USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.246 (180deg=-1.61!) USER MOD Single : A 4 SER OG : rot 130:sc= -1.64! USER MOD Single : A 8 THR OG1 : rot -90:sc= 0.816 USER MOD Single : A 10 ASN : amide:sc= -11.3! C(o=-11!,f=-22!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.166) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0674 K(o=-0.067,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0.121 K(o=0.12,f=-1.3!) USER MOD Single : A 41 SER OG : rot -70:sc= 1.15 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= -1.99 (180deg=-2) USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= -2.68 (180deg=-2.69) USER MOD Single : A 73 THR OG1 : rot 70:sc= -3.47! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00502 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -118:sc= -0.415 (180deg=-3.63) USER MOD Single : A 84 LYS NZ :NH3+ -124:sc=-0.000216 (180deg=-0.4) USER MOD Single : A 91 GLN : amide:sc= -0.74 K(o=-0.74,f=-3.1!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.810 6.065 12.672 1.00 0.00 N ATOM 21 CA LYS A 2 -13.759 5.049 12.128 1.00 0.00 C ATOM 22 C LYS A 2 -13.116 4.301 10.946 1.00 0.00 C ATOM 23 O LYS A 2 -12.098 3.661 11.108 1.00 0.00 O ATOM 24 CB LYS A 2 -15.002 5.839 11.707 1.00 0.00 C ATOM 25 CG LYS A 2 -15.738 6.334 12.956 1.00 0.00 C ATOM 26 CD LYS A 2 -17.066 6.971 12.545 1.00 0.00 C ATOM 27 CE LYS A 2 -17.818 7.444 13.794 1.00 0.00 C ATOM 28 NZ LYS A 2 -16.858 8.320 14.524 1.00 0.00 N ATOM 0 HA LYS A 2 -14.020 4.283 12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.715 6.684 11.082 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.661 5.210 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.917 5.504 13.639 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.124 7.059 13.490 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.886 7.813 11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.671 6.251 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -18.722 7.990 13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -18.127 6.600 14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.384 9.016 15.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.266 7.739 15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.252 8.817 13.840 1.00 0.00 H new ATOM 42 N GLU A 3 -13.691 4.350 9.767 1.00 0.00 N ATOM 43 CA GLU A 3 -13.077 3.613 8.625 1.00 0.00 C ATOM 44 C GLU A 3 -12.893 4.517 7.400 1.00 0.00 C ATOM 45 O GLU A 3 -13.642 5.447 7.177 1.00 0.00 O ATOM 46 CB GLU A 3 -14.061 2.487 8.309 1.00 0.00 C ATOM 47 CG GLU A 3 -14.203 1.579 9.532 1.00 0.00 C ATOM 48 CD GLU A 3 -15.111 0.392 9.194 1.00 0.00 C ATOM 49 OE1 GLU A 3 -15.705 0.405 8.128 1.00 0.00 O ATOM 50 OE2 GLU A 3 -15.195 -0.512 10.010 1.00 0.00 O ATOM 0 H GLU A 3 -14.547 4.862 9.551 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.083 3.244 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.031 2.903 8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.709 1.911 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.223 1.221 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.620 2.141 10.368 1.00 0.00 H new ATOM 57 N SER A 4 -11.918 4.209 6.589 1.00 0.00 N ATOM 58 CA SER A 4 -11.682 4.990 5.344 1.00 0.00 C ATOM 59 C SER A 4 -11.237 4.016 4.264 1.00 0.00 C ATOM 60 O SER A 4 -10.452 3.128 4.526 1.00 0.00 O ATOM 61 CB SER A 4 -10.558 5.966 5.668 1.00 0.00 C ATOM 62 OG SER A 4 -10.623 7.071 4.777 1.00 0.00 O ATOM 0 H SER A 4 -11.267 3.439 6.739 1.00 0.00 H new ATOM 0 HA SER A 4 -12.568 5.523 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.645 6.310 6.699 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.592 5.469 5.579 1.00 0.00 H new ATOM 0 HG SER A 4 -10.591 7.906 5.289 1.00 0.00 H new ATOM 68 N VAL A 5 -11.726 4.142 3.066 1.00 0.00 N ATOM 69 CA VAL A 5 -11.306 3.172 2.017 1.00 0.00 C ATOM 70 C VAL A 5 -10.316 3.800 1.038 1.00 0.00 C ATOM 71 O VAL A 5 -10.616 4.757 0.353 1.00 0.00 O ATOM 72 CB VAL A 5 -12.596 2.773 1.300 1.00 0.00 C ATOM 73 CG1 VAL A 5 -13.534 2.084 2.292 1.00 0.00 C ATOM 74 CG2 VAL A 5 -13.283 4.020 0.735 1.00 0.00 C ATOM 0 H VAL A 5 -12.387 4.860 2.769 1.00 0.00 H new ATOM 0 HA VAL A 5 -10.794 2.313 2.451 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.358 2.092 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.455 1.798 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.049 1.194 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.767 2.768 3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.202 3.730 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.521 4.705 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.616 4.514 0.028 1.00 0.00 H new ATOM 84 N VAL A 6 -9.140 3.243 0.954 1.00 0.00 N ATOM 85 CA VAL A 6 -8.127 3.769 0.009 1.00 0.00 C ATOM 86 C VAL A 6 -7.776 2.669 -0.989 1.00 0.00 C ATOM 87 O VAL A 6 -7.488 1.548 -0.624 1.00 0.00 O ATOM 88 CB VAL A 6 -6.915 4.125 0.866 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.818 4.713 -0.023 1.00 0.00 C ATOM 90 CG2 VAL A 6 -7.323 5.157 1.917 1.00 0.00 C ATOM 0 H VAL A 6 -8.839 2.440 1.506 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.477 4.636 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.542 3.228 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.952 4.968 0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.528 3.980 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.191 5.611 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.459 5.413 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.694 6.054 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.107 4.741 2.550 1.00 0.00 H new ATOM 100 N TRP A 7 -7.842 2.974 -2.240 1.00 0.00 N ATOM 101 CA TRP A 7 -7.560 1.954 -3.284 1.00 0.00 C ATOM 102 C TRP A 7 -6.066 1.602 -3.416 1.00 0.00 C ATOM 103 O TRP A 7 -5.173 2.331 -3.033 1.00 0.00 O ATOM 104 CB TRP A 7 -8.066 2.579 -4.588 1.00 0.00 C ATOM 105 CG TRP A 7 -9.559 2.744 -4.552 1.00 0.00 C ATOM 106 CD1 TRP A 7 -10.351 2.557 -3.467 1.00 0.00 C ATOM 107 CD2 TRP A 7 -10.450 3.122 -5.643 1.00 0.00 C ATOM 108 NE1 TRP A 7 -11.665 2.799 -3.824 1.00 0.00 N ATOM 109 CE2 TRP A 7 -11.777 3.149 -5.155 1.00 0.00 C ATOM 110 CE3 TRP A 7 -10.235 3.441 -6.996 1.00 0.00 C ATOM 111 CZ2 TRP A 7 -12.853 3.482 -5.979 1.00 0.00 C ATOM 112 CZ3 TRP A 7 -11.316 3.775 -7.830 1.00 0.00 C ATOM 113 CH2 TRP A 7 -12.622 3.796 -7.321 1.00 0.00 C ATOM 0 H TRP A 7 -8.082 3.899 -2.597 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.049 1.014 -3.029 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.591 3.548 -4.741 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.785 1.950 -5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.011 2.266 -2.484 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -12.455 2.728 -3.183 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -9.232 3.429 -7.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -13.857 3.497 -5.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -11.140 4.017 -8.868 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -13.449 4.055 -7.966 1.00 0.00 H new ATOM 124 N THR A 8 -5.847 0.480 -4.035 1.00 0.00 N ATOM 125 CA THR A 8 -4.452 0.012 -4.314 1.00 0.00 C ATOM 126 C THR A 8 -3.814 0.892 -5.401 1.00 0.00 C ATOM 127 O THR A 8 -2.650 1.222 -5.345 1.00 0.00 O ATOM 128 CB THR A 8 -4.554 -1.428 -4.814 1.00 0.00 C ATOM 129 OG1 THR A 8 -5.755 -1.592 -5.550 1.00 0.00 O ATOM 130 CG2 THR A 8 -4.520 -2.394 -3.627 1.00 0.00 C ATOM 0 H THR A 8 -6.581 -0.146 -4.367 1.00 0.00 H new ATOM 0 HA THR A 8 -3.835 0.073 -3.417 1.00 0.00 H new ATOM 0 HB THR A 8 -3.708 -1.647 -5.466 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.473 -1.874 -4.946 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.593 -3.419 -3.990 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.585 -2.268 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.358 -2.184 -2.963 1.00 0.00 H new ATOM 138 N VAL A 9 -4.572 1.233 -6.409 1.00 0.00 N ATOM 139 CA VAL A 9 -4.029 2.047 -7.544 1.00 0.00 C ATOM 140 C VAL A 9 -3.973 3.556 -7.253 1.00 0.00 C ATOM 141 O VAL A 9 -3.308 4.290 -7.954 1.00 0.00 O ATOM 142 CB VAL A 9 -5.000 1.776 -8.694 1.00 0.00 C ATOM 143 CG1 VAL A 9 -5.013 0.279 -9.008 1.00 0.00 C ATOM 144 CG2 VAL A 9 -6.407 2.221 -8.285 1.00 0.00 C ATOM 0 H VAL A 9 -5.556 0.981 -6.498 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.997 1.767 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.683 2.330 -9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.705 0.085 -9.828 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.011 -0.041 -9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.332 -0.275 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.101 2.029 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.723 1.664 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.400 3.287 -8.058 1.00 0.00 H new ATOM 154 N ASN A 10 -4.680 4.044 -6.272 1.00 0.00 N ATOM 155 CA ASN A 10 -4.656 5.519 -6.022 1.00 0.00 C ATOM 156 C ASN A 10 -3.423 5.935 -5.211 1.00 0.00 C ATOM 157 O ASN A 10 -3.235 7.098 -4.919 1.00 0.00 O ATOM 158 CB ASN A 10 -5.950 5.815 -5.249 1.00 0.00 C ATOM 159 CG ASN A 10 -5.775 5.488 -3.762 1.00 0.00 C ATOM 160 OD1 ASN A 10 -6.242 4.480 -3.295 1.00 0.00 O ATOM 161 ND2 ASN A 10 -5.098 6.305 -3.001 1.00 0.00 N ATOM 0 H ASN A 10 -5.266 3.499 -5.640 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.597 6.081 -6.954 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.219 6.865 -5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.770 5.227 -5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.965 6.090 -2.013 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.702 7.159 -3.395 1.00 0.00 H new ATOM 168 N LEU A 11 -2.585 5.009 -4.843 1.00 0.00 N ATOM 169 CA LEU A 11 -1.379 5.385 -4.056 1.00 0.00 C ATOM 170 C LEU A 11 -0.142 5.404 -4.957 1.00 0.00 C ATOM 171 O LEU A 11 0.912 5.860 -4.563 1.00 0.00 O ATOM 172 CB LEU A 11 -1.249 4.305 -2.982 1.00 0.00 C ATOM 173 CG LEU A 11 -1.203 4.962 -1.601 1.00 0.00 C ATOM 174 CD1 LEU A 11 -2.627 5.231 -1.111 1.00 0.00 C ATOM 175 CD2 LEU A 11 -0.498 4.025 -0.618 1.00 0.00 C ATOM 0 H LEU A 11 -2.681 4.015 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.466 6.380 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.091 3.616 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.345 3.719 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.659 5.904 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.591 5.699 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.133 