new ATOM 854 N PRO A 57 1.924 8.785 0.622 1.00 0.00 N ATOM 855 CA PRO A 57 0.543 8.365 0.718 1.00 0.00 C ATOM 856 C PRO A 57 -0.167 9.184 1.787 1.00 0.00 C ATOM 857 O PRO A 57 -1.266 9.672 1.529 1.00 0.00 O ATOM 858 CB PRO A 57 0.608 6.891 1.110 1.00 0.00 C ATOM 859 CG PRO A 57 1.909 6.779 1.863 1.00 0.00 C ATOM 860 CD PRO A 57 2.818 7.778 1.152 1.00 0.00 C ATOM 0 HA PRO A 57 -0.009 8.508 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.240 6.604 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.595 6.243 0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.786 7.028 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.312 5.767 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.540 8.215 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.387 7.297 0.356 1.00 0.00 H new ATOM 868 N ALA A 58 0.460 9.316 2.947 1.00 0.00 N ATOM 869 CA ALA A 58 -0.131 10.077 4.034 1.00 0.00 C ATOM 870 C ALA A 58 -0.506 11.472 3.531 1.00 0.00 C ATOM 871 O ALA A 58 -1.318 12.161 4.146 1.00 0.00 O ATOM 872 CB ALA A 58 0.843 10.124 5.213 1.00 0.00 C ATOM 0 H ALA A 58 1.371 8.909 3.157 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.045 9.598 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.400 10.695 6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.053 9.110 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.772 10.601 4.899 1.00 0.00 H new ATOM 878 N ASN A 59 0.105 11.847 2.416 1.00 0.00 N ATOM 879 CA ASN A 59 -0.155 13.148 1.823 1.00 0.00 C ATOM 880 C ASN A 59 -1.373 13.050 0.902 1.00 0.00 C ATOM 881 O ASN A 59 -1.895 11.961 0.671 1.00 0.00 O ATOM 882 CB ASN A 59 1.035 13.618 0.984 1.00 0.00 C ATOM 883 CG ASN A 59 1.120 15.145 0.959 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.169 15.851 1.255 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.308 15.616 0.590 1.00 0.00 N ATOM 0 H ASN A 59 0.778 11.273 1.908 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.330 13.858 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.958 13.206 1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.939 13.239 -0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.465 16.623 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.062 14.970 0.355 1.00 0.00 H new ATOM 892 N VAL A 60 -1.791 14.204 0.402 1.00 0.00 N ATOM 893 CA VAL A 60 -2.938 14.262 -0.488 1.00 0.00 C ATOM 894 C VAL A 60 -2.536 13.734 -1.867 1.00 0.00 C ATOM 895 O VAL A 60 -1.612 14.256 -2.490 1.00 0.00 O ATOM 896 CB VAL A 60 -3.494 15.687 -0.532 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.615 15.806 -1.567 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.976 16.131 0.850 1.00 0.00 C ATOM 0 H VAL A 60 -1.356 15.106 0.596 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.741 13.625 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.685 16.352 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.993 16.828 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.228 15.551 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.424 15.123 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.366 17.147 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.763 15.460 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.143 16.103 1.552 1.00 0.00 H new ATOM 908 N GLY A 61 -3.248 12.706 -2.302 1.00 0.00 N ATOM 909 CA GLY A 61 -2.977 12.102 -3.596 1.00 0.00 C ATOM 910 C GLY A 61 -3.848 12.727 -4.687 1.00 0.00 C ATOM 911 O GLY A 61 -4.615 13.651 -4.420 1.00 0.00 O ATOM 0 H GLY A 61 -4.012 12.275 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.924 12.231 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.164 11.029 -3.547 1.00 0.00 H new ATOM 915 N LYS A 62 -3.701 12.199 -5.893 1.00 0.00 N ATOM 916 CA LYS A 62 -4.465 12.694 -7.025 1.00 0.00 C ATOM 917 C LYS A 62 -4.487 11.630 -8.124 1.00 0.00 C ATOM 918 O LYS A 62 -3.452 11.054 -8.457 1.00 0.00 O ATOM 919 CB LYS A 62 -3.920 14.046 -7.489 1.00 0.00 C ATOM 920 CG LYS A 62 -4.628 14.515 -8.762 1.00 0.00 C ATOM 921 CD LYS A 62 -4.166 15.918 -9.161 1.00 0.00 C ATOM 922 CE LYS A 62 -5.060 16.498 -10.259 1.00 0.00 C ATOM 923 NZ LYS A 62 -4.348 17.567 -10.995 1.00 0.00 N ATOM 0 H LYS A 62 -3.064 11.433 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.500 12.876 -6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.054 14.786 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.849 13.967 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.425 13.817 -9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.706 14.515 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.184 16.572 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.134 15.879 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.357 15.709 -10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.974 16.897 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.968 17.950 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.086 18.327 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.489 17.175 -11.431 1.00 0.00 H new ATOM 937 N ASN A 63 -5.678 11.399 -8.657 1.00 0.00 N ATOM 938 CA ASN A 63 -5.848 10.415 -9.712 1.00 0.00 C ATOM 939 C ASN A 63 -5.515 11.055 -11.060 1.00 0.00 C ATOM 940 O ASN A 63 -6.005 12.139 -11.375 1.00 0.00 O ATOM 941 CB ASN A 63 -7.293 9.915 -9.770 1.00 0.00 C ATOM 942 CG ASN A 63 -7.581 8.934 -8.631 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.686 8.402 -7.995 1.00 0.00 O ATOM 944 ND2 ASN A 63 -8.876 8.726 -8.411 1.00 0.00 N ATOM 0 H ASN A 63 -6.535 11.877 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.184 9.577 -9.501 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.977 10.761 -9.707 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.475 9.428 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.172 8.088 -7.672 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.573 9.204 -8.981 1.00 0.00 H new ATOM 951 N ILE A 64 -4.683 10.358 -11.821 1.00 0.00 N ATOM 952 CA ILE A 64 -4.278 10.845 -13.128 1.00 0.00 C ATOM 953 C ILE A 64 -5.324 10.434 -14.167 1.00 0.00 C ATOM 954 O ILE A 64 -5.122 10.625 -15.366 1.00 0.00 O ATOM 955 CB ILE A 64 -2.862 10.372 -13.461 1.00 0.00 C ATOM 956 CG1 ILE A 64 -2.869 8.925 -13.958 1.00 0.00 C ATOM 957 CG2 ILE A 64 -1.925 10.563 -12.267 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.476 8.498 -14.423 1.00 0.00 C ATOM 0 H ILE A 64 -4.279 9.460 -11.557 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.234 11.934 -13.132 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.479 10.989 -14.273 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.208 8.264 -13.160 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.578 8.822 -14.780 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.925 10.219 -12.531 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.887 11.619 -12.000 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.295 9.987 -11.418 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.509 7.466 -14.771 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.150 9.145 -15.237 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.775 8.578 -13.592 1.00 0.00 H new ATOM 970 N VAL A 65 -6.418 9.877 -13.670 1.00 0.00 N ATOM 971 CA VAL A 65 -7.496 9.438 -14.540 1.00 0.00 C ATOM 972 C VAL A 65 -8.471 10.596 -14.762 1.00 0.00 C ATOM 973 O VAL A 65 -8.757 10.962 -15.901 1.00 0.00 O ATOM 974 CB VAL A 65 -8.168 8.195 -13.954 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.442 7.845 -14.725 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.200 7.010 -13.927 1.00 0.00 C ATOM 0 H VAL A 65 -6.581 9.719 -12.676 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.105 9.151 -15.516 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.451 8.420 -12.926 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.900 6.958 -14.288 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.142 8.679 -14.669 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.194 7.649 -15.768 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.703 6.139 -13.506 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.873 6.785 -14.942 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.334 7.261 -13.314 1.00 0.00 H new ATOM 986 N THR A 66 -8.955 11.140 -13.655 1.00 0.00 N ATOM 987 CA THR A 66 -9.892 12.249 -13.715 1.00 0.00 C ATOM 988 C THR A 66 -9.208 13.549 -13.286 1.00 0.00 C ATOM 989 O THR A 66 -9.517 14.618 -13.809 1.00 0.00 O ATOM 990 CB THR A 66 -11.106 11.889 -12.855 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.571 11.743 -11.543 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.667 10.505 -13.185 1.00 0.00 C ATOM 0 H THR A 66 -8.716 10.834 -12.712 1.00 0.00 H new ATOM 0 HA THR A 66 -10.237 12.421 -14.735 1.00 0.00 H new ATOM 0 HB THR A 66 -11.885 12.639 -12.994 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.291 11.511 -10.920 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.526 10.299 -12.547 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.976 10.477 -14.230 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.899 9.751 -13.014 