USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -1.72 K(o=-9.8,f=-18!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -8.1! C(o=-9.8!,f=-16!) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -1.35 K(o=-0.53,f=0.34) USER MOD Set 2.2: A 18 SER OG : rot -70:sc= 0.823 USER MOD Set 3.1: A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -125:sc= -0.0231 (180deg=-0.409) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 110:sc= 0.0437 USER MOD Single : A 8 THR OG1 : rot 180:sc= -2.67 USER MOD Single : A 13 GLN : amide:sc= -1.35 K(o=-1.4,f=-2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 139:sc= -0.288 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -2.69 X(o=-2.7,f=-2.6!) USER MOD Single : A 27 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-4.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc=-0.00863 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.232) USER MOD Single : A 49 GLN : amide:sc= -3.22 K(o=-3.2,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.148 K(o=-0.15,f=-2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 66:sc= -0.581 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0254) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0798 USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.0885 K(o=-0.088,f=-2.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -157:sc= -0.0684 (180deg=-0.843) USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 1.16 (180deg=0.753) USER MOD Single : A 91 SER OG : rot 140:sc=-0.00865 USER MOD Single : A 93 THR OG1 : rot 54:sc= 0.0645 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.115 6.567 16.700 1.00 0.00 N ATOM 2 CA ASP A 1 -6.885 5.832 17.116 1.00 0.00 C ATOM 3 C ASP A 1 -7.234 4.389 17.493 1.00 0.00 C ATOM 4 O ASP A 1 -7.405 4.067 18.653 1.00 0.00 O ATOM 5 CB ASP A 1 -6.363 6.593 18.335 1.00 0.00 C ATOM 6 CG ASP A 1 -4.987 6.049 18.724 1.00 0.00 C ATOM 7 OD1 ASP A 1 -4.072 6.185 17.931 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.873 5.508 19.812 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.866 7.545 16.447 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.541 6.094 15.878 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.797 6.576 17.486 1.00 0.00 H new ATOM 0 HA ASP A 1 -6.144 5.782 16.319 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.295 7.658 18.111 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.057 6.486 19.169 1.00 0.00 H new ATOM 13 N LYS A 2 -7.302 3.514 16.522 1.00 0.00 N ATOM 14 CA LYS A 2 -7.594 2.080 16.816 1.00 0.00 C ATOM 15 C LYS A 2 -7.323 1.219 15.580 1.00 0.00 C ATOM 16 O LYS A 2 -8.076 1.235 14.625 1.00 0.00 O ATOM 17 CB LYS A 2 -9.079 2.045 17.179 1.00 0.00 C ATOM 18 CG LYS A 2 -9.468 0.627 17.602 1.00 0.00 C ATOM 19 CD LYS A 2 -9.331 0.489 19.119 1.00 0.00 C ATOM 20 CE LYS A 2 -9.675 -0.942 19.537 1.00 0.00 C ATOM 21 NZ LYS A 2 -11.157 -1.029 19.421 1.00 0.00 N ATOM 0 H LYS A 2 -7.167 3.733 15.535 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.968 1.688 17.618 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.283 2.746 17.988 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.680 2.359 16.326 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.493 0.414 17.298 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.830 -0.101 17.101 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.314 0.734 19.426 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.994 1.194 19.620 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.185 -1.671 18.892 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.346 -1.146 20.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.558 -1.344 20.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.542 -0.094 19.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.408 -1.710 18.676 1.00 0.00 H new ATOM 35 N ASP A 3 -6.285 0.416 15.619 1.00 0.00 N ATOM 36 CA ASP A 3 -5.985 -0.514 14.487 1.00 0.00 C ATOM 37 C ASP A 3 -6.006 0.225 13.140 1.00 0.00 C ATOM 38 O ASP A 3 -6.010 1.441 13.091 1.00 0.00 O ATOM 39 CB ASP A 3 -7.087 -1.569 14.542 1.00 0.00 C ATOM 40 CG ASP A 3 -7.039 -2.298 15.888 1.00 0.00 C ATOM 41 OD1 ASP A 3 -7.212 -1.640 16.901 1.00 0.00 O ATOM 42 OD2 ASP A 3 -6.832 -3.500 15.881 1.00 0.00 O ATOM 0 H ASP A 3 -5.627 0.366 16.397 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.991 -0.951 14.576 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.061 -1.098 14.407 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.962 -2.282 13.727 1.00 0.00 H new ATOM 47 N VAL A 4 -6.059 -0.506 12.054 1.00 0.00 N ATOM 48 CA VAL A 4 -6.127 0.146 10.710 1.00 0.00 C ATOM 49 C VAL A 4 -7.428 0.948 10.578 1.00 0.00 C ATOM 50 O VAL A 4 -8.457 0.572 11.108 1.00 0.00 O ATOM 51 CB VAL A 4 -6.091 -1.010 9.698 