5.896 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.173 4.290 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.464 4.490 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.045 3.084 -0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.518 3.832 -0.964 1.00 0.00 H new ATOM 187 N ASP A 12 -0.253 4.908 -6.162 1.00 0.00 N ATOM 188 CA ASP A 12 0.934 4.904 -7.065 1.00 0.00 C ATOM 189 C ASP A 12 0.802 5.959 -8.165 1.00 0.00 C ATOM 190 O ASP A 12 -0.281 6.374 -8.528 1.00 0.00 O ATOM 191 CB ASP A 12 0.984 3.497 -7.668 1.00 0.00 C ATOM 192 CG ASP A 12 -0.329 3.179 -8.387 1.00 0.00 C ATOM 193 OD1 ASP A 12 -1.039 4.108 -8.726 1.00 0.00 O ATOM 194 OD2 ASP A 12 -0.601 2.007 -8.588 1.00 0.00 O ATOM 0 H ASP A 12 -1.105 4.510 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 12 1.846 5.147 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.816 3.424 -8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.163 2.763 -6.882 1.00 0.00 H new ATOM 199 N SER A 13 1.910 6.390 -8.696 1.00 0.00 N ATOM 200 CA SER A 13 1.883 7.411 -9.780 1.00 0.00 C ATOM 201 C SER A 13 1.973 6.729 -11.152 1.00 0.00 C ATOM 202 O SER A 13 1.674 7.321 -12.170 1.00 0.00 O ATOM 203 CB SER A 13 3.114 8.279 -9.525 1.00 0.00 C ATOM 204 OG SER A 13 2.708 9.634 -9.369 1.00 0.00 O ATOM 0 H SER A 13 2.842 6.076 -8.424 1.00 0.00 H new ATOM 0 HA SER A 13 0.963 7.996 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.635 7.938 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.815 8.190 -10.355 1.00 0.00 H new ATOM 0 HG SER A 13 3.495 10.194 -9.203 1.00 0.00 H new ATOM 210 N LYS A 14 2.373 5.483 -11.186 1.00 0.00 N ATOM 211 CA LYS A 14 2.473 4.759 -12.488 1.00 0.00 C ATOM 212 C LYS A 14 1.104 4.718 -13.174 1.00 0.00 C ATOM 213 O LYS A 14 0.997 4.664 -14.383 1.00 0.00 O ATOM 214 CB LYS A 14 2.928 3.348 -12.114 1.00 0.00 C ATOM 215 CG LYS A 14 3.195 2.540 -13.385 1.00 0.00 C ATOM 216 CD LYS A 14 3.578 1.108 -13.007 1.00 0.00 C ATOM 217 CE LYS A 14 4.041 0.357 -14.254 1.00 0.00 C ATOM 218 NZ LYS A 14 4.678 -0.885 -13.737 1.00 0.00 N ATOM 0 H LYS A 14 2.635 4.936 -10.366 1.00 0.00 H new ATOM 0 HA LYS A 14 3.161 5.241 -13.182 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.831 3.396 -11.505 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.164 2.856 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.308 2.535 -14.019 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.997 3.002 -13.961 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.372 1.118 -12.260 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.725 0.599 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.202 0.127 -14.911 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.747 0.951 -14.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.023 -1.456 -14.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.477 -0.634 -13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.980 -1.433 -13.195 1.00 0.00 H new ATOM 232 N LYS A 15 0.059 4.733 -12.397 1.00 0.00 N ATOM 233 CA LYS A 15 -1.315 4.681 -12.970 1.00 0.00 C ATOM 234 C LYS A 15 -1.811 6.097 -13.295 1.00 0.00 C ATOM 235 O LYS A 15 -1.397 7.065 -12.689 1.00 0.00 O ATOM 236 CB LYS A 15 -2.159 4.028 -11.877 1.00 0.00 C ATOM 237 CG LYS A 15 -1.649 2.604 -11.641 1.00 0.00 C ATOM 238 CD LYS A 15 -2.556 1.889 -10.640 1.00 0.00 C ATOM 239 CE LYS A 15 -1.980 0.507 -10.326 1.00 0.00 C ATOM 240 NZ LYS A 15 -2.344 -0.337 -11.498 1.00 0.00 N ATOM 0 H LYS A 15 0.098 4.780 -11.379 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.364 4.123 -13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.097 4.608 -10.956 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.208 4.009 -12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.627 2.055 -12.582 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.627 2.632 -11.264 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.640 2.476 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.561 1.791 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.899 0.551 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.400 0.105 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.947 -1.125 -11.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.860 0.239 -12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.480 -0.715 -11.935 1.00 0.00 H new ATOM 254 N SER A 16 -2.684 6.222 -14.262 1.00 0.00 N ATOM 255 CA SER A 16 -3.205 7.571 -14.654 1.00 0.00 C ATOM 256 C SER A 16 -4.426 7.961 -13.810 1.00 0.00 C ATOM 257 O SER A 16 -4.914 7.192 -13.013 1.00 0.00 O ATOM 258 CB SER A 16 -3.600 7.425 -16.123 1.00 0.00 C ATOM 259 OG SER A 16 -2.436 7.174 -16.899 1.00 0.00 O ATOM 0 H SER A 16 -3.062 5.443 -14.802 1.00 0.00 H new ATOM 0 HA SER A 16 -2.461 8.352 -14.496 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.313 6.609 -16.241 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.094 8.332 -16.471 1.00 0.00 H new ATOM 0 HG SER A 16 -2.686 7.078 -17.842 1.00 0.00 H new ATOM 265 N ARG A 17 -4.917 9.161 -13.984 1.00 0.00 N ATOM 266 CA ARG A 17 -6.099 9.620 -13.192 1.00 0.00 C ATOM 267 C ARG A 17 -7.284 8.663 -13.354 1.00 0.00 C ATOM 268 O ARG A 17 -7.984 8.372 -12.404 1.00 0.00 O ATOM 269 CB ARG A 17 -6.447 10.995 -13.761 1.00 0.00 C ATOM 270 CG ARG A 17 -7.598 11.604 -12.957 1.00 0.00 C ATOM 271 CD ARG A 17 -8.017 12.933 -13.591 1.00 0.00 C ATOM 272 NE ARG A 17 -6.803 13.792 -13.519 1.00 0.00 N ATOM 273 CZ ARG A 17 -6.100 14.017 -14.595 1.00 0.00 C ATOM 274 NH1 ARG A 17 -6.698 14.272 -15.725 1.00 0.00 N ATOM 275 NH2 ARG A 17 -4.797 13.985 -14.541 1.00 0.00 N ATOM 0 H ARG A 17 -4.549 9.846 -14.644 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.876 9.654 -12.126 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.575 11.648 -13.720 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.730 10.905 -14.810 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.444 10.917 -12.935 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.290 11.763 -11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.342 12.794 -14.622 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.851 13.382 -13.052 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.521 14.204 -12.630 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.717 14.296 -15.769 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.147 14.448 -16.565 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.328 13.784 -13.658 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.247 14.161 -15.382 1.00 0.00 H new ATOM 289 N ALA A 18 -7.523 8.169 -14.539 1.00 0.00 N ATOM 290 CA ALA A 18 -8.671 7.234 -14.724 1.00 0.00 C ATOM 291 C ALA A 18 -8.503 6.041 -13.783 1.00 0.00 C ATOM 292 O ALA A 18 -9.452 5.534 -13.219 1.00 0.00 O ATOM 293 CB ALA A 18 -8.591 6.788 -16.184 1.00 0.00 C ATOM 0 H ALA A 18 -6.980 8.369 -15.379 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.634 7.694 -14.501 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.405 6.096 -16.398 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.674 7.658 -16.835 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.637 6.291 -16.361 1.00 0.00 H new ATOM 299 N GLU A 19 -7.291 5.600 -13.614 1.00 0.00 N ATOM 300 CA GLU A 19 -7.042 4.443 -12.707 1.00 0.00 C ATOM 301 C GLU A 19 -7.600 4.764 -11.317 1.00 0.00 C ATOM 302 O GLU A 19 -8.012 3.888 -10.583 1.00 0.00 O ATOM 303 CB GLU A 19 -5.527 4.275 -12.651 1.00 0.00 C ATOM 304 CG GLU A 19 -4.994 3.941 -14.046 1.00 0.00 C ATOM 305 CD GLU A 19 -5.597 2.616 -14.521 1.00 0.00 C ATOM 306 OE1 GLU A 19 -6.103 1.884 -13.685 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.540 2.356 -15.711 1.00 0.00 O ATOM 0 H GLU A 19 -6.461 5.988 -14.063 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.524 3.530 -13.057 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.063 5.190 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.265 3.481 -11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.247 4.739 -14.744 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.907 3.870 -14.024 1.00 0.00 H new ATOM 314 N GLY A 20 -7.621 6.019 -10.956 1.00 0.00 N ATOM 315 CA GLY A 20 -8.159 6.403 -9.620 1.00 0.00 C ATOM 316 C GLY A 20 -7.047 7.012 -8.767 1.00 0.00 C ATOM 317 O GLY A 20 -6.850 6.633 -7.630 1.00 0.00 O ATOM 0 H GLY A 20 -7.289 6.795 -11.529 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.972 7.119 -9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.575 5.528 -9.120 1.00 0.00 H new ATOM 321 N ARG A 21 -6.312 7.950 -9.301 1.00 0.00 N ATOM 322 CA ARG A 21 -5.213 8.569 -8.506 1.00 0.00 C ATOM 323 C ARG A 21 -5.777 9.425 -7.371 1.00 0.00 C ATOM 324 O ARG A 21 -6.588 10.306 -7.582 1.00 0.00 O ATOM 325 CB ARG A 21 -4.449 9.445 -9.495 1.00 0.00 C ATOM 326 CG ARG A 21 -3.769 8.560 -10.538 1.00 0.00 C ATOM 327 CD ARG A 21 -2.993 9.437 -11.522 1.00 0.00 C ATOM 328 NE ARG A 21 -1.861 9.991 -10.730 1.00 0.00 N ATOM 329 CZ ARG A 21 -1.317 11.127 -11.074 1.00 0.00 C ATOM 330 NH1 ARG A 21 -2.030 12.221 -11.065 1.00 0.00 N ATOM 331 NH2 ARG A 21 -0.061 11.167 -11.426 1.00 0.00 N ATOM 0 H ARG A 21 -6.424 8.313 -10.248 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.577 7.814 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.131 10.142 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.705 10.043 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.094 7.857 -10.050 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.514 7.969 -11.070 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.634 8.856 -12.371 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.621 10.232 -11.923 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.510 9.483 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.011 12.188 -10.789 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.605 13.109 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.494 10.311 -11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.365 12.054 -11.695 1.00 0.00 H new ATOM 345 N ARG A 22 -5.339 9.175 -6.172 1.00 0.00 N ATOM 346 CA ARG A 22 -5.821 9.970 -5.008 1.00 0.00 C ATOM 347 C ARG A 22 -4.631 10.356 -4.113 1.00 0.00 C ATOM 348 O ARG A 22 -4.799 10.843 -3.013 1.00 0.00 O ATOM 349 CB ARG A 22 -6.773 9.028 -4.273 1.00 0.00 C ATOM 350 CG ARG A 22 -7.895 8.594 -5.218 1.00 0.00 C ATOM 351 CD ARG A 22 -8.797 7.584 -4.505 1.00 0.00 C ATOM 352 NE ARG A 22 -9.776 7.148 -5.538 1.00 0.00 N ATOM 353 CZ ARG A 22 -11.056 7.206 -5.287 1.00 0.00 C ATOM 354 NH1 ARG A 22 -11.605 6.325 -4.497 1.00 0.00 N ATOM 355 NH2 ARG A 22 -11.784 8.147 -5.824 1.00 