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.292 13.413 -12.339 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.562 14.564 -11.834 1.00 0.00 C ATOM 1002 C GLY A 67 -8.384 15.320 -10.788 1.00 0.00 C ATOM 1003 O GLY A 67 -8.290 16.542 -10.684 1.00 0.00 O ATOM 0 H GLY A 67 -8.038 12.524 -11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.620 14.237 -11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.314 15.232 -12.659 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.172 14.561 -10.040 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.010 15.144 -9.006 1.00 0.00 C ATOM 1009 C LYS A 68 -9.159 15.434 -7.769 1.00 0.00 C ATOM 1010 O LYS A 68 -8.532 16.489 -7.676 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.217 14.246 -8.726 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.327 14.483 -9.752 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.223 15.649 -9.331 1.00 0.00 C ATOM 1014 CE LYS A 68 -13.826 16.346 -10.552 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.268 16.036 -10.667 1.00 0.00 N ATOM 0 H LYS A 68 -9.248 13.548 -10.130 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.421 16.097 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.910 13.200 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.596 14.442 -7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.887 14.691 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.927 13.579 -9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.021 15.284 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.644 16.365 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.685 17.424 -10.469 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.306 16.025 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.661 16.517 -11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.395 15.009 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.763 16.364 -9.813 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.164 14.481 -6.849 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.400 14.621 -5.621 1.00 0.00 C ATOM 1031 C GLU A 69 -8.571 13.378 -4.745 1.00 0.00 C ATOM 1032 O GLU A 69 -9.691 13.003 -4.405 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.808 15.886 -4.863 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.109 15.667 -4.090 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.568 16.959 -3.410 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -9.981 17.283 -2.355 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.494 17.592 -3.960 1.00 0.00 O ATOM 0 H GLU A 69 -9.685 13.608 -6.929 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.346 14.716 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.015 16.172 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.932 16.711 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.885 15.314 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.964 14.889 -3.340 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.442 12.774 -4.405 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.452 11.582 -3.575 1.00 0.00 C ATOM 1046 C ILE A 70 -6.830 11.906 -2.215 1.00 0.00 C ATOM 1047 O ILE A 70 -5.614 11.944 -2.046 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.771 10.419 -4.300 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.371 10.215 -5.693 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.826 9.141 -3.460 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.541 9.231 -5.647 1.00 0.00 C ATOM 0 H ILE A 70 -6.514 13.088 -4.689 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.476 11.257 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.719 10.670 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.711 11.171 -6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.604 9.842 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.335 8.330 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.316 9.307 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.866 8.874 -3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.949 9.104 -6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.192 8.269 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.316 9.618 -4.986 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.707 12.143 -1.236 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.341 12.467 0.126 1.00 0.00 C ATOM 1065 C PRO A 71 -6.306 11.471 0.627 1.00 0.00 C ATOM 1066 O PRO A 71 -6.082 10.438 0.001 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.641 12.352 0.918 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.704 12.687 -0.104 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.144 12.107 -1.401 1.00 0.00 C ATOM 0 HA PRO A 71 -6.900 13.459 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.776 11.350 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.661 13.044 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.664 12.240 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.863 13.763 -0.181 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.497 11.089 -1.563 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.457 12.695 -2.264 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.673 11.785 1.760 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.661 10.960 2.384 1.00 0.00 C ATOM 1079 C PRO A 72 -5.028 9.492 2.223 1.00 0.00 C ATOM 1080 O PRO A 72 -6.173 9.133 2.490 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.675 11.369 3.856 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.187 12.770 3.848 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.912 12.991 2.522 1.00 0.00 C ATOM 0 HA PRO A 72 -3.674 11.092 1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.318 10.714 4.444 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.678 11.313 4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.864 12.935 4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.366 13.478 3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.978 13.155 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.527 13.869 2.003 1.00 0.00 H new ATOM 1091 N LEU A 73 -4.069 8.684 1.795 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.315 7.264 1.606 1.00 0.00 C ATOM 1093 C LEU A 73 -4.077 6.529 2.926 1.00 0.00 C ATOM 1094 O LEU A 73 -4.688 5.493 3.183 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.479 6.726 0.443 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.338 5.204 0.367 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.538 4.577 -0.345 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.013 4.809 -0.288 1.00 0.00 C ATOM 0 H LEU A 73 -3.120 8.986 1.574 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.355 7.091 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.921 7.077 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.482 7.161 0.507 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.325 4.811 1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.413 3.495 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.451 4.816 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.607 4.972 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.937 3.722 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.972 5.215 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.185 5.208 0.297 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.188 7.094 3.730 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.862 6.505 5.017 1.00 0.00 C ATOM 1112 C ALA A 74 -4.138 5.960 5.662 1.00 0.00 C ATOM 1113 O ALA A 74 -5.048 6.698 6.033 1.00 0.00 O ATOM 1114 CB ALA A 74 -2.165 7.548 5.894 1.00 0.00 C ATOM 0 H ALA A 74 -2.683 7.954 3.515 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.173 5.670 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.920 7.106 6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.250 7.881 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.828 8.400 6.042 1.00 0.00 H new ATOM 1120 N PRO A 75 -4.183 4.632 5.788 1.00 0.00 N ATOM 1121 CA PRO A 75 -5.292 3.905 6.370 1.00 0.00 C ATOM 1122 C PRO A 75 -5.302 4.112 7.878 1.00 0.00 C ATOM 1123 O PRO A 75 -6.221 3.628 8.537 1.00 0.00 O ATOM 1124 CB PRO A 75 -5.028 2.443 6.019 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.575 2.353 5.838 1.00 0.00 C ATOM 1126 CD PRO A 75 -3.131 3.734 5.363 1.00 0.00 C ATOM 0 HA PRO A 75 -6.261 4.237 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.369 1.779 6.813 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.558 2.153 5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.080 2.082 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.318 1.586 5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.173 4.013 5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.005 3.758 4.281 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.299 4.811 8.388 1.00 0.00 N ATOM 1135 CA ARG A 76 -4.214 5.064 9.816 1.00 0.00 C ATOM 1136 C ARG A 76 -4.566 6.522 10.119 1.00 0.00 C ATOM 1137 O ARG A 76 -5.413 6.797 10.968 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.810 4.765 10.346 