0.00 N ATOM 0 H ARG A 22 -4.661 8.447 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.311 10.899 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.230 8.155 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.192 9.527 -3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.477 9.461 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.474 8.149 -6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.222 6.740 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.300 8.037 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.447 6.804 -6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.034 5.592 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.605 6.369 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.353 8.837 -6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.784 8.193 -5.628 1.00 0.00 H new ATOM 369 N ILE A 23 -3.427 10.132 -4.582 1.00 0.00 N ATOM 370 CA ILE A 23 -2.223 10.471 -3.769 1.00 0.00 C ATOM 371 C ILE A 23 -1.364 11.513 -4.503 1.00 0.00 C ATOM 372 O ILE A 23 -1.213 11.447 -5.706 1.00 0.00 O ATOM 373 CB ILE A 23 -1.471 9.143 -3.627 1.00 0.00 C ATOM 374 CG1 ILE A 23 -0.311 9.311 -2.647 1.00 0.00 C ATOM 375 CG2 ILE A 23 -0.921 8.703 -4.988 1.00 0.00 C ATOM 376 CD1 ILE A 23 -0.856 9.415 -1.221 1.00 0.00 C ATOM 0 H ILE A 23 -3.229 9.727 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.475 10.904 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.161 8.386 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.371 8.464 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.261 10.205 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.388 7.759 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.745 8.574 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.237 9.463 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.028 9.535 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.520 10.276 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.409 8.508 -0.976 1.00 0.00 H new ATOM 388 N PRO A 24 -0.825 12.446 -3.758 1.00 0.00 N ATOM 389 CA PRO A 24 0.022 13.493 -4.370 1.00 0.00 C ATOM 390 C PRO A 24 1.407 12.935 -4.709 1.00 0.00 C ATOM 391 O PRO A 24 1.965 12.128 -3.992 1.00 0.00 O ATOM 392 CB PRO A 24 0.112 14.564 -3.292 1.00 0.00 C ATOM 393 CG PRO A 24 -0.122 13.845 -2.003 1.00 0.00 C ATOM 394 CD PRO A 24 -0.948 12.618 -2.305 1.00 0.00 C ATOM 0 HA PRO A 24 -0.384 13.876 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.088 15.050 -3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.633 15.344 -3.449 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.826 13.564 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.641 14.490 -1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.575 11.746 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.988 12.755 -2.007 1.00 0.00 H new ATOM 402 N ARG A 25 1.952 13.365 -5.806 1.00 0.00 N ATOM 403 CA ARG A 25 3.296 12.883 -6.237 1.00 0.00 C ATOM 404 C ARG A 25 4.359 13.151 -5.163 1.00 0.00 C ATOM 405 O ARG A 25 5.360 12.468 -5.087 1.00 0.00 O ATOM 406 CB ARG A 25 3.599 13.695 -7.489 1.00 0.00 C ATOM 407 CG ARG A 25 4.918 13.222 -8.101 1.00 0.00 C ATOM 408 CD ARG A 25 5.259 14.087 -9.316 1.00 0.00 C ATOM 409 NE ARG A 25 6.474 13.461 -9.906 1.00 0.00 N ATOM 410 CZ ARG A 25 7.620 14.082 -9.851 1.00 0.00 C ATOM 411 NH1 ARG A 25 7.725 15.300 -10.308 1.00 0.00 N ATOM 412 NH2 ARG A 25 8.663 13.486 -9.338 1.00 0.00 N ATOM 0 H ARG A 25 1.520 14.041 -6.436 1.00 0.00 H new ATOM 0 HA ARG A 25 3.306 11.807 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.791 13.583 -8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.661 14.755 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.717 13.284 -7.362 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.839 12.176 -8.397 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.437 14.104 -10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.449 15.120 -9.024 1.00 0.00 H new ATOM 0 HE ARG A 25 6.410 12.547 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.911 15.766 -10.708 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.621 15.785 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.582 12.534 -8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.559 13.972 -9.295 1.00 0.00 H new ATOM 426 N ARG A 26 4.166 14.158 -4.358 1.00 0.00 N ATOM 427 CA ARG A 26 5.185 14.489 -3.319 1.00 0.00 C ATOM 428 C ARG A 26 5.430 13.297 -2.388 1.00 0.00 C ATOM 429 O ARG A 26 6.542 13.057 -1.959 1.00 0.00 O ATOM 430 CB ARG A 26 4.594 15.673 -2.546 1.00 0.00 C ATOM 431 CG ARG A 26 3.359 15.223 -1.759 1.00 0.00 C ATOM 432 CD ARG A 26 2.547 16.447 -1.325 1.00 0.00 C ATOM 433 NE ARG A 26 3.496 17.289 -0.543 1.00 0.00 N ATOM 434 CZ ARG A 26 3.117 17.821 0.588 1.00 0.00 C ATOM 435 NH1 ARG A 26 2.441 18.939 0.588 1.00 0.00 N ATOM 436 NH2 ARG A 26 3.415 17.238 1.716 1.00 0.00 N ATOM 0 H ARG A 26 3.348 14.767 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 26 6.151 14.731 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.340 16.082 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.323 16.471 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.744 14.566 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.663 14.648 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.159 16.988 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.689 16.156 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 26 4.441 17.450 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.210 19.395 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.144 19.356 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.944 16.366 1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.119 17.654 2.599 1.00 0.00 H new ATOM 450 N PHE A 27 4.414 12.545 -2.072 1.00 0.00 N ATOM 451 CA PHE A 27 4.617 11.375 -1.171 1.00 0.00 C ATOM 452 C PHE A 27 3.849 10.161 -1.696 1.00 0.00 C ATOM 453 O PHE A 27 3.280 9.401 -0.939 1.00 0.00 O ATOM 454 CB PHE A 27 4.070 11.812 0.188 1.00 0.00 C ATOM 455 CG PHE A 27 5.169 11.724 1.221 1.00 0.00 C ATOM 456 CD1 PHE A 27 5.495 10.488 1.794 1.00 0.00 C ATOM 457 CD2 PHE A 27 5.860 12.879 1.606 1.00 0.00 C ATOM 458 CE1 PHE A 27 6.514 10.407 2.750 1.00 0.00 C ATOM 459 CE2 PHE A 27 6.879 12.797 2.564 1.00 0.00 C ATOM 460 CZ PHE A 27 7.205 11.562 3.136 1.00 0.00 C ATOM 0 H PHE A 27 3.457 12.687 -2.396 1.00 0.00 H new ATOM 0 HA PHE A 27 5.665 11.083 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.691 12.832 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.232 11.177 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.960 9.598 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.608 13.832 1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.767 9.454 3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.413 13.687 2.861 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.990 11.500 3.875 1.00 0.00 H new ATOM 470 N ALA A 28 3.837 9.966 -2.985 1.00 0.00 N ATOM 471 CA ALA A 28 3.111 8.788 -3.543 1.00 0.00 C ATOM 472 C ALA A 28 4.108 7.716 -3.996 1.00 0.00 C ATOM 473 O ALA A 28 5.105 8.007 -4.627 1.00 0.00 O ATOM 474 CB ALA A 28 2.328 9.333 -4.738 1.00 0.00 C ATOM 0 H ALA A 28 4.294 10.565 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 28 2.457 8.321 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.766 8.524 -5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.638 10.106 -4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.021 9.758 -5.464 1.00 0.00 H new ATOM 480 N VAL A 29 3.844 6.478 -3.675 1.00 0.00 N ATOM 481 CA VAL A 29 4.774 5.382 -4.081 1.00 0.00 C ATOM 482 C VAL A 29 4.201 4.618 -5.284 1.00 0.00 C ATOM 483 O VAL A 29 3.168 3.987 -5.178 1.00 0.00 O ATOM 484 CB VAL A 29 4.872 4.469 -2.855 1.00 0.00 C ATOM 485 CG1 VAL A 29 3.501 3.871 -2.529 1.00 0.00 C ATOM 486 CG2 VAL A 29 5.862 3.339 -3.145 1.00 0.00 C ATOM 0 H VAL A 29 3.024 6.177 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 29 5.751 5.759 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 29 5.215 5.054 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.585 3.224 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.794 4.674 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.147 3.288 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.935 2.687 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.515 2.763 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.842 3.762 -3.365 1.00 0.00 H new ATOM 496 N PRO A 30 4.891 4.696 -6.397 1.00 0.00 N ATOM 497 CA PRO A 30 4.431 4.000 -7.626 1.00 0.00 C ATOM 498 C PRO A 30 4.493 2.485 -7.433 1.00 0.00 C ATOM 499 O PRO A 30 5.218 1.987 -6.594 1.00 0.00 O ATOM 500 CB PRO A 30 5.415 4.466 -8.698 1.00 0.00 C ATOM 501 CG PRO A 30 6.636 4.868 -7.938 1.00 0.00 C ATOM 502 CD PRO A 30 6.151 5.417 -6.623 1.00 0.00 C ATOM 0 HA PRO A 30 3.397 4.226 -7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.635 3.669 -9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.011 5.301 -9.271 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.297 4.015 -7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.206 5.618 -8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.868 5.234 -5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.994 6.495 -6.671 1.00 0.00 H new ATOM 510 N ASN A 31 3.726 1.744 -8.192 1.00 0.00 N ATOM 511 CA ASN A 31 3.734 0.255 -8.039 1.00 0.00 C ATOM 512 C ASN A 31 3.247 -0.132 -6.638 1.00 0.00 C ATOM 513 O ASN A 31 3.978 -0.693 -5.846 1.00 0.00 O ATOM 514 CB ASN A 31 5.186 -0.184 -8.249 1.00 0.00 C ATOM 515 CG ASN A 31 5.218 -1.671 -8.612 1.00 0.00 C ATOM 516 OD1 ASN A 31 4.189 -2.309 -8.699 1.00 0.00 O ATOM 517 ND2 ASN A 31 6.366 -2.253 -8.827 1.00 0.00 N ATOM 0 H ASN A 31 3.096 2.103 -8.909 1.00 0.00 H new ATOM 0 HA ASN A 31 3.070 -0.229 -8.755 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.645 0.406 -9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.766 -0.006 -7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.398 -3.244 -9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.231 -1.717 -8.754 1.00 0.00 H new ATOM 524 N VAL A 32 2.020 0.186 -6.324 1.00 0.00 N ATOM 525 CA VAL A 32 1.482 -0.142 -4.967 1.00 0.00 C ATOM 526 C VAL A 32 1.570 -1.646 -4.714 1.00 0.00 C ATOM 527 O VAL A 32 0.944 -2.438 -5.390 1.00 0.00 O ATOM 528 CB VAL A 32 0.013 0.290 -5.001 1.00 0.00 C ATOM 529 CG1 VAL A 32 -0.074 1.814 -5.039 1.00 0.00 C ATOM 530 CG2 VAL A 32 -0.666 -0.295 -6.246 1.00 0.00 C ATOM 0 H VAL A 32 1.365 0.659 -6.947 1.00 0.00 H new ATOM 0 HA VAL A 32 2.043 0.358 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.491 -0.077 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.120 2.118 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.404 2.228 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.432 2.185 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.711 0.013 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.161 0.069 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.609 -1.383 -6.214 1.00 0.00 H new ATOM 540 N LYS A 33 2.363 -2.045 -3.758 1.00 0.00 N ATOM 541 CA LYS A 33 2.524 -3.500 -3.466 1.00 0.00 C ATOM 542 C LYS A 33 1.875 -3.851 -2.130 1.00 0.00 C ATOM 543 O LYS A 33 1.889 -3.072 -1.205 1.00 0.00 O ATOM 544 CB LYS A 33 4.051 -3.734 -3.392 1.00 0.00 C ATOM 545 CG LYS A 33 4.710 -2.692 -2.461 1.00 0.00 C ATOM 546 CD LYS A 33 6.150 -3.107 -2.115 1.00 0.00 C ATOM 547 CE LYS A 33 6.957 -3.265 -3.405 1.00 0.00 C ATOM 548 NZ LYS A 33 8.376 -3.335 -2.963 1.00 0.00 N ATOM 0 H LYS A 33 2.910 -1.423 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 33 2.049 -4.120 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.254 -4.740 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.485 -3.666 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.714 -1.715 -2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.125 -2.592 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.612 -2.357 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.146 -4.044 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.666 -4.166 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.794 -2.424 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.993 -3.444 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.626 -2.461 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.502 -4.149 -2.329 1.00 0.00 H new ATOM 562 N LEU A 34 1.317 -5.021 -2.010 1.00 0.00 N ATOM 563 CA LEU A 34 0.696 -5.400 -0.710 1.00 0.00 C ATOM 564 C LEU A 34 1.765 -5.434 0.374 1.00 0.00 C ATOM 565 O LEU A 34 1.525 -5.076 1.509 1.00 0.00 O ATOM 566 CB LEU A 34 0.117 -6.797 -0.908 1.00 0.00 C ATOM 567 CG LEU A 34 -0.511 -7.264 0.408 1.00 0.00 C ATOM 568 CD1 LEU A 34 -1.868 -6.584 0.593 1.00 0.00 C ATOM 569 CD2 LEU A 34 -0.701 -8.782 0.376 1.00 0.00 C ATOM 0 H LEU A 34 1.263 -5.725 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.073 -4.689 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.632 -6.786 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.900 -7.489 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 34 0.146 -7.000 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.316 -6.916 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.733 -5.503 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.524 -6.848 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.148 -9.113 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.357 -9.049 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.266 -9.267 0.244 1.00 0.00 H new ATOM 581 N HIS A 35 2.942 -5.881 0.034 1.00 0.00 N ATOM 582 CA HIS A 35 4.031 -5.968 1.045 1.00 0.00 C ATOM 583 C HIS A 35 4.197 -4.635 1.772 1.00 0.00 C ATOM 584 O HIS A 35 4.328 -4.597 2.974 1.00 0.00 O ATOM 585 CB HIS A 35 5.289 -6.297 0.241 1.00 0.00 C ATOM 586 CG HIS A 35 5.124 -7.634 -0.431 1.00 0.00 C ATOM 587 ND1 HIS A 35 4.639 -7.755 -1.724 1.00 0.00 N ATOM 588 CD2 HIS A 35 5.375 -8.914 -0.002 1.00 0.00 C ATOM 589 CE1 HIS A 35 4.612 -9.067 -2.024 1.00 0.00 C ATOM 590 NE2 HIS A 35 5.051 -9.817 -1.010 1.00 0.00 N ATOM 0 H HIS A 35 3.197 -6.191 -0.904 1.00 0.00 H new ATOM 0 HA HIS A 35 3.822 -6.717 1.808 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.468 -5.523 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.159 -6.314 0.898 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.765 -9.179 0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.276 -9.465 -2.970 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.132 -10.833 -0.981 1.00 0.00 H new ATOM 598 N GLU A 36 4.164 -3.538 1.067 1.00 0.00 N ATOM 599 CA GLU A 36 4.294 -2.229 1.764 1.00 0.00 C ATOM 600 C GLU A 36 3.007 -1.939 2.541 1.00 0.00 C ATOM 601 O GLU A 36 3.028 -1.417 3.639 1.00 0.00 O ATOM 602 CB GLU A 36 4.577 -1.185 0.659 1.00 0.00 C ATOM 603 CG GLU A 36 3.277 -0.604 0.080 1.00 0.00 C ATOM 604 CD GLU A 36 3.594 0.263 -1.143 1.00 0.00 C ATOM 605 OE1 GLU A 36 4.765 0.487 -1.403 1.00 0.00 O ATOM 606 OE2 GLU A 36 2.657 0.688 -1.799 1.00 0.00 O ATOM 0 H GLU A 36 4.054 -3.491 0.054 1.00 0.00 H new ATOM 0 HA GLU A 36 5.101 -2.213 2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.186 -0.378 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.156 -1.648 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.601 -1.411 -0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.766 -0.009 0.836 1.00 0.00 H new ATOM 613 N LEU A 37 1.890 -2.266 1.958 1.00 0.00 N ATOM 614 CA LEU A 37 0.588 -2.003 2.626 1.00 0.00 C ATOM 615 C LEU A 37 0.359 -2.893 3.861 1.00 0.00 C ATOM 616 O LEU A 37 0.069 -2.398 4.924 1.00 0.00 O ATOM 617 CB LEU A 37 -0.456 -2.289 1.547 1.00 0.00 C ATOM 618 CG LEU A 37 -0.690 -1.023 0.723 1.00 0.00 C ATOM 619 CD1 LEU A 37 -1.353 -1.393 -0.604 1.00 0.00 C ATOM 620 CD2 LEU A 37 -1.604 -0.074 1.503 1.00 0.00 C ATOM 0 H LEU A 37 1.823 -2.707 1.041 1.00 0.00 H new ATOM 0 HA LEU A 37 0.541 -0.983 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.116 -3.099 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.389 -2.616 2.005 1.00 0.00 H new ATOM 0 HG LEU A 37 0.264 -0.533 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.520 -0.490 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.705 -2.072 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.308 -1.881 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.773 0.830 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.558 -0.565 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.132 0.189 2.450 1.00 0.00 H new ATOM 632 N VAL A 38 0.470 -4.190 3.750 1.00 0.00 N ATOM 633 CA VAL A 38 0.214 -5.043 4.958 1.00 0.00 C ATOM 634 C VAL A 38 1.324 -4.881 6.000 1.00 0.00 C ATOM 635 O VAL A 38 1.069 -4.823 7.184 1.00 0.00 O ATOM 636 CB VAL A 38 0.141 -6.485 4.447 1.00 0.00 C ATOM 637 CG1 VAL A 38 -0.937 -6.587 3.364 1.00 0.00 C ATOM 638 CG2 VAL A 38 1.494 -6.903 3.868 1.00 0.00 C ATOM 0 H VAL A 38 0.721 -4.691 2.898 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.710 -4.752 5.457 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.110 -7.148 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.990 -7.613 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.902 -6.300 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.687 -5.921 2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.434 -7.930 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.756 -6.242 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.258 -6.835 4.643 1.00 0.00 H new ATOM 648 N GLU A 39 2.549 -4.814 5.573 1.00 0.00 N ATOM 649 CA GLU A 39 3.678 -4.665 6.547 1.00 0.00 C ATOM 650 C GLU A 39 3.575 -3.361 7.356 1.00 0.00 C ATOM 651 O GLU A 39 3.990 -3.305 8.496 1.00 0.00 O ATOM 652 CB GLU A 39 4.947 -4.664 5.703 1.00 0.00 C ATOM 653 CG GLU A 39 5.141 -6.045 5.070 1.00 0.00 C ATOM 654 CD GLU A 39 6.476 -6.083 4.322 1.00 0.00 C ATOM 655 OE1 GLU A 39 6.541 -5.529 3.237 1.00 0.00 O ATOM 656 OE2 GLU A 39 7.410 -6.665 4.848 1.00 0.00 O ATOM 0 H GLU A 39 2.826 -4.855 4.592 1.00 0.00 H new ATOM 0 HA GLU A 39 3.665 -5.473 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.879 -3.902 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.808 -4.412 6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.122 -6.816 5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.322 -6.260 4.384 1.00 0.00 H new ATOM 663 N ALA A 40 3.034 -2.312 6.790 1.00 0.00 N ATOM 664 CA ALA A 40 2.928 -1.028 7.557 1.00 0.00 C ATOM 665 C ALA A 40 1.954 -1.178 8.733 1.00 0.00 C ATOM 666 O ALA A 40 2.240 -0.788 9.847 1.00 0.00 O ATOM 667 CB ALA A 40 2.393 -0.010 6.549 1.00 0.00 C ATOM 0 H ALA A 40 2.664 -2.286 5.840 1.00 0.00 H new ATOM 0 HA ALA A 40 3.886 -0.726 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.286 0.960 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.089 0.076 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.422 -0.340 6.179 1.00 0.00 H new ATOM 673 N SER A 41 0.808 -1.741 8.484 1.00 0.00 N ATOM 674 CA SER A 41 -0.197 -1.926 9.571 1.00 0.00 C ATOM 675 C SER A 41 0.388 -2.768 10.709 1.00 0.00 C ATOM 676 O SER A 41 0.079 -2.563 11.863 1.00 0.00 O ATOM 677 CB SER A 41 -1.364 -2.669 8.919 1.00 0.00 C ATOM 678 OG SER A 41 -0.931 -3.964 8.521 1.00 0.00 O ATOM 0 H SER A 41 0.519 -2.085 7.568 1.00 0.00 H new ATOM 0 HA SER A 41 -0.503 -0.973 10.002 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.196 -2.750 9.619 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.728 -2.113 8.055 1.00 0.00 H new ATOM 0 HG SER A 41 -0.312 -3.884 7.766 1.00 0.00 H new ATOM 684 N LYS A 42 1.227 -3.716 10.393 1.00 0.00 N ATOM 685 CA LYS A 42 1.826 -4.571 11.461 1.00 0.00 C ATOM 686 C LYS A 42 2.618 -3.714 12.443 1.00 0.00 C ATOM 687 O LYS A 42 2.667 -3.988 13.626 1.00 0.00 O ATOM 688 CB LYS A 42 2.747 -5.548 10.729 1.00 0.00 C ATOM 689 CG LYS A 42 1.921 -6.411 9.776 1.00 0.00 C ATOM 690 CD LYS A 42 0.934 -7.258 10.582 1.00 0.00 C ATOM 691 CE LYS A 42 0.226 -8.245 9.651 1.00 0.00 C ATOM 692 NZ LYS A 42 1.072 -9.470 9.673 1.00 0.00 N ATOM 0 H LYS A 42 1.525 -3.937 9.443 1.00 0.00 H new ATOM 0 HA LYS A 42 1.066 -5.094 12.041 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.508 -5.000 10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.270 -6.179 11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.382 -5.779 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.577 -7.056 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.461 -7.798 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.202 -6.615 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.786 -8.458 9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.140 -7.843 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.651 -10.194 9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.027 -9.239 9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.130 -9.834 10.645 1.00 0.00 H new ATOM 706 N GLU A 43 3.242 -2.678 11.962 1.00 0.00 N ATOM 707 CA GLU A 43 4.033 -1.802 12.866 1.00 0.00 C ATOM 708 C GLU A 43 3.133 -1.236 13.972 1.00 0.00 C ATOM 709 O GLU A 43 3.517 -1.171 15.124 1.00 0.00 O ATOM 710 CB GLU A 43 4.544 -0.687 11.954 1.00 0.00 C ATOM 711 CG GLU A 43 5.607 -1.244 11.001 1.00 0.00 C ATOM 712 