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.726 5.021 11.852 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.408 4.498 12.425 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.666 3.705 13.648 1.00 0.00 N ATOM 1142 CZ ARG A 76 -0.705 3.210 14.439 1.00 0.00 C ATOM 1143 NH1 ARG A 76 0.584 3.423 14.141 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.032 2.503 15.529 1.00 0.00 N ATOM 0 H ARG A 76 -3.538 5.210 7.838 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.926 4.404 10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.551 3.727 10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.081 5.387 9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.813 6.090 12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.563 4.536 12.354 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.899 3.883 11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.746 5.333 12.656 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.637 3.524 13.905 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.833 3.962 13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.316 3.046 14.743 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.013 2.341 15.757 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.300 2.126 16.131 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.897 7.419 9.409 1.00 0.00 N ATOM 1159 CA VAL A 77 -4.129 8.842 9.591 1.00 0.00 C ATOM 1160 C VAL A 77 -5.635 9.108 9.634 1.00 0.00 C ATOM 1161 O VAL A 77 -6.108 9.885 10.461 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.413 9.633 8.494 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -4.018 11.030 8.342 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.910 9.713 8.769 1.00 0.00 C ATOM 0 H VAL A 77 -3.194 7.188 8.707 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.713 9.178 10.541 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.554 9.103 7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.491 11.571 7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.072 10.943 8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.922 11.572 9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.424 10.280 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.741 10.209 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.492 8.707 8.804 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.346 8.447 8.731 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.789 8.603 8.655 1.00 0.00 C ATOM 1176 C ASN A 78 -8.461 7.479 9.447 1.00 0.00 C ATOM 1177 O ASN A 78 -8.002 6.338 9.422 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.276 8.519 7.208 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.321 9.252 6.264 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.344 9.856 6.674 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.657 9.165 4.980 1.00 0.00 N ATOM 0 H ASN A 78 -5.950 7.803 8.047 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.045 9.580 9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.358 7.474 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.273 8.952 7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -7.083 9.620 4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.489 8.643 4.705 1.00 0.00 H new ATOM 1188 N THR A 79 -9.536 7.841 10.130 1.00 0.00 N ATOM 1189 CA THR A 79 -10.276 6.877 10.927 1.00 0.00 C ATOM 1190 C THR A 79 -11.358 6.204 10.081 1.00 0.00 C ATOM 1191 O THR A 79 -12.111 5.369 10.580 1.00 0.00 O ATOM 1192 CB THR A 79 -10.829 7.604 12.155 1.00 0.00 C ATOM 1193 OG1 THR A 79 -11.349 8.823 11.632 1.00 0.00 O ATOM 1194 CG2 THR A 79 -9.726 8.052 13.116 1.00 0.00 C ATOM 0 H THR A 79 -9.913 8.789 10.148 1.00 0.00 H new ATOM 0 HA THR A 79 -9.630 6.070 11.273 1.00 0.00 H new ATOM 0 HB THR A 79 -11.525 6.950 12.680 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.729 9.356 12.361 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.172 8.562 13.970 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.170 7.181 13.464 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.048 8.732 12.600 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.401 6.592 8.815 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.378 6.036 7.895 1.00 0.00 C ATOM 1204 C LYS A 80 -11.657 5.204 6.833 1.00 0.00 C ATOM 1205 O LYS A 80 -11.944 5.326 5.643 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.259 7.144 7.314 1.00 0.00 C ATOM 1207 CG LYS A 80 -12.439 8.091 6.434 1.00 0.00 C ATOM 1208 CD LYS A 80 -12.903 9.539 6.607 1.00 0.00 C ATOM 1209 CE LYS A 80 -11.961 10.308 7.535 1.00 0.00 C ATOM 1210 NZ LYS A 80 -12.735 11.119 8.502 1.00 0.00 N ATOM 0 H LYS A 80 -10.775 7.285 8.405 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.056 5.364 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.065 6.703 6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.725 7.706 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.383 8.010 6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.535 7.797 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.943 10.031 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.914 9.555 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.317 9.610 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.310 10.955 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.081 11.635 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.331 11.798 7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.338 10.494 9.075 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.734 4.376 7.301 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.970 3.524 6.406 1.00 0.00 C ATOM 1226 C ARG A 81 -9.713 2.164 7.059 1.00 0.00 C ATOM 1227 O ARG A 81 -9.950 1.990 8.253 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.631 4.169 6.043 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.836 5.388 5.142 1.00 0.00 C ATOM 1230 CD ARG A 81 -8.863 4.982 3.667 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.788 6.186 2.809 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.853 6.900 2.422 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -11.082 6.537 2.814 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.690 7.978 1.643 1.00 0.00 N ATOM 0 H ARG A 81 -10.498 4.277 8.288 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.554 3.389 5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.109 4.468 6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.998 3.440 5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.770 5.885 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.035 6.108 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.027 4.317 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.776 4.427 3.451 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.867 6.491 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.207 5.717 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.893 7.081 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.755 8.255 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.501 8.522 1.348 1.00 0.00 H new ATOM 1248 N PHE A 82 -9.231 1.235 6.246 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.939 -0.104 6.729 1.00 0.00 C ATOM 1250 C PHE A 82 -9.971 -0.548 7.768 1.00 0.00 C ATOM 1251 O PHE A 82 -9.627 -0.790 8.925 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.559 -0.051 7.388 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.405 -0.389 6.442 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.597 -0.356 5.096 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -5.188 -0.724 6.948 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.525 -0.671 4.219 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -4.117 -1.038 6.070 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.308 -1.005 4.724 1.00 0.00 C ATOM 0 H PHE A 82 -9.035 1.383 5.256 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.967 -0.813 5.902 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.400 0.947 7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.542 -0.745 8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.564 -0.091 4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.036 -0.751 8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.677 -0.645 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.150 -1.303 6.471 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.493 -1.244 4.057 1.00 0.00 H new ATOM 1268 N THR A 83 -11.213 -0.642 7.319 1.00 0.00 N ATOM 1269 CA THR A 83 -12.297 -1.054 8.196 1.00 0.00 C ATOM 1270 C THR A 83 -13.035 -2.256 7.603 1.00 0.00 C ATOM 1271 O THR A 83 -14.264 -2.293 7.599 1.00 0.00 O ATOM 1272 CB THR A 83 -13.200 0.159 8.431 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.480 0.951 9.372 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.492 -0.208 9.165 1.00 0.00 C ATOM 0 H THR A 83 -11.494 -0.440 6.359 1.00 0.00 H new ATOM 0 HA THR A 83 -11.920 -1.389 9.162 1.00 0.00 H new ATOM 0 HB THR A 83 -13.444 0.621 7.474 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.650 1.273 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.097 0.688 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 83 -15.052 -0.934 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.249 -0.639 10.136 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.253 -3.209 7.117 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.817 -4.409 6.523 1.00 0.00 C ATOM 1284 C ASP A 84 -11.687 -5.377 6.170 1.00 0.00 C ATOM 1285 O ASP A 84 -11.278 -5.464 5.013 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.579 -4.082 5.238 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.462 -5.212 4.704 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -14.726 -6.146 5.491 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -14.851 -5.116 3.520 1.00 0.00 O ATOM 0 H ASP A 84 -11.234 -3.174 7.123 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.503 -4.852 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.204 -3.207 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.859 -3.808 4.466 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.214 -6.082 7.188 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.139 -7.041 6.998 1.00 0.00 C ATOM 1296 C ILE A 85 -10.372 -7.812 5.698 1.00 0.00 C ATOM 1297 O ILE A 85 -9.421 -8.258 5.057 1.00 0.00 O ATOM 1298 CB ILE A 85 -10.000 -7.939 8.229 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.638 -7.118 9.469 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.996 -9.066 7.975 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -10.444 -7.578 10.685 1.00 0.00 C ATOM 0 H ILE A 85 -11.556 -6.008 8.146 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.183 -6.527 6.896 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.966 -8.405 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.572 -7.216 9.676 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.830 -6.062 9.279 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.916 -9.690 8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.335 -9.673 7.136 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.021 -8.639 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.168 -6.979 11.553 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.508 -7.456 10.484 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.231 -8.628 10.887 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.642 -7.945 5.346 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.012 -8.655 4.133 1.00 0.00 C ATOM 1315 C ASP A 86 -11.514 -7.871 2.917 1.00 0.00 C ATOM 1316 O ASP A 86 -10.607 -8.316 2.216 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.531 -8.792 4.017 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.172 -9.758 5.016 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.116 -10.976 4.743 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -14.702 -9.256 6.031 1.00 0.00 O ATOM 0 H ASP A 86 -12.428 -7.573 5.879 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.562 -9.647 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.980 -7.808 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.775 -9.123 3.007 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.130 -6.718 2.703 1.00 0.00 N ATOM 1326 CA LYS A 87 -11.761 -5.868 1.584 1.00 0.00 C ATOM 1327 C LYS A 87 -10.238 -5.853 1.442 1.00 0.00 C ATOM 1328 O LYS A 87 -9.712 -6.014 0.341 1.00 0.00 O ATOM 1329 CB LYS A 87 -12.377 -4.476 1.742 1.00 0.00 C ATOM 1330 CG LYS A 87 -12.074 -3.601 0.524 1.00 0.00 C ATOM 1331 CD LYS A 87 -11.976 -2.126 0.919 1.00 0.00 C ATOM 1332 CE LYS A 87 -13.065 -1.301 0.230 1.00 0.00 C ATOM 1333 NZ LYS A 87 -12.557 -0.727 -1.036 1.00 0.00 N ATOM 0 H LYS A 87 -12.883 -6.352 3.286 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.165 -6.267 0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.456 -4.564 1.872 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.986 -4.001 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.138 -3.921 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.856 -3.730 -0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.070 -2.028 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.994 -1.738 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.933 -1.929 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.397 -0.501 0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.308 -0.170 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.743 -0.112 -0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.262 -1.495 -1.672 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.571 -5.659 2.570 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.119 -5.621 2.585 1.00 0.00 C ATOM 1349 C VAL A 88 -7.576 -6.663 1.606 1.00 0.00 C ATOM 1350 O VAL A 88 -6.843 -6.326 0.677 1.00 0.00 O ATOM 1351 CB VAL A 88 -7.605 -5.817 4.012 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -6.248 -6.523 4.014 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -7.529 -4.482 4.756 1.00 0.00 C ATOM 0 H VAL A 88 -10.010 -5.526 3.481 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.759 -4.646 2.255 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.315 -6.454 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.905 -6.650 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.345 -7.500 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.525 -5.923 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.161 -4.650 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.851 -3.810 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.521 -4.033 4.801 1.00 0.00 H new ATOM 1363 N GLU A 89 -7.957 -7.909 1.846 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.517 -9.003 0.997 1.00 0.00 C ATOM 1365 C GLU A 89 -8.498 -9.204 -0.160 1.00 0.00 C ATOM 1366 O GLU A 89 -9.350 -10.090 -0.110 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.351 -10.292 1.805 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.003 -10.954 1.510 1.00 0.00 C ATOM 1369 CD GLU A 89 -5.372 -11.505 2.790 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -5.379 -10.759 3.793 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -4.896 -12.660 2.737 1.00 0.00 O ATOM 0 H GLU A 89 -8.566 -8.185 2.616 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.543 -8.746 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.426 -10.070 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.160 -10.982 1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.140 -11.762 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.330 -10.229 1.051 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.346 -8.367 -1.175 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.207 -8.442 -2.343 1.00 0.00 C ATOM 1380 C ASP A 90 -8.853 -7.307 -3.306 1.00 0.00 C ATOM 1381 O ASP A 90 -8.353 -7.552 -4.403 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.679 -8.288 -1.952 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.616 -7.910 -3.101 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.519 -8.574 -4.155 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.410 -6.966 -2.898 1.00 0.00 O ATOM 0 H ASP A 90 -7.639 -7.633 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.057 -9.415 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.024 -9.225 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.756 -7.527 -1.175 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.126 -6.089 -2.861 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.842 -4.916 -3.670 1.00 0.00 C ATOM 1392 C GLU A 91 -7.334 -4.771 -3.884 1.00 0.00 C ATOM 1393 O GLU A 91 -6.891 -4.392 -4.968 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.429 -3.655 -3.033 1.00 0.00 C ATOM 1395 CG GLU A 91 -8.570 -3.184 -1.857 1.00 0.00 C ATOM 1396 CD GLU A 91 -8.979 -1.781 -1.406 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -9.354 -0.986 -2.296 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -8.909 -1.534 -0.183 1.00 0.00 O ATOM 0 H GLU A 91 -9.541 -5.889 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.316 -5.046 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.496 -2.863 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.444 -3.855 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.672 -3.881 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.519 -3.185 -2.146 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.587 -5.079 -2.834 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.138 -4.988 -2.894 1.00 0.00 C ATOM 1407 C PHE A 92 -4.576 -5.899 -3.987 1.00 0.00 C ATOM 1408 O PHE A 92 -3.504 -5.635 -4.529 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.604 -5.451 -1.537 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.832 -4.374 -0.772 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.860 -3.659 -1.399 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -4.118 -4.131 0.535 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -2.143 -2.660 -0.690 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.401 -3.132 1.245 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.428 -2.418 0.618 1.00 0.00 C ATOM 0 H PHE A 92 -6.958 -5.392 -1.937 