CD GLU A 43 6.778 -1.807 11.810 1.00 0.00 C ATOM 713 OE1 GLU A 43 6.881 -1.475 12.980 1.00 0.00 O ATOM 714 OE2 GLU A 43 7.554 -2.561 11.245 1.00 0.00 O ATOM 0 H GLU A 43 3.238 -2.400 10.981 1.00 0.00 H new ATOM 0 HA GLU A 43 4.845 -2.329 13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.717 -0.263 11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.966 0.121 12.552 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.175 -2.025 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.958 -0.458 10.333 1.00 0.00 H new ATOM 721 N LEU A 44 1.935 -0.836 13.637 1.00 0.00 N ATOM 722 CA LEU A 44 1.012 -0.287 14.678 1.00 0.00 C ATOM 723 C LEU A 44 -0.064 -1.316 15.060 1.00 0.00 C ATOM 724 O LEU A 44 -0.811 -1.122 15.998 1.00 0.00 O ATOM 725 CB LEU A 44 0.381 0.950 14.036 1.00 0.00 C ATOM 726 CG LEU A 44 1.480 1.950 13.663 1.00 0.00 C ATOM 727 CD1 LEU A 44 0.842 3.217 13.089 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.287 2.314 14.913 1.00 0.00 C ATOM 0 H LEU A 44 1.555 -0.865 12.691 1.00 0.00 H new ATOM 0 HA LEU A 44 1.539 -0.044 15.601 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.182 0.664 13.147 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.325 1.411 14.727 1.00 0.00 H new ATOM 0 HG LEU A 44 2.140 1.502 12.920 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.623 3.929 12.823 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.265 2.963 12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.183 3.662 13.834 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.069 3.025 14.647 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.626 2.762 15.655 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.741 1.414 15.328 1.00 0.00 H new ATOM 740 N GLY A 45 -0.145 -2.410 14.350 1.00 0.00 N ATOM 741 CA GLY A 45 -1.166 -3.448 14.685 1.00 0.00 C ATOM 742 C GLY A 45 -2.575 -2.912 14.411 1.00 0.00 C ATOM 743 O GLY A 45 -3.537 -3.358 15.004 1.00 0.00 O ATOM 0 H GLY A 45 0.451 -2.631 13.552 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.989 -4.346 14.094 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.075 -3.733 15.733 1.00 0.00 H new ATOM 747 N LEU A 46 -2.712 -1.965 13.517 1.00 0.00 N ATOM 748 CA LEU A 46 -4.065 -1.402 13.205 1.00 0.00 C ATOM 749 C LEU A 46 -3.924 -0.308 12.133 1.00 0.00 C ATOM 750 O LEU A 46 -3.149 -0.451 11.208 1.00 0.00 O ATOM 751 CB LEU A 46 -4.577 -0.810 14.528 1.00 0.00 C ATOM 752 CG LEU A 46 -6.087 -1.027 14.625 1.00 0.00 C ATOM 753 CD1 LEU A 46 -6.378 -2.186 15.580 1.00 0.00 C ATOM 754 CD2 LEU A 46 -6.753 0.246 15.152 1.00 0.00 C ATOM 0 H LEU A 46 -1.943 -1.555 12.987 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.754 -2.152 12.818 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.075 -1.284 15.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.347 0.254 14.577 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.483 -1.263 13.637 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.455 -2.340 15.648 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.905 -3.094 15.205 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.982 -1.952 16.568 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.830 0.091 15.221 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.356 0.482 16.139 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.548 1.072 14.471 1.00 0.00 H new ATOM 766 N LYS A 47 -4.662 0.784 12.254 1.00 0.00 N ATOM 767 CA LYS A 47 -4.582 1.913 11.262 1.00 0.00 C ATOM 768 C LYS A 47 -5.357 1.580 9.986 1.00 0.00 C ATOM 769 O LYS A 47 -6.191 2.350 9.550 1.00 0.00 O ATOM 770 CB LYS A 47 -3.093 2.131 10.949 1.00 0.00 C ATOM 771 CG LYS A 47 -2.844 3.600 10.587 1.00 0.00 C ATOM 772 CD LYS A 47 -1.706 3.708 9.561 1.00 0.00 C ATOM 773 CE LYS A 47 -0.477 2.922 10.042 1.00 0.00 C ATOM 774 NZ LYS A 47 0.688 3.766 9.664 1.00 0.00 N ATOM 0 H LYS A 47 -5.326 0.939 13.013 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.029 2.817 11.676 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.487 1.852 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.788 1.488 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.754 4.041 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.590 4.165 11.484 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.038 3.322 8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.441 4.755 9.411 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.511 2.755 11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.425 1.941 9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.569 3.273 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.669 3.945 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.641 4.671 10.174 1.00 0.00 H new ATOM 788 N PHE A 48 -5.108 0.450 9.379 1.00 0.00 N ATOM 789 CA PHE A 48 -5.865 0.114 8.138 1.00 0.00 C ATOM 790 C PHE A 48 -6.025 -1.397 7.938 1.00 0.00 C ATOM 791 O PHE A 48 -5.529 -2.204 8.699 1.00 0.00 O ATOM 792 CB PHE A 48 -5.157 0.808 6.969 1.00 0.00 C ATOM 793 CG PHE A 48 -3.744 0.331 6.797 1.00 0.00 C ATOM 794 CD1 PHE A 48 -2.717 0.936 7.518 1.00 0.00 C ATOM 795 CD2 PHE A 48 -3.460 -0.681 5.882 1.00 0.00 C ATOM 796 CE1 PHE A 48 -1.395 0.527 7.330 1.00 0.00 C ATOM 797 CE2 PHE A 48 -2.142 -1.089 5.685 1.00 0.00 C ATOM 798 CZ PHE A 48 -1.104 -0.484 6.412 1.00 0.00 C ATOM 0 H PHE A 48 -4.425 -0.244 9.682 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.890 0.479 8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.714 0.627 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.157 1.885 7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.943 1.722 8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.260 -1.148 5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.599 0.992 7.893 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.919 -1.870 4.973 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.082 -0.800 6.261 1.00 0.00 H new ATOM 808 N ARG A 49 -6.725 -1.764 6.900 1.00 0.00 N ATOM 809 CA ARG A 49 -6.952 -3.199 6.594 1.00 0.00 C ATOM 810 C ARG A 49 -6.983 -3.384 5.083 1.00 0.00 C ATOM 811 O ARG A 49 -7.293 -2.466 4.349 1.00 0.00 O ATOM 812 CB ARG A 49 -8.313 -3.521 7.209 1.00 0.00 C ATOM 813 CG ARG A 49 -8.238 -3.331 8.724 1.00 0.00 C ATOM 814 CD ARG A 49 -9.556 -3.777 9.363 1.00 0.00 C ATOM 815 NE ARG A 49 -10.606 -2.964 8.689 1.00 0.00 N ATOM 816 CZ ARG A 49 -11.713 -3.528 8.288 1.00 0.00 C ATOM 817 NH1 ARG A 49 -12.268 -4.465 9.009 1.00 0.00 N ATOM 818 NH2 ARG A 49 -12.267 -3.155 7.168 1.00 0.00 N ATOM 0 H ARG A 49 -7.156 -1.116 6.241 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.173 -3.851 6.988 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.079 -2.871 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.599 -4.546 6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.410 -3.910 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.043 -2.285 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.726 -4.843 9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.552 -3.603 10.439 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.460 -1.965 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.837 -4.757 9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.133 -4.905 8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.835 -2.422 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.132 -3.596 6.855 1.00 0.00 H new ATOM 832 N ALA A 50 -6.665 -4.548 4.600 1.00 0.00 N ATOM 833 CA ALA A 50 -6.682 -4.748 3.129 1.00 0.00 C ATOM 834 C ALA A 50 -7.908 -5.566 2.715 1.00 0.00 C ATOM 835 O ALA A 50 -8.367 -6.430 3.437 1.00 0.00 O ATOM 836 CB ALA A 50 -5.391 -5.500 2.810 1.00 0.00 C ATOM 0 H ALA A 50 -6.397 -5.362 5.153 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.741 -3.804 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.333 -5.684 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.535 -4.902 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.383 -6.451 3.343 1.00 0.00 H new ATOM 842 N GLU A 51 -8.438 -5.298 1.555 1.00 0.00 N ATOM 843 CA GLU A 51 -9.632 -6.053 1.080 1.00 0.00 C ATOM 844 C GLU A 51 -9.379 -6.613 -0.322 1.00 0.00 C ATOM 845 O GLU A 51 -8.606 -6.071 -1.087 1.00 0.00 O ATOM 846 CB GLU A 51 -10.763 -5.025 1.051 1.00 0.00 C ATOM 847 CG GLU A 51 -10.983 -4.465 2.458 1.00 0.00 C ATOM 848 CD GLU A 51 -12.165 -3.490 2.450 1.00 0.00 C ATOM 849 OE1 GLU A 51 -12.628 -3.155 1.372 1.00 0.00 O ATOM 850 OE2 GLU A 51 -12.587 -3.093 3.524 1.00 0.00 O ATOM 0 H GLU A 51 -8.094 -4.585 0.912 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.868 -6.901 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.517 -4.217 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.680 -5.488 0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.176 -5.279 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.082 -3.956 2.802 1.00 0.00 H new ATOM 857 N GLU A 52 -10.031 -7.688 -0.668 1.00 0.00 N ATOM 858 CA GLU A 52 -9.839 -8.277 -2.023 1.00 0.00 C ATOM 859 C GLU A 52 -11.197 -8.357 -2.732 1.00 0.00 C ATOM 860 O GLU A 52 -12.208 -8.624 -2.112 1.00 0.00 O ATOM 861 CB GLU A 52 -9.265 -9.671 -1.764 1.00 0.00 C ATOM 862 CG GLU A 52 -8.775 -10.284 -3.078 1.00 0.00 C ATOM 863 CD GLU A 52 -8.236 -11.694 -2.817 1.00 0.00 C ATOM 864 OE1 GLU A 52 -8.484 -12.216 -1.741 1.00 0.00 O ATOM 865 OE2 GLU A 52 -7.585 -12.231 -3.698 1.00 0.00 O ATOM 0 H GLU A 52 -10.690 -8.185 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.178 -7.690 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.442 -9.609 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.026 -10.310 -1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.591 -10.323 -3.799 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.994 -9.660 -3.513 1.00 0.00 H new ATOM 1069 N GLY A 64 -6.223 -4.703 -5.662 1.00 0.00 N ATOM 1070 CA GLY A 64 -6.779 -4.937 -4.300 1.00 0.00 C ATOM 1071 C GLY A 64 -7.371 -3.639 -3.751 1.00 0.00 C ATOM 1072 O GLY A 64 -7.583 -2.685 -4.470 1.00 0.00 O ATOM 0 HA2 GLY A 64 -7.547 -5.710 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.995 -5.300 -3.635 1.00 0.00 H new ATOM 1076 N ARG A 65 -7.619 -3.593 -2.474 1.00 0.00 N ATOM 1077 CA ARG A 65 -8.165 -2.348 -1.857 1.00 0.00 C ATOM 1078 C ARG A 65 -7.722 -2.267 -0.396 1.00 0.00 C ATOM 1079 O ARG A 65 -7.680 -3.267 0.291 1.00 0.00 O ATOM 1080 CB ARG A 65 -9.685 -2.495 -1.947 1.00 0.00 C ATOM 1081 CG ARG A 65 -10.353 -1.247 -1.366 1.00 0.00 C ATOM 1082 CD ARG A 65 -11.873 -1.435 -1.364 1.00 0.00 C ATOM 1083 NE ARG A 65 -12.248 -1.581 -2.798 1.00 0.00 N ATOM 1084 CZ ARG A 65 -13.130 -2.474 -3.155 