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.839 -3.965 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.440 -5.788 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.953 -6.312 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.633 -3.851 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.891 -4.698 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.371 -2.092 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.628 -2.939 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.882 -1.659 1.158 1.00 0.00 H new ATOM 1425 N THR A 93 -5.325 -6.952 -4.278 1.00 0.00 N ATOM 1426 CA THR A 93 -4.915 -7.904 -5.297 1.00 0.00 C ATOM 1427 C THR A 93 -5.410 -7.457 -6.674 1.00 0.00 C ATOM 1428 O THR A 93 -4.684 -7.560 -7.662 1.00 0.00 O ATOM 1429 CB THR A 93 -5.426 -9.286 -4.886 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.431 -9.772 -3.989 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.405 -10.286 -6.044 1.00 0.00 C ATOM 0 H THR A 93 -6.214 -7.167 -3.826 1.00 0.00 H new ATOM 0 HA THR A 93 -3.829 -7.954 -5.378 1.00 0.00 H new ATOM 0 HB THR A 93 -6.442 -9.197 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.684 -10.664 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.777 -11.250 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.039 -9.920 -6.852 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.384 -10.400 -6.408 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.642 -6.972 -6.695 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.243 -6.509 -7.935 1.00 0.00 C ATOM 1441 C LYS A 94 -6.514 -5.251 -8.411 1.00 0.00 C ATOM 1442 O LYS A 94 -6.433 -4.985 -9.609 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.751 -6.318 -7.761 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.378 -7.519 -7.051 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.535 -8.096 -7.868 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.021 -9.040 -8.957 1.00 0.00 C ATOM 1447 NZ LYS A 94 -10.442 -8.565 -10.294 1.00 0.00 N ATOM 0 H LYS A 94 -7.241 -6.889 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.129 -7.259 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.942 -5.411 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.219 -6.183 -8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.622 -8.288 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.738 -7.217 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.218 -8.633 -7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.103 -7.285 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.934 -9.100 -8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.403 -10.046 -8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.085 -9.216 -11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.480 -8.531 -10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.056 -7.614 -10.462 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.995 -4.499 -7.440 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.265 -3.263 -7.701 1.00 0.00 C ATOM 1463 C HIS A 95 -3.948 -3.580 -8.433 1.00 0.00 C ATOM 1464 O HIS A 95 -3.694 -3.107 -9.539 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.085 -2.504 -6.378 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.715 -1.042 -6.478 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.759 -0.366 -7.630 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.291 -0.147 -5.525 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.377 0.901 -7.404 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.077 1.090 -6.120 1.00 0.00 N ATOM 0 H HIS A 95 -6.070 -4.732 -6.450 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.822 -2.604 -8.367 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.013 -2.582 -5.812 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.314 -3.011 -5.797 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -5.037 -0.750 -8.533 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.147 -0.370 -4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.320 1.667 -8.164 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.117 -4.399 -7.785 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.839 -4.796 -8.341 1.00 0.00 C ATOM 1480 C CYS A 96 -2.055 -5.457 -9.695 1.00 0.00 C ATOM 1481 O CYS A 96 -1.132 -5.456 -10.508 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.139 -5.750 -7.377 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.294 -4.776 -6.107 1.00 0.00 S ATOM 0 H CYS A 96 -3.316 -4.798 -6.868 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.208 -3.919 -8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.864 -6.422 -6.918 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.423 -6.372 -7.914 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.245 -5.999 -9.911 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.551 -6.655 -11.171 1.00 0.00 C ATOM 1490 C ASN A 97 -3.959 -5.601 -12.203 1.00 0.00 C ATOM 1491 O ASN A 97 -4.043 -5.894 -13.394 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.713 -7.637 -11.013 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.226 -9.084 -11.114 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.711 -9.523 -12.129 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.417 -9.797 -10.009 1.00 0.00 N ATOM 0 H ASN A 97 -4.008 -5.997 -9.235 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.662 -7.198 -11.494 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.199 -7.479 -10.050 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.462 -7.447 -11.782 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.126 -10.774 -9.976 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.855 -9.367 -9.194 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.202 -4.397 -11.707 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.599 -3.298 -12.571 1.00 0.00 C ATOM 1504 C ASP A 98 -3.568 -2.173 -12.465 1.00 0.00 C ATOM 1505 O ASP A 98 -3.778 -1.082 -12.993 1.00 0.00 O ATOM 1506 CB ASP A 98 -5.959 -2.734 -12.154 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.064 -2.868 -13.203 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -6.721 -3.251 -14.343 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -8.227 -2.585 -12.842 1.00 0.00 O ATOM 0 H ASP A 98 -4.132 -4.158 -10.718 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.663 -3.677 -13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.281 -3.239 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.838 -1.679 -11.908 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.476 -2.477 -11.779 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.411 -1.505 -11.598 1.00 0.00 C ATOM 1516 C ILE A 99 -0.094 -2.098 -12.101 1.00 0.00 C ATOM 1517 O ILE A 99 0.679 -1.419 -12.776 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.358 -1.035 -10.143 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.673 -0.371 -9.732 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.155 -0.119 -9.906 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.813 1.012 -10.372 1.00 0.00 C ATOM 0 H ILE A 99 -2.306 -3.383 -11.342 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.605 -0.611 -12.191 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.227 -1.910 -9.507 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.511 -1.000 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.714 -0.279 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.141 0.201 -8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.764 -0.660 -10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.230 0.755 -10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.757 1.462 -10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.987 1.646 -10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.796 0.914 -11.457 1.00 0.00 H new ATOM 1533 N LEU A 100 0.122 -3.358 -11.754 1.00 0.00 N ATOM 1534 CA LEU A 100 1.333 -4.050 -12.163 1.00 0.00 C ATOM 1535 C LEU A 100 0.992 -5.061 -13.260 1.00 0.00 C ATOM 1536 O LEU A 100 1.812 -5.332 -14.135 1.00 0.00 O ATOM 1537 CB LEU A 100 2.031 -4.670 -10.950 1.00 0.00 C ATOM 1538 CG LEU A 100 2.687 -3.687 -9.979 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.374 -4.427 -8.830 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.649 -2.750 -10.714 1.00 0.00 C ATOM 0 H LEU A 100 -0.521 -3.918 -11.194 1.00 0.00 H new ATOM 0 HA LEU A 100 2.049 -3.347 -12.589 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.300 -5.262 -10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.795 -5.360 -11.309 1.00 0.00 H new ATOM 0 HG LEU A 100 1.905 -3.067 -9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.832 -3.705 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.637 -5.017 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.143 -5.087 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.102 -2.061 -10.001 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.430 -3.337 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.101 -2.184 -11.467 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.219 -5.591 -13.176 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.678 -6.566 -14.150 1.00 0.00 C ATOM 1554 C GLY A 101 -0.756 -7.964 -13.533 1.00 0.00 C ATOM 1555 O GLY A 101 -0.914 -8.953 -14.246 1.00 0.00 O ATOM 0 H GLY A 101 -0.897 -5.364 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.659 -6.275 -14.526 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.001 -6.579 -15.004 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.640 -8.000 -12.214 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.694 -9.260 -11.492 1.00 0.00 C ATOM 1561 C ALA A 102 -0.876 -8.981 -9.999 1.00 0.00 C ATOM 1562 O ALA A 102 -1.064 -7.834 -9.597 1.00 0.00 O ATOM 1563 CB ALA A 102 0.570 -10.071 -11.784 1.00 0.00 C ATOM 0 H ALA A 102 -0.509 -7.177 -11.626 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.546 -9.854 -11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.529 -11.016 -11.242 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.636 -10.269 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.446 -9.507 -11.464 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.813 -10.049 -9.218 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.968 -9.933 -7.778 1.00 0.00 C ATOM 1571 C ASP A 103 0.402 -9.699 -7.139 1.00 0.00 C ATOM 1572 O ASP A 103 1.353 -10.450 -7.342 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.555 -11.214 -7.182 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.278 -11.034 -5.846 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -1.937 -10.058 -5.143 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.155 -11.876 -5.557 1.00 0.00 O ATOM 0 H ASP A 103 -0.657 -10.999 -9.555 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.642 -9.100 -7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.253 -11.644 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.750 -11.936 -7.048 1.00 0.00 H new ATOM 1581 N CYS A 104 0.481 -8.624 -6.351 1.00 0.00 N ATOM 1582 CA CYS A 104 1.706 -8.260 -5.668 1.00 0.00 C ATOM 1583 C CYS A 104 2.100 -9.367 -4.701 1.00 0.00 C ATOM 1584 O CYS A 104 1.243 -10.177 -4.349 1.00 0.00 O ATOM 1585 CB CYS A 104 1.503 -6.940 -4.928 1.00 0.00 C ATOM 1586 SG CYS A 104 1.516 -5.590 -6.134 1.00 0.00 S ATOM 0 H CYS A 104 -0.300 -7.992 -6.175 1.00 0.00 H new ATOM 0 HA CYS A 104 2.510 -8.132 -6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.558 -6.953 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.292 -6.795 -4.190 1.00 0.00 H new ATOM 1591 N SER A 105 3.361 -9.384 -4.295 1.00 0.00 N ATOM 1592 CA SER A 105 3.836 -10.401 -3.372 1.00 0.00 C ATOM 1593 C SER A 105 3.328 -10.104 -1.960 1.00 0.00 C ATOM 1594 O SER A 105 3.235 -8.957 -1.528 1.00 0.00 O ATOM 1595 CB SER A 105 5.364 -10.481 -3.380 1.00 0.00 C ATOM 1596 OG SER A 105 5.845 -11.583 -2.615 1.00 0.00 O ATOM 0 H SER A 105 4.068 -8.710 -4.588 1.00 0.00 H new ATOM 0 HA SER A 105 3.447 -11.366 -3.696 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.717 -10.571 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.778 -9.555 -2.981 1.00 0.00 H new ATOM 0 HG SER A 105 6.824 -11.600 -2.646 1.00 0.00 H new ATOM 1602 N PRO A 106 2.997 -11.179 -1.241 1.00 0.00 N ATOM 1603 CA PRO A 106 2.497 -11.131 0.116 1.00 0.00 C ATOM 1604 C PRO A 106 3.520 -10.449 1.013 1.00 0.00 C ATOM 1605 O PRO A 106 3.158 -10.023 2.109 1.00 0.00 O ATOM 1606 CB PRO A 106 2.307 -12.593 0.515 1.00 0.00 C ATOM 1607 CG PRO A 106 3.189 -13.395 -0.455 1.00 0.00 C ATOM 1608 CD PRO A 106 3.095 -12.542 -1.718 1.00 0.00 C ATOM 0 HA PRO A 106 1.568 -10.567 0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.607 -12.761 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.262 -12.890 0.434 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.214 -13.488 -0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.813 -14.406 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.972 -12.677 -2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.225 -12.815 -2.315 1.00 0.00 H new ATOM 1616 N SER A 107 4.756 -10.361 0.545 1.00 0.00 N ATOM 1617 CA SER A 107 5.808 -9.730 1.323 1.00 0.00 C ATOM 1618 C SER A 107 5.808 -8.220 1.076 1.00 0.00 C ATOM 1619 O SER A 107 5.962 -7.435 2.010 1.00 0.00 O ATOM 1620 CB SER A 107 7.177 -10.324 0.983 1.00 0.00 C ATOM 1621 OG SER A 107 7.634 -9.910 -0.302 1.00 0.00 O ATOM 0 H SER A 107 5.053 -10.716 -0.364 1.00 0.00 H new ATOM 0 HA SER A 107 5.612 -9.919 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.901 -10.023 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.118 -11.412 1.014 1.00 0.00 H new ATOM 0 HG SER A 107 8.511 -10.309 -0.481 1.00 0.00 H new ATOM 1627 N GLU A 108 5.635 -7.859 -0.187 1.00 0.00 N ATOM 1628 CA GLU A 108 5.613 -6.458 -0.569 1.00 0.00 C ATOM 1629 C GLU A 108 4.361 -5.776 -0.014 1.00 0.00 C ATOM 1630 O GLU A 108 4.256 -4.550 -0.036 1.00 0.00 O ATOM 1631 CB GLU A 108 5.694 -6.302 -2.089 1.00 0.00 C ATOM 1632 CG GLU A 108 6.877 -7.089 -2.658 1.00 0.00 C ATOM 1633 CD GLU A 108 8.199 -6.373 -2.375 1.00 0.00 C ATOM 1634 OE1 GLU A 108 8.145 -5.140 -2.178 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.233 -7.075 -2.363 1.00 0.00 O ATOM 0 H GLU A 108 5.509 -8.513 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 108 6.489 -5.971 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.767 -6.652 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.797 -5.248 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.899 -8.087 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.751 -7.215 -3.733 1.00 0.00 H new ATOM 1642 N LYS A 109 3.443 -6.599 0.471 1.00 0.00 N ATOM 1643 CA LYS A 109 2.203 -6.091 1.030 1.00 0.00 C ATOM 1644 C LYS A 109 2.410 -5.771 2.512 1.00 0.00 C ATOM 1645 O LYS A 109 2.293 -4.618 2.924 1.00 0.00 O ATOM 1646 CB LYS A 109 1.056 -7.069 0.767 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.300 -6.405 1.021 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.909 -5.887 -0.283 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.393 -7.043 -1.160 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.426 -7.833 -0.452 1.00 0.00 N ATOM 0 H LYS A 109 3.534 -7.615 0.488 1.00 0.00 H new ATOM 0 HA LYS A 109 1.917 -5.161 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.104 -7.423 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.163 -7.943 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.979 -7.121 1.484 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.179 -5.580 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.743 -5.222 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.169 -5.299 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.800 -6.654 -2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.552 -7.685 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.989 -8.367 -1.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.967 -8.495 0.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.049 -7.192 0.080 1.00 0.00 H new ATOM 1664 N ALA A 110 2.713 -6.812 3.273 1.00 0.00 N ATOM 1665 CA ALA A 110 2.938 -6.657 4.700 1.00 0.00 C ATOM 1666 C ALA A 110 3.968 -5.549 4.932 1.00 0.00 C ATOM 1667 O ALA A 110 4.039 -4.980 6.020 1.00 0.00 O ATOM 1668 CB ALA A 110 3.377 -7.995 5.297 1.00 0.00 C ATOM 0 H ALA A 110 2.808 -7.767 2.928 1.00 0.00 H new ATOM 0 HA ALA A 110 2.017 -6.362 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.546 -7.878 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.599 -8.740 5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.300 -8.322 4.818 1.00 0.00 H new ATOM 1674 N ASN A 111 4.740 -5.276 3.891 1.00 0.00 N ATOM 1675 CA ASN A 111 5.763 -4.247 3.967 1.00 0.00 C ATOM 1676 C ASN A 111 5.102 -2.870 3.878 1.00 0.00 C ATOM 1677 O ASN A 111 5.369 -1.995 4.700 1.00 0.00 O ATOM 1678 CB ASN A 111 6.757 -4.370 2.811 1.00 0.00 C ATOM 1679 CG ASN A 111 8.102 -3.738 3.173 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.125 -4.398 3.259 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.044 -2.426 3.381 1.00 0.00 N ATOM 0 H ASN A 111 4.678 -5.750 2.990 1.00 0.00 H new ATOM 0 HA ASN A 111 6.293 -4.368 4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.901 -5.421 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.350 -3.884 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.889 -1.911 3.629 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.155 -1.934 3.292 1.00 0.00 H new ATOM 1688 N PHE A 112 4.253 -2.720 2.872 1.00 0.00 N ATOM 1689 CA PHE A 112 3.552 -1.465 2.664 1.00 0.00 C ATOM 1690 C PHE A 112 2.635 -1.147 3.847 1.00 0.00 C ATOM 1691 O PHE A 112 2.604 -0.014 4.326 1.00 0.00 O ATOM 1692 CB PHE A 112 2.700 -1.631 1.404 1.00 0.00 C ATOM 1693 CG PHE A 112 2.006 -0.346 0.949 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.744 0.752 0.637 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.649 -0.303 0.857 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.099 1.945 0.214 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.004 0.890 0.434 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.743 1.988 0.121 1.00 0.00 C ATOM 0 H PHE A 112 4.035 -3.448 