1.00 0.00 C ATOM 1085 NH1 ARG A 65 -12.902 -3.739 -2.934 1.00 0.00 N ATOM 1086 NH2 ARG A 65 -14.240 -2.099 -3.732 1.00 0.00 N ATOM 0 H ARG A 65 -7.467 -4.366 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.816 -1.444 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.987 -2.632 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -10.008 -3.381 -1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.997 -1.070 -0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.085 -0.370 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.160 -2.316 -0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.375 -0.581 -0.910 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.815 -0.983 -3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.035 -4.030 -2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.591 -4.438 -3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -14.417 -1.109 -3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.930 -2.796 -4.012 1.00 0.00 H new ATOM 1100 N VAL A 66 -7.410 -1.102 0.102 1.00 0.00 N ATOM 1101 CA VAL A 66 -6.999 -1.017 1.538 1.00 0.00 C ATOM 1102 C VAL A 66 -7.882 -0.004 2.268 1.00 0.00 C ATOM 1103 O VAL A 66 -8.302 0.989 1.709 1.00 0.00 O ATOM 1104 CB VAL A 66 -5.534 -0.580 1.522 1.00 0.00 C ATOM 1105 CG1 VAL A 66 -4.709 -1.604 0.743 1.00 0.00 C ATOM 1106 CG2 VAL A 66 -5.413 0.785 0.850 1.00 0.00 C ATOM 0 H VAL A 66 -7.420 -0.219 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.112 -1.966 2.063 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.165 -0.513 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.664 -1.295 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.793 -2.579 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.081 -1.669 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.368 1.094 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.782 0.721 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.002 1.516 1.403 1.00 0.00 H new ATOM 1116 N VAL A 67 -8.175 -0.256 3.514 1.00 0.00 N ATOM 1117 CA VAL A 67 -9.041 0.682 4.280 1.00 0.00 C ATOM 1118 C VAL A 67 -8.321 1.171 5.539 1.00 0.00 C ATOM 1119 O VAL A 67 -7.830 0.391 6.321 1.00 0.00 O ATOM 1120 CB VAL A 67 -10.273 -0.142 4.655 1.00 0.00 C ATOM 1121 CG1 VAL A 67 -11.281 0.742 5.389 1.00 0.00 C ATOM 1122 CG2 VAL A 67 -10.916 -0.703 3.384 1.00 0.00 C ATOM 0 H VAL A 67 -7.852 -1.071 4.034 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.298 1.570 3.702 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.974 -0.963 5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.158 0.151 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.824 1.140 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.581 1.566 4.742 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.795 -1.291 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.213 0.119 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.199 -1.337 2.863 1.00 0.00 H new ATOM 1132 N VAL A 68 -8.268 2.457 5.742 1.00 0.00 N ATOM 1133 CA VAL A 68 -7.584 3.005 6.954 1.00 0.00 C ATOM 1134 C VAL A 68 -8.621 3.629 7.880 1.00 0.00 C ATOM 1135 O VAL A 68 -9.546 4.266 7.425 1.00 0.00 O ATOM 1136 CB VAL A 68 -6.628 4.073 6.424 1.00 0.00 C ATOM 1137 CG1 VAL A 68 -5.806 4.640 7.583 1.00 0.00 C ATOM 1138 CG2 VAL A 68 -5.690 3.452 5.389 1.00 0.00 C ATOM 0 H VAL A 68 -8.670 3.158 5.120 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.055 2.239 7.521 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.201 4.874 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.124 5.402 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.475 5.084 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.233 3.838 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.009 4.215 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.116 2.650 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.276 3.048 4.563 1.00 0.00 H new ATOM 1148 N GLU A 69 -8.509 3.442 9.171 1.00 0.00 N ATOM 1149 CA GLU A 69 -9.550 4.033 10.057 1.00 0.00 C ATOM 1150 C GLU A 69 -9.287 5.518 10.325 1.00 0.00 C ATOM 1151 O GLU A 69 -8.375 5.893 11.033 1.00 0.00 O ATOM 1152 CB GLU A 69 -9.448 3.238 11.360 1.00 0.00 C ATOM 1153 CG GLU A 69 -9.767 1.766 11.092 1.00 0.00 C ATOM 1154 CD GLU A 69 -9.731 0.982 12.408 1.00 0.00 C ATOM 1155 OE1 GLU A 69 -9.292 1.542 13.400 1.00 0.00 O ATOM 1156 OE2 GLU A 69 -10.143 -0.166 12.401 1.00 0.00 O ATOM 0 H GLU A 69 -7.765 2.922 9.637 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.539 3.977 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.446 3.333 11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.140 3.642 12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.750 1.675 10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.045 1.350 10.389 1.00 0.00 H new ATOM 1163 N LYS A 70 -10.100 6.350 9.740 1.00 0.00 N ATOM 1164 CA LYS A 70 -9.952 7.827 9.904 1.00 0.00 C ATOM 1165 C LYS A 70 -11.282 8.493 9.558 1.00 0.00 C ATOM 1166 O LYS A 70 -11.767 9.353 10.265 1.00 0.00 O ATOM 1167 CB LYS A 70 -8.855 8.223 8.904 1.00 0.00 C ATOM 1168 CG LYS A 70 -7.527 8.444 9.642 1.00 0.00 C ATOM 1169 CD LYS A 70 -6.342 8.199 8.691 1.00 0.00 C ATOM 1170 CE LYS A 70 -5.051 8.109 9.507 1.00 0.00 C ATOM 1171 NZ LYS A 70 -3.956 8.295 8.517 1.00 0.00 N ATOM 0 H LYS A 70 -10.877 6.066 9.143 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.689 8.130 10.918 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.737 7.442 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.143 9.132 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.485 9.461 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.462 7.771 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.496 7.278 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.271 9.008 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.019 8.877 10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.969 7.146 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.037 8.212 8.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.028 7.566 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.036 9.237 8.083 1.00 0.00 H new ATOM 1185 N ARG A 71 -11.876 8.063 8.478 1.00 0.00 N ATOM 1186 CA ARG A 71 -13.194 8.602 8.035 1.00 0.00 C ATOM 1187 C ARG A 71 -13.277 10.121 8.226 1.00 0.00 C ATOM 1188 O ARG A 71 -13.584 10.612 9.294 1.00 0.00 O ATOM 1189 CB ARG A 71 -14.208 7.881 8.919 1.00 0.00 C ATOM 1190 CG ARG A 71 -15.479 7.629 8.115 1.00 0.00 C ATOM 1191 CD ARG A 71 -16.539 6.992 9.016 1.00 0.00 C ATOM 1192 NE ARG A 71 -17.667 6.657 8.103 1.00 0.00 N ATOM 1193 CZ ARG A 71 -18.825 6.310 8.597 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -18.881 5.563 9.666 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -19.926 6.710 8.022 1.00 0.00 N ATOM 0 H ARG A 71 -11.492 7.341 7.868 1.00 0.00 H new ATOM 0 HA ARG A 71 -13.370 8.435 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.794 6.937 9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.433 8.482 9.800 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.853 8.567 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.263 6.974 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.153 6.101 9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.856 7.680 9.800 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.535 6.699 7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -18.020 5.250 10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.785 5.292 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.882 7.294 7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.830 6.439 8.408 1.00 0.00 H new ATOM 1209 N GLY A 72 -13.011 10.862 7.188 1.00 0.00 N ATOM 1210 CA GLY A 72 -13.072 12.346 7.290 1.00 0.00 C ATOM 1211 C GLY A 72 -12.285 12.957 6.133 1.00 0.00 C ATOM 1212 O GLY A 72 -12.845 13.530 5.219 1.00 0.00 O ATOM 0 H GLY A 72 -12.753 10.502 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.108 12.683 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.657 12.675 8.243 1.00 0.00 H new ATOM 1216 N THR A 73 -10.987 12.831 6.160 1.00 0.00 N ATOM 1217 CA THR A 73 -10.161 13.396 5.059 1.00 0.00 C ATOM 1218 C THR A 73 -9.875 12.314 4.012 1.00 0.00 C ATOM 1219 O THR A 73 -9.861 11.137 4.313 1.00 0.00 O ATOM 1220 CB THR A 73 -8.871 13.867 5.733 1.00 0.00 C ATOM 1221 OG1 THR A 73 -8.111 14.620 4.801 1.00 0.00 O ATOM 1222 CG2 THR A 73 -8.056 12.660 6.217 1.00 0.00 C ATOM 0 H THR A 73 -10.463 12.361 6.898 1.00 0.00 H new ATOM 0 HA THR A 73 -10.659 14.213 4.537 1.00 0.00 H new ATOM 0 HB THR A 73 -9.117 14.488 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.561 15.473 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.140 13.007 6.695 1.00 0.00 H new ATOM 0 HG22 THR A 73 -8.645 12.087 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.804 12.027 5.366 1.00 0.00 H new ATOM 1230 N LYS A 74 -9.657 12.697 2.784 1.00 0.00 N ATOM 1231 CA LYS A 74 -9.385 11.677 1.731 1.00 0.00 C ATOM 1232 C LYS A 74 -7.878 11.517 1.484 1.00 0.00 C ATOM 1233 O LYS A 74 -7.266 10.562 1.923 1.00 0.00 O ATOM 1234 CB LYS A 74 -10.086 12.214 0.483 1.00 0.00 C ATOM 1235 CG LYS A 74 -11.597 12.250 0.727 1.00 0.00 C ATOM 1236 CD LYS A 74 -12.303 12.805 -0.510 1.00 0.00 C ATOM 1237 CE LYS A 74 -12.279 11.759 -1.627 1.00 0.00 C ATOM 1238 NZ LYS A 74 -13.622 11.849 -2.265 1.00 0.00 N ATOM 0 H LYS A 74 -9.655 13.666 2.465 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.746 10.690 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.720 13.214 0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.860 11.582 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.964 11.248 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.821 12.870 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.332 13.068 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.811 13.719 -0.843 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.486 11.966 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.096 10.761 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.684 11.161 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.356 11.641 -1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.765 12.809 -2.640 1.00 0.00 H new ATOM 1252 N THR A 75 -7.280 12.432 0.767 1.00 0.00 N ATOM 1253 CA THR A 75 -5.819 12.322 0.468 1.00 0.00 C ATOM 1254 C THR A 75 -4.975 12.387 1.738 1.00 0.00 C ATOM 1255 O THR A 75 -3.997 11.676 1.863 1.00 0.00 O ATOM 1256 CB THR A 75 -5.512 13.508 -0.449 1.00 0.00 C ATOM 1257 OG1 THR A 75 -6.431 13.514 -1.533 1.00 0.00 O ATOM 1258 CG2 THR A 75 -4.086 