2.192 1.00 0.00 H new ATOM 0 HA PHE A 112 4.269 -0.650 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.333 -1.996 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.944 -2.395 1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.821 0.717 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.063 -1.175 1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.685 2.817 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.073 0.925 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.253 2.895 -0.202 1.00 0.00 H new ATOM 1708 N ILE A 113 1.910 -2.166 4.284 1.00 0.00 N ATOM 1709 CA ILE A 113 0.995 -2.010 5.402 1.00 0.00 C ATOM 1710 C ILE A 113 1.750 -1.422 6.595 1.00 0.00 C ATOM 1711 O ILE A 113 1.214 -0.589 7.325 1.00 0.00 O ATOM 1712 CB ILE A 113 0.294 -3.334 5.709 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.906 -3.547 4.784 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.100 -3.417 7.186 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.831 -4.910 4.093 1.00 0.00 C ATOM 0 H ILE A 113 1.938 -3.104 3.884 1.00 0.00 H new ATOM 0 HA ILE A 113 0.201 -1.307 5.150 1.00 0.00 H new ATOM 0 HB ILE A 113 0.997 -4.144 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.830 -3.477 5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.937 -2.756 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.597 -4.368 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.794 -3.343 7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.778 -2.599 7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.696 -5.036 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.082 -4.967 3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.825 -5.699 4.845 1.00 0.00 H new ATOM 1727 N ALA A 114 2.983 -1.879 6.758 1.00 0.00 N ATOM 1728 CA ALA A 114 3.818 -1.409 7.850 1.00 0.00 C ATOM 1729 C ALA A 114 4.135 0.073 7.643 1.00 0.00 C ATOM 1730 O ALA A 114 3.769 0.937 8.437 1.00 0.00 O ATOM 1731 CB ALA A 114 5.080 -2.269 7.936 1.00 0.00 C ATOM 0 H ALA A 114 3.424 -2.570 6.151 1.00 0.00 H new ATOM 0 HA ALA A 114 3.294 -1.504 8.801 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.706 -1.916 8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 114 4.801 -3.308 8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.634 -2.197 7.000 1.00 0.00 H new ATOM 1737 N TYR A 115 4.835 0.351 6.541 1.00 0.00 N ATOM 1738 CA TYR A 115 5.218 1.707 6.201 1.00 0.00 C ATOM 1739 C TYR A 115 4.010 2.627 6.310 1.00 0.00 C ATOM 1740 O TYR A 115 4.181 3.795 6.656 1.00 0.00 O ATOM 1741 CB TYR A 115 5.793 1.734 4.788 1.00 0.00 C ATOM 1742 CG TYR A 115 6.984 2.649 4.639 1.00 0.00 C ATOM 1743 CD1 TYR A 115 6.792 4.010 4.370 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.281 2.138 4.769 1.00 0.00 C ATOM 1745 CE1 TYR A 115 7.896 4.859 4.232 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.385 2.987 4.630 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.193 4.347 4.361 1.00 0.00 C ATOM 1748 OH TYR A 115 10.269 5.174 4.226 1.00 0.00 O ATOM 0 H TYR A 115 5.145 -0.354 5.872 1.00 0.00 H new ATOM 0 HA TYR A 115 5.981 2.058 6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.084 0.723 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.014 2.049 4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.792 4.404 4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.430 1.089 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 115 7.748 5.909 4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 115 10.385 2.593 4.730 1.00 0.00 H new ATOM 0 HH TYR A 115 11.094 4.659 4.346 1.00 0.00 H new ATOM 1758 N LEU A 116 2.832 2.096 6.017 1.00 0.00 N ATOM 1759 CA LEU A 116 1.615 2.887 6.089 1.00 0.00 C ATOM 1760 C LEU A 116 1.235 3.098 7.556 1.00 0.00 C ATOM 1761 O LEU A 116 0.841 4.196 7.946 1.00 0.00 O ATOM 1762 CB LEU A 116 0.507 2.244 5.253 1.00 0.00 C ATOM 1763 CG LEU A 116 -0.065 3.102 4.123 1.00 0.00 C ATOM 1764 CD1 LEU A 116 1.054 3.698 3.266 1.00 0.00 C ATOM 1765 CD2 LEU A 116 -1.067 2.307 3.284 1.00 0.00 C ATOM 0 H LEU A 116 2.694 1.127 5.729 1.00 0.00 H new ATOM 0 HA LEU A 116 1.776 3.874 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.894 1.321 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.309 1.966 5.920 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.608 3.935 4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.620 4.303 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.695 4.322 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.645 2.893 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.458 2.940 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.570 1.441 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.888 1.972 3.918 1.00 0.00 H new ATOM 1777 N LEU A 117 1.366 2.029 8.327 1.00 0.00 N ATOM 1778 CA LEU A 117 1.041 2.084 9.743 1.00 0.00 C ATOM 1779 C LEU A 117 2.300 2.436 10.537 1.00 0.00 C ATOM 1780 O LEU A 117 2.474 1.979 11.666 1.00 0.00 O ATOM 1781 CB LEU A 117 0.376 0.781 10.190 1.00 0.00 C ATOM 1782 CG LEU A 117 1.318 -0.394 10.461 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.681 -0.475 11.945 1.00 0.00 C ATOM 1784 CD2 LEU A 117 0.721 -1.705 9.944 1.00 0.00 C ATOM 0 H LEU A 117 1.692 1.120 7.999 1.00 0.00 H new ATOM 0 HA LEU A 117 0.311 2.870 9.937 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.195 0.980 11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.338 0.479 9.424 1.00 0.00 H new ATOM 0 HG LEU A 117 2.244 -0.223 9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.351 -1.319 12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.176 0.447 12.249 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.774 -0.611 12.534 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.410 -2.524 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.228 -1.895 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.555 -1.630 8.869 1.00 0.00 H new ATOM 1796 N THR A 118 3.145 3.247 9.917 1.00 0.00 N ATOM 1797 CA THR A 118 4.383 3.665 10.553 1.00 0.00 C ATOM 1798 C THR A 118 4.680 5.131 10.228 1.00 0.00 C ATOM 1799 O THR A 118 4.629 5.988 11.109 1.00 0.00 O ATOM 1800 CB THR A 118 5.491 2.708 10.108 1.00 0.00 C ATOM 1801 OG1 THR A 118 4.999 1.419 10.464 1.00 0.00 O ATOM 1802 CG2 THR A 118 6.767 2.863 10.937 1.00 0.00 C ATOM 0 H THR A 118 2.997 3.626 8.982 1.00 0.00 H new ATOM 0 HA THR A 118 4.307 3.613 11.639 1.00 0.00 H new ATOM 0 HB THR A 118 5.719 2.881 9.056 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.457 1.061 9.730 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.520 2.161 10.580 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.144 3.881 10.838 1.00 0.00 H new ATOM 0 HG23 THR A 118 6.547 2.658 11.985 1.00 0.00 H new ATOM 1810 N GLU A 119 4.983 5.374 8.961 1.00 0.00 N ATOM 1811 CA GLU A 119 5.287 6.721 8.510 1.00 0.00 C ATOM 1812 C GLU A 119 4.007 7.437 8.076 1.00 0.00 C ATOM 1813 O GLU A 119 3.830 7.739 6.897 1.00 0.00 O ATOM 1814 CB GLU A 119 6.315 6.700 7.376 1.00 0.00 C ATOM 1815 CG GLU A 119 7.609 6.015 7.822 1.00 0.00 C ATOM 1816 CD GLU A 119 8.730 7.038 8.020 1.00 0.00 C ATOM 1817 OE1 GLU A 119 9.221 7.548 6.990 1.00 0.00 O ATOM 1818 OE2 GLU A 119 9.070 7.287 9.197 1.00 0.00 O ATOM 0 H GLU A 119 5.024 4.661 8.233 1.00 0.00 H new ATOM 0 HA GLU A 119 5.724 7.272 9.343 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.901 6.177 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.530 7.720 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 119 7.437 5.474 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 119 7.911 5.279 7.077 1.00 0.00 H new ATOM 1825 N THR A 120 3.148 7.689 9.052 1.00 0.00 N ATOM 1826 CA THR A 120 1.890 8.365 8.786 1.00 0.00 C ATOM 1827 C THR A 120 2.046 9.875 8.970 1.00 0.00 C ATOM 1828 O THR A 120 1.462 10.457 9.883 1.00 0.00 O ATOM 1829 CB THR A 120 0.822 7.750 9.693 1.00 0.00 C ATOM 1830 OG1 THR A 120 1.283 8.030 11.012 1.00 0.00 O ATOM 1831 CG2 THR A 120 0.803 6.221 9.622 1.00 0.00 C ATOM 0 H THR A 120 3.298 7.437 10.029 1.00 0.00 H new ATOM 0 HA THR A 120 1.578 8.226 7.751 1.00 0.00 H new ATOM 0 HB THR A 120 -0.158 8.139 9.415 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.420 8.995 11.113 1.00 0.00 H new ATOM 0 HG21 THR A 120 0.028 5.836 10.284 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.596 5.907 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.772 5.830 9.932 1.00 0.00 H new ATOM 1839 N LYS A 121 2.837 10.468 8.087 1.00 0.00 N ATOM 1840 CA LYS A 121 3.078 11.900 8.140 1.00 0.00 C ATOM 1841 C LYS A 121 3.655 12.365 6.802 1.00 0.00 C ATOM 1842 O LYS A 121 4.360 11.637 6.107 1.00 0.00 O ATOM 1843 CB LYS A 121 3.954 12.251 9.344 1.00 0.00 C ATOM 1844 CG LYS A 121 5.343 11.622 9.214 1.00 0.00 C ATOM 1845 CD LYS A 121 5.568 10.563 10.295 1.00 0.00 C ATOM 1846 CE LYS A 121 6.998 10.627 10.836 1.00 0.00 C ATOM 1847 NZ LYS A 121 7.163 9.697 11.975 1.00 0.00 N ATOM 0 H LYS A 121 3.319 9.982 7.331 1.00 0.00 H new ATOM 0 HA LYS A 121 2.142 12.439 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.048 13.334 9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 121 3.477 11.901 10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.450 11.169 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.106 12.396 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.860 10.714 11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.375 9.572 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.704 10.372 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.228 11.644 11.