13.384 -0.990 1.00 0.00 C ATOM 0 H THR A 75 -7.740 13.253 0.374 1.00 0.00 H new ATOM 0 HA THR A 75 -5.579 11.366 0.003 1.00 0.00 H new ATOM 0 HB THR A 75 -5.604 14.436 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.238 14.274 -2.121 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.870 14.230 -1.643 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.381 13.377 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.990 12.456 -1.554 1.00 0.00 H new ATOM 1266 N LYS A 76 -5.305 13.238 2.674 1.00 0.00 N ATOM 1267 CA LYS A 76 -4.464 13.324 3.907 1.00 0.00 C ATOM 1268 C LYS A 76 -4.279 11.933 4.496 1.00 0.00 C ATOM 1269 O LYS A 76 -3.193 11.558 4.885 1.00 0.00 O ATOM 1270 CB LYS A 76 -5.225 14.220 4.878 1.00 0.00 C ATOM 1271 CG LYS A 76 -5.443 15.585 4.230 1.00 0.00 C ATOM 1272 CD LYS A 76 -5.995 16.571 5.264 1.00 0.00 C ATOM 1273 CE LYS A 76 -6.356 17.888 4.570 1.00 0.00 C ATOM 1274 NZ LYS A 76 -5.615 18.937 5.323 1.00 0.00 N ATOM 0 H LYS A 76 -6.106 13.868 2.642 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.474 13.728 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.183 13.768 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.665 14.329 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.503 15.959 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.137 15.494 3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.875 16.150 5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.255 16.749 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.062 17.874 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.431 18.067 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.812 19.869 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.920 18.931 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.594 18.745 5.273 1.00 0.00 H new ATOM 1288 N LEU A 77 -5.314 11.140 4.535 1.00 0.00 N ATOM 1289 CA LEU A 77 -5.148 9.764 5.061 1.00 0.00 C ATOM 1290 C LEU A 77 -4.167 9.031 4.160 1.00 0.00 C ATOM 1291 O LEU A 77 -3.283 8.330 4.612 1.00 0.00 O ATOM 1292 CB LEU A 77 -6.535 9.137 4.960 1.00 0.00 C ATOM 1293 CG LEU A 77 -6.497 7.719 5.518 1.00 0.00 C ATOM 1294 CD1 LEU A 77 -7.908 7.303 5.920 1.00 0.00 C ATOM 1295 CD2 LEU A 77 -5.972 6.761 4.447 1.00 0.00 C ATOM 0 H LEU A 77 -6.256 11.385 4.228 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.769 9.729 6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.258 9.737 5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.863 9.121 3.921 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.840 7.685 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.888 6.289 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.286 7.986 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.560 7.336 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.945 5.747 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.630 6.791 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.967 7.061 4.152 1.00 0.00 H new ATOM 1307 N MET A 78 -4.330 9.186 2.876 1.00 0.00 N ATOM 1308 CA MET A 78 -3.415 8.494 1.930 1.00 0.00 C ATOM 1309 C MET A 78 -1.996 8.960 2.195 1.00 0.00 C ATOM 1310 O MET A 78 -1.066 8.178 2.209 1.00 0.00 O ATOM 1311 CB MET A 78 -3.889 8.912 0.545 1.00 0.00 C ATOM 1312 CG MET A 78 -5.296 8.364 0.333 1.00 0.00 C ATOM 1313 SD MET A 78 -5.841 8.737 -1.349 1.00 0.00 S ATOM 1314 CE MET A 78 -7.538 8.134 -1.179 1.00 0.00 C ATOM 0 H MET A 78 -5.054 9.759 2.443 1.00 0.00 H new ATOM 0 HA MET A 78 -3.424 7.409 2.032 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.887 9.998 0.455 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.213 8.528 -0.219 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.307 7.287 0.500 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.982 8.806 1.055 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.702 7.309 -1.872 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.701 7.788 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.235 8.941 -1.404 1.00 0.00 H new ATOM 1324 N ILE A 79 -1.823 10.228 2.454 1.00 0.00 N ATOM 1325 CA ILE A 79 -0.450 10.710 2.772 1.00 0.00 C ATOM 1326 C ILE A 79 0.033 9.922 4.003 1.00 0.00 C ATOM 1327 O ILE A 79 1.135 9.413 4.036 1.00 0.00 O ATOM 1328 CB ILE A 79 -0.577 12.238 3.013 1.00 0.00 C ATOM 1329 CG1 ILE A 79 0.512 12.954 2.209 1.00 0.00 C ATOM 1330 CG2 ILE A 79 -0.412 12.611 4.497 1.00 0.00 C ATOM 1331 CD1 ILE A 79 0.247 12.788 0.712 1.00 0.00 C ATOM 0 H ILE A 79 -2.556 10.937 2.460 1.00 0.00 H new ATOM 0 HA ILE A 79 0.285 10.551 1.982 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.575 12.542 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.531 14.012 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.491 12.546 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.509 13.690 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.182 12.112 5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.572 12.295 4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.025 13.300 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.250 11.728 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.724 13.218 0.464 1.00 0.00 H new ATOM 1343 N GLU A 80 -0.805 9.800 5.005 1.00 0.00 N ATOM 1344 CA GLU A 80 -0.404 9.024 6.211 1.00 0.00 C ATOM 1345 C GLU A 80 -0.203 7.553 5.835 1.00 0.00 C ATOM 1346 O GLU A 80 0.801 6.961 6.169 1.00 0.00 O ATOM 1347 CB GLU A 80 -1.563 9.183 7.195 1.00 0.00 C ATOM 1348 CG GLU A 80 -1.681 10.652 7.609 1.00 0.00 C ATOM 1349 CD GLU A 80 -0.387 11.097 8.294 1.00 0.00 C ATOM 1350 OE1 GLU A 80 0.363 10.234 8.721 1.00 0.00 O ATOM 1351 OE2 GLU A 80 -0.169 12.294 8.382 1.00 0.00 O ATOM 0 H GLU A 80 -1.742 10.203 5.036 1.00 0.00 H new ATOM 0 HA GLU A 80 0.534 9.375 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.493 8.847 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.397 8.559 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.873 11.273 6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.526 10.783 8.285 1.00 0.00 H new ATOM 1358 N LEU A 81 -1.125 6.950 5.128 1.00 0.00 N ATOM 1359 CA LEU A 81 -0.908 5.522 4.741 1.00 0.00 C ATOM 1360 C LEU A 81 0.378 5.420 3.922 1.00 0.00 C ATOM 1361 O LEU A 81 1.182 4.532 4.119 1.00 0.00 O ATOM 1362 CB LEU A 81 -2.117 5.127 3.899 1.00 0.00 C ATOM 1363 CG LEU A 81 -2.007 3.646 3.540 1.00 0.00 C ATOM 1364 CD1 LEU A 81 -2.319 2.797 4.774 1.00 0.00 C ATOM 1365 CD2 LEU A 81 -3.002 3.316 2.426 1.00 0.00 C ATOM 0 H LEU A 81 -1.998 7.371 4.808 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.808 4.866 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.038 5.314 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.160 5.732 2.994 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.995 3.429 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.241 1.740 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.609 3.032 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.331 3.013 5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.924 2.259 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.014 3.533 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.778 3.920 1.547 1.00 0.00 H new ATOM 1377 N ALA A 82 0.598 6.352 3.038 1.00 0.00 N ATOM 1378 CA ALA A 82 1.854 6.346 2.236 1.00 0.00 C ATOM 1379 C ALA A 82 3.036 6.588 3.177 1.00 0.00 C ATOM 1380 O ALA A 82 4.130 6.108 2.968 1.00 0.00 O ATOM 1381 CB ALA A 82 1.705 7.500 1.242 1.00 0.00 C ATOM 0 H ALA A 82 -0.040 7.121 2.835 1.00 0.00 H new ATOM 0 HA ALA A 82 2.027 5.403 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.595 7.558 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.830 7.329 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.584 8.436 1.787 1.00 0.00 H new ATOM 1387 N ARG A 83 2.799 7.327 4.223 1.00 0.00 N ATOM 1388 CA ARG A 83 3.890 7.599 5.199 1.00 0.00 C ATOM 1389 C ARG A 83 4.439 6.262 5.715 1.00 0.00 C ATOM 1390 O ARG A 83 5.630 6.025 5.706 1.00 0.00 O ATOM 1391 CB ARG A 83 3.247 8.395 6.336 1.00 0.00 C ATOM 1392 CG ARG A 83 4.340 8.942 7.256 1.00 0.00 C ATOM 1393 CD ARG A 83 3.692 9.664 8.440 1.00 0.00 C ATOM 1394 NE ARG A 83 4.831 10.191 9.241 1.00 0.00 N ATOM 1395 CZ ARG A 83 4.825 10.067 10.540 1.00 0.00 C ATOM 1396 NH1 ARG A 83 3.715 10.237 11.206 1.00 0.00 N ATOM 1397 NH2 ARG A 83 5.927 9.771 11.174 1.00 0.00 N ATOM 0 H ARG A 83 1.899 7.754 4.445 1.00 0.00 H new ATOM 0 HA ARG A 83 4.718 8.154 4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.654 9.215 5.931 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.566 7.758 6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.971 8.128 7.613 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.985 9.628 6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.041 10.470 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.077 8.983 9.029 1.00 0.00 H new ATOM 0 HE ARG A 83 5.615 10.648 8.775 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.853 10.467 10.711 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.710 10.140 12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.794 9.636 10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.921 9.674 12.189 1.00 0.00 H new ATOM 1411 N LYS A 84 3.574 5.371 6.136 1.00 0.00 N ATOM 1412 CA LYS A 84 4.047 4.033 6.615 1.00 0.00 C ATOM 1413 C LYS A 84 4.442 3.148 5.425 1.00 0.00 C ATOM 1414 O LYS A 84 5.477 2.513 5.419 1.00 0.00 O ATOM 1415 CB LYS A 84 2.859 3.421 7.361 1.00 0.00 C ATOM 1416 CG LYS A 84 3.364 2.340 8.315 1.00 0.00 C ATOM 1417 CD LYS A 84 4.051 3.002 9.511 1.00 0.00 C ATOM 1418 CE LYS A 84 4.355 1.947 10.575 1.00 0.00 C ATOM 1419 NZ LYS A 84 5.243 2.634 11.554 1.00 0.00 N ATOM 0 H LYS A 84 2.564 5.511 6.169 1.00 0.00 H new ATOM 0 HA LYS A 84 4.925 4.121 7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.327 4.193 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.150 2.994 6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.533 1.722 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.062 1.681 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.973 3.487 9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.410 3.779 9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.441 1.592 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.846 1.077 10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.127 2.096 11.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.459 3.593 11.