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.139 9.753 12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.503 9.958 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.964 8.726 11.662 1.00 0.00 H new ATOM 1861 N PRO A 122 3.336 13.614 6.454 1.00 0.00 N ATOM 1862 CA PRO A 122 3.773 14.257 5.234 1.00 0.00 C ATOM 1863 C PRO A 122 5.195 14.771 5.409 1.00 0.00 C ATOM 1864 O PRO A 122 5.673 14.821 6.541 1.00 0.00 O ATOM 1865 CB PRO A 122 2.796 15.412 5.028 1.00 0.00 C ATOM 1866 CG PRO A 122 2.434 15.794 6.444 1.00 0.00 C ATOM 1867 CD PRO A 122 2.509 14.497 7.247 1.00 0.00 C ATOM 0 HA PRO A 122 3.781 13.582 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 122 3.256 16.241 4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 122 1.921 15.106 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 122 3.124 16.540 6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 122 1.435 16.227 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 122 2.944 14.667 8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 122 1.518 14.073 7.406 1.00 0.00 H new ATOM 1875 N THR A 123 5.835 15.135 4.307 1.00 0.00 N ATOM 1876 CA THR A 123 7.197 15.638 4.365 1.00 0.00 C ATOM 1877 C THR A 123 7.211 17.086 4.859 1.00 0.00 C ATOM 1878 O THR A 123 7.998 17.438 5.736 1.00 0.00 O ATOM 1879 CB THR A 123 7.824 15.463 2.980 1.00 0.00 C ATOM 1880 OG1 THR A 123 8.169 14.081 2.928 1.00 0.00 O ATOM 1881 CG2 THR A 123 9.166 16.186 2.849 1.00 0.00 C ATOM 0 H THR A 123 5.436 15.092 3.369 1.00 0.00 H new ATOM 0 HA THR A 123 7.795 15.077 5.083 1.00 0.00 H new ATOM 0 HB THR A 123 7.136 15.834 2.221 1.00 0.00 H new ATOM 0 HG1 THR A 123 8.581 13.879 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 123 9.567 16.030 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 123 9.023 17.253 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 123 9.865 15.791 3.586 1.00 0.00 H new ATOM 1889 N LYS A 124 6.331 17.885 4.275 1.00 0.00 N ATOM 1890 CA LYS A 124 6.232 19.287 4.646 1.00 0.00 C ATOM 1891 C LYS A 124 4.811 19.784 4.370 1.00 0.00 C ATOM 1892 O LYS A 124 4.025 19.971 5.297 1.00 0.00 O ATOM 1893 CB LYS A 124 7.317 20.105 3.942 1.00 0.00 C ATOM 1894 CG LYS A 124 8.498 20.370 4.878 1.00 0.00 C ATOM 1895 CD LYS A 124 8.444 21.793 5.437 1.00 0.00 C ATOM 1896 CE LYS A 124 9.698 22.581 5.051 1.00 0.00 C ATOM 1897 NZ LYS A 124 10.853 22.153 5.872 1.00 0.00 N ATOM 1898 OXT LYS A 124 4.501 19.984 3.176 1.00 0.00 O ATOM 0 H LYS A 124 5.680 17.589 3.548 1.00 0.00 H new ATOM 0 HA LYS A 124 6.412 19.412 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.663 19.571 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 124 6.899 21.052 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.485 19.652 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.434 20.222 4.340 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.558 22.303 5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.352 21.758 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.919 22.429 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.521 23.648 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.695 22.698 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 10.645 22.320 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.031 21.140 5.719 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.501 2.768 -5.333 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.369 2.665 -3.414 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.837 0.948 -2.930 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.645 2.702 -7.315 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.141 4.714 -7.658 1.00 0.00 C HETATM 1918 NA HEC A 125 -3.998 1.994 -3.539 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.239 2.016 -2.927 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.203 1.264 -1.695 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.948 0.786 -1.558 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.194 1.238 -2.703 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.396 -0.056 -0.445 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.370 1.074 -0.770 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.110 2.365 -0.433 1.00 0.00 C HETATM 1926 CGA HEC A 125 -7.274 2.526 1.072 1.00 0.00 C HETATM 1927 O1A HEC A 125 -6.241 2.432 1.769 1.00 0.00 O HETATM 1928 O2A HEC A 125 -8.430 2.741 1.497 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.602 2.050 -5.125 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.163 1.206 -4.119 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.109 0.622 -4.476 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.442 1.106 -5.691 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.620 1.995 -6.099 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.880 -0.342 -3.621 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.669 0.806 -6.500 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.937 -0.684 -6.693 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.049 3.476 -7.178 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.803 3.464 -7.780 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.781 4.372 -8.903 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.005 4.934 -8.984 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.799 4.379 -7.913 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.592 4.614 -9.788 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.494 5.945 -9.980 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.327 5.514 -11.435 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.355 3.553 -5.492 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.863 4.290 -6.548 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.265 4.563 -6.338 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.609 3.997 -5.162 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.423 3.366 -4.632 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.139 5.339 -7.280 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.953 3.996 -4.495 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.106 5.055 -3.406 1.00 0.00 C HETATM 1953 CGD HEC A 125 -9.068 4.425 -2.021 1.00 0.00 C HETATM 1954 O1D HEC A 125 -9.877 3.500 -1.795 1.00 0.00 O HETATM 1955 O2D HEC A 125 -8.230 4.882 -1.213 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.741 6.347 -7.399 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.161 4.841 -8.249 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.150 5.394 -6.877 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.236 4.994 -9.189 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.296 3.679 -10.264 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -0.851 5.344 -10.554 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.121 0.129 -2.668 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.278 -1.233 -3.443 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.802 -0.623 -4.130 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.488 0.482 0.498 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.953 -0.991 -0.386 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.345 -0.271 -0.638 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -8.308 5.792 -3.496 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -10.048 5.587 -3.541 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.271 5.341 -11.644 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -3.887 4.595 -11.609 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -3.704 6.298 -12.092 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.069 -1.159 -5.721 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.093 -1.142 -7.208 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.841 -0.817 -7.288 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -6.563 3.217 -0.835 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -8.090 2.361 -0.910 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -9.723 4.153 -5.251 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.130 3.013 -4.059 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -7.071 0.373 -1.224 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.017 0.617 0.155 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.651 5.351 -8.381 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.245 2.681 -7.943 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.274 0.489 -2.117 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.275 2.628 -2.810 1.00 0.00 H new HETATM 0 H2D HEC A 125 -8.573 4.791 -0.300 1.00 0.00 H new HETATM 0 H2A HEC A 125 -8.522 2.367 2.398 1.00 0.00 H new