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.764 2.693 12.475 1.00 0.00 H new ATOM 1433 N ILE A 85 3.600 3.098 4.425 1.00 0.00 N ATOM 1434 CA ILE A 85 3.887 2.250 3.225 1.00 0.00 C ATOM 1435 C ILE A 85 5.172 2.715 2.519 1.00 0.00 C ATOM 1436 O ILE A 85 5.958 1.913 2.055 1.00 0.00 O ATOM 1437 CB ILE A 85 2.629 2.422 2.335 1.00 0.00 C ATOM 1438 CG1 ILE A 85 1.654 1.274 2.613 1.00 0.00 C ATOM 1439 CG2 ILE A 85 2.983 2.413 0.839 1.00 0.00 C ATOM 1440 CD1 ILE A 85 0.881 1.540 3.907 1.00 0.00 C ATOM 0 H ILE A 85 2.719 3.611 4.386 1.00 0.00 H new ATOM 0 HA ILE A 85 4.066 1.204 3.472 1.00 0.00 H new ATOM 0 HB ILE A 85 2.179 3.385 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.959 1.168 1.780 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.200 0.334 2.694 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.075 2.536 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.670 3.231 0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.456 1.465 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.191 0.717 4.094 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.581 1.623 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.320 2.469 3.811 1.00 0.00 H new ATOM 1452 N ALA A 86 5.377 3.994 2.416 1.00 0.00 N ATOM 1453 CA ALA A 86 6.595 4.496 1.718 1.00 0.00 C ATOM 1454 C ALA A 86 7.850 3.974 2.401 1.00 0.00 C ATOM 1455 O ALA A 86 8.849 3.727 1.755 1.00 0.00 O ATOM 1456 CB ALA A 86 6.522 6.019 1.804 1.00 0.00 C ATOM 0 H ALA A 86 4.757 4.716 2.783 1.00 0.00 H new ATOM 0 HA ALA A 86 6.637 4.158 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.390 6.453 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.613 6.368 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.511 6.324 2.850 1.00 0.00 H new ATOM 1462 N GLU A 87 7.805 3.762 3.687 1.00 0.00 N ATOM 1463 CA GLU A 87 9.019 3.209 4.337 1.00 0.00 C ATOM 1464 C GLU A 87 9.173 1.782 3.827 1.00 0.00 C ATOM 1465 O GLU A 87 10.226 1.375 3.391 1.00 0.00 O ATOM 1466 CB GLU A 87 8.728 3.230 5.841 1.00 0.00 C ATOM 1467 CG GLU A 87 8.542 4.677 6.302 1.00 0.00 C ATOM 1468 CD GLU A 87 8.325 4.714 7.818 1.00 0.00 C ATOM 1469 OE1 GLU A 87 8.146 3.655 8.400 1.00 0.00 O ATOM 1470 OE2 GLU A 87 8.343 5.800 8.372 1.00 0.00 O ATOM 0 H GLU A 87 7.007 3.941 4.297 1.00 0.00 H new ATOM 0 HA GLU A 87 9.933 3.764 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.831 2.650 6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.548 2.765 6.388 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.418 5.269 6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.689 5.124 5.792 1.00 0.00 H new ATOM 1477 N ILE A 88 8.140 0.998 3.972 1.00 0.00 N ATOM 1478 CA ILE A 88 8.286 -0.439 3.579 1.00 0.00 C ATOM 1479 C ILE A 88 8.840 -0.516 2.144 1.00 0.00 C ATOM 1480 O ILE A 88 9.858 -1.139 1.922 1.00 0.00 O ATOM 1481 CB ILE A 88 6.903 -1.081 3.668 1.00 0.00 C ATOM 1482 CG1 ILE A 88 6.198 -0.700 4.983 1.00 0.00 C ATOM 1483 CG2 ILE A 88 7.095 -2.600 3.632 1.00 0.00 C ATOM 1484 CD1 ILE A 88 7.148 -0.865 6.173 1.00 0.00 C ATOM 0 H ILE A 88 7.227 1.274 4.333 1.00 0.00 H new ATOM 0 HA ILE A 88 8.978 -0.966 4.236 1.00 0.00 H new ATOM 0 HB ILE A 88 6.287 -0.733 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.850 0.332 4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.317 -1.327 5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.124 -3.091 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.586 -2.883 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.712 -2.909 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.631 -0.591 7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.475 -1.903 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.016 -0.219 6.038 1.00 0.00 H new ATOM 1496 N ARG A 89 8.234 0.119 1.164 1.00 0.00 N ATOM 1497 CA ARG A 89 8.832 0.051 -0.213 1.00 0.00 C ATOM 1498 C ARG A 89 10.283 0.544 -0.114 1.00 0.00 C ATOM 1499 O ARG A 89 11.203 -0.024 -0.666 1.00 0.00 O ATOM 1500 CB ARG A 89 7.974 1.017 -1.039 1.00 0.00 C ATOM 1501 CG ARG A 89 8.603 1.251 -2.414 1.00 0.00 C ATOM 1502 CD ARG A 89 9.518 2.477 -2.350 1.00 0.00 C ATOM 1503 NE ARG A 89 9.806 2.816 -3.771 1.00 0.00 N ATOM 1504 CZ ARG A 89 10.876 3.497 -4.074 1.00 0.00 C ATOM 1505 NH1 ARG A 89 12.036 2.901 -4.126 1.00 0.00 N ATOM 1506 NH2 ARG A 89 10.787 4.775 -4.324 1.00 0.00 N ATOM 0 H ARG A 89 7.377 0.666 1.251 1.00 0.00 H new ATOM 0 HA ARG A 89 8.845 -0.945 -0.655 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.969 0.611 -1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.874 1.966 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.173 0.374 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.825 1.403 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.031 3.307 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.435 2.257 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 89 9.167 2.516 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.106 1.903 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.873 3.434 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.881 5.241 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 89 11.624 5.308 -4.561 1.00 0.00 H new ATOM 1520 N GLU A 90 10.455 1.601 0.618 1.00 0.00 N ATOM 1521 CA GLU A 90 11.816 2.178 0.820 1.00 0.00 C ATOM 1522 C GLU A 90 12.724 1.131 1.476 1.00 0.00 C ATOM 1523 O GLU A 90 13.916 1.099 1.239 1.00 0.00 O ATOM 1524 CB GLU A 90 11.638 3.401 1.724 1.00 0.00 C ATOM 1525 CG GLU A 90 12.984 4.111 1.885 1.00 0.00 C ATOM 1526 CD GLU A 90 12.844 5.273 2.874 1.00 0.00 C ATOM 1527 OE1 GLU A 90 11.758 5.457 3.399 1.00 0.00 O ATOM 1528 OE2 GLU A 90 13.830 5.959 3.092 1.00 0.00 O ATOM 0 H GLU A 90 9.704 2.100 1.094 1.00 0.00 H new ATOM 0 HA GLU A 90 12.282 2.467 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.904 4.082 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.256 3.095 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.736 3.407 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.327 4.483 0.919 1.00 0.00 H new ATOM 1535 N GLN A 91 12.173 0.258 2.282 1.00 0.00 N ATOM 1536 CA GLN A 91 13.027 -0.794 2.918 1.00 0.00 C ATOM 1537 C GLN A 91 13.531 -1.761 1.848 1.00 0.00 C ATOM 1538 O GLN A 91 14.604 -2.321 1.954 1.00 0.00 O ATOM 1539 CB GLN A 91 12.139 -1.524 3.930 1.00 0.00 C ATOM 1540 CG GLN A 91 11.870 -0.621 5.135 1.00 0.00 C ATOM 1541 CD GLN A 91 10.899 -1.321 6.087 1.00 0.00 C ATOM 1542 OE1 GLN A 91 10.224 -2.256 5.704 1.00 0.00 O ATOM 1543 NE2 GLN A 91 10.799 -0.908 7.322 1.00 0.00 N ATOM 0 H GLN A 91 11.183 0.227 2.525 1.00 0.00 H new ATOM 0 HA GLN A 91 13.898 -0.362 3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.197 -1.809 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.624 -2.444 4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 91 12.804 -0.396 5.651 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.451 0.330 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.365 -0.123 7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.155 -1.370 7.964 1.00 0.00 H new ATOM 1552 N LYS A 92 12.758 -1.959 0.818 1.00 0.00 N ATOM 1553 CA LYS A 92 13.178 -2.888 -0.266 1.00 0.00 C ATOM 1554 C LYS A 92 14.520 -2.442 -0.854 1.00 0.00 C ATOM 1555 O LYS A 92 15.346 -3.253 -1.222 1.00 0.00 O ATOM 1556 CB LYS A 92 12.074 -2.790 -1.319 1.00 0.00 C ATOM 1557 CG LYS A 92 12.331 -3.814 -2.426 1.00 0.00 C ATOM 1558 CD LYS A 92 11.970 -5.212 -1.920 1.00 0.00 C ATOM 1559 CE LYS A 92 12.128 -6.223 -3.058 1.00 0.00 C ATOM 1560 NZ LYS A 92 10.748 -6.721 -3.323 1.00 0.00 N ATOM 0 H LYS A 92 11.850 -1.516 0.680 1.00 0.00 H new ATOM 0 HA LYS A 92 13.311 -3.909 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.102 -2.971 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.046 -1.784 -1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 92 11.738 -3.570 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.378 -3.784 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.614 -5.485 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.945 -5.223 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.557 -5.756 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.794 -7.037 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.773 -7.420 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.369 -7.166 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.138 -5.925 -3.598 1.00 0.00 H new ATOM 1574 N ARG A 93 14.741 -1.159 -0.954 1.00 0.00 N ATOM 1575 CA ARG A 93 16.030 -0.680 -1.533 1.00 0.00 C ATOM 1576 C ARG A 93 17.213 -1.267 -0.757 1.00 0.00 C ATOM 1577 O ARG A 93 18.185 -1.713 -1.335 1.00 0.00 O ATOM 1578 CB ARG A 93 15.991 0.841 -1.376 1.00 0.00 C ATOM 1579 CG ARG A 93 17.217 1.459 -2.051 1.00 0.00 C ATOM 1580 CD ARG A 93 17.197 2.978 -1.856 1.00 0.00 C ATOM 1581 NE ARG A 93 18.337 3.487 -2.669 1.00 0.00 N ATOM 1582 CZ ARG A 93 18.199 4.575 -3.377 1.00 0.00 C ATOM 1583 NH1 ARG A 93 17.773 5.672 -2.813 1.00 0.00 N ATOM 1584 NH2 ARG A 93 18.488 4.568 -4.650 1.00 0.00 N ATOM 0 H ARG A 93 14.092 -0.428 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 93 16.152 -0.983 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 93 15.079 1.239 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 93 15.973 1.107 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 93 18.129 1.039 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 93 17.220 1.218 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 93 16.252 3.406 -2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 93 17.313 3.242 -0.805 1.00 0.00 H new ATOM 0 HE ARG A 93 19.225 2.985 -2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 93 17.548 5.680 -1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.665 6.522 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 93 18.822 3.712 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 93 18.380 5.419 -5.202 1.00 0.00 H new ATOM 1598 N GLU A 94 17.138 -1.274 0.544 1.00 0.00 N ATOM 1599 CA GLU A 94 18.260 -1.838 1.352 1.00 0.00 C ATOM 1600 C GLU A 94 18.244 -3.371 1.306 1.00 0.00 C ATOM 1601 O GLU A 94 19.277 -4.012 1.294 1.00 0.00 O ATOM 1602 CB GLU A 94 18.019 -1.335 2.775 1.00 0.00 C ATOM 1603 CG GLU A 94 18.172 0.189 2.806 1.00 0.00 C ATOM 1604 CD GLU A 94 18.014 0.697 4.242 1.00 0.00 C ATOM 1605 OE1 GLU A 94 17.627 -0.088 5.092 1.00 0.00 O ATOM 1606 OE2 GLU A 94 18.284 1.867 4.466 1.00 0.00 O ATOM 0 H GLU A 94 16.351 -0.915 1.084 1.00 0.00 H new ATOM 0 HA GLU A 94 19.233 -1.528 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.021 -1.619 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.728 -1.797 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.149 0.474 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.424 0.652 2.162 1.00 0.00 H new