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.295 -0.477 8.271 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.735 -1.715 9.785 1.00 0.00 C ATOM 0 H VAL A 4 -6.058 -1.526 12.040 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.307 0.846 10.548 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.892 -1.711 9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.267 -1.307 7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.261 0.024 8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.502 0.231 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.705 -2.536 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.940 -1.005 9.556 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.593 -2.107 10.792 1.00 0.00 H new ATOM 63 N LYS A 5 -7.401 1.994 9.794 1.00 0.00 N ATOM 64 CA LYS A 5 -8.648 2.767 9.520 1.00 0.00 C ATOM 65 C LYS A 5 -9.119 2.490 8.091 1.00 0.00 C ATOM 66 O LYS A 5 -8.609 1.608 7.424 1.00 0.00 O ATOM 67 CB LYS A 5 -8.248 4.234 9.684 1.00 0.00 C ATOM 68 CG LYS A 5 -8.328 4.624 11.160 1.00 0.00 C ATOM 69 CD LYS A 5 -7.767 6.035 11.348 1.00 0.00 C ATOM 70 CE LYS A 5 -7.075 6.133 12.709 1.00 0.00 C ATOM 71 NZ LYS A 5 -7.412 7.495 13.214 1.00 0.00 N ATOM 0 H LYS A 5 -6.564 2.347 9.330 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.467 2.497 10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.236 4.390 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.907 4.870 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.362 4.584 11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.765 3.914 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.060 6.266 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.570 6.769 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.431 5.360 13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.997 6.002 12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.973 7.638 14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.055 8.210 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.444 7.588 13.300 1.00 0.00 H new ATOM 85 N TYR A 6 -10.053 3.262 7.599 1.00 0.00 N ATOM 86 CA TYR A 6 -10.518 3.075 6.192 1.00 0.00 C ATOM 87 C TYR A 6 -10.367 4.378 5.406 1.00 0.00 C ATOM 88 O TYR A 6 -11.295 5.157 5.292 1.00 0.00 O ATOM 89 CB TYR A 6 -11.990 2.678 6.309 1.00 0.00 C ATOM 90 CG TYR A 6 -12.081 1.206 6.632 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.563 0.260 5.739 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.678 0.787 7.827 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.643 -1.105 6.041 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.759 -0.578 8.128 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.241 -1.524 7.235 1.00 0.00 C ATOM 96 OH TYR A 6 -12.319 -2.869 7.532 1.00 0.00 O ATOM 0 H TYR A 6 -10.514 4.014 8.111 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.937 2.321 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.477 3.265 7.088 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.512 2.891 5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.102 0.583 4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.076 1.517 8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.243 -1.835 5.352 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.221 -0.901 9.049 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.762 -2.988 8.398 1.00 0.00 H new ATOM 106 N TYR A 7 -9.213 4.595 4.826 1.00 0.00 N ATOM 107 CA TYR A 7 -9.004 5.823 3.998 1.00 0.00 C ATOM 108 C TYR A 7 -9.974 5.830 2.814 1.00 0.00 C ATOM 109 O TYR A 7 -10.926 5.072 2.779 1.00 0.00 O ATOM 110 CB TYR A 7 -7.555 5.736 3.503 1.00 0.00 C ATOM 111 CG TYR A 7 -6.608 5.723 4.684 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.697 6.716 5.669 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.636 4.720 4.790 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.817 6.705 6.757 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.757 4.709 5.879 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.847 5.702 6.862 1.00 0.00 C ATOM 117 OH TYR A 7 -3.978 5.690 7.935 1.00 0.00 O ATOM 0 H TYR A 7 -8.406 3.975 4.890 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.183 6.736 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.419 4.834 2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.331 6.584 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.445 7.490 5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.565 3.955 4.031 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.887 7.471 7.516 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.009 3.934 5.961 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.193 4.935 8.521 1.00 0.00 H new ATOM 127 N THR A 8 -9.720 6.654 1.829 1.00 0.00 N ATOM 128 CA THR A 8 -10.602 6.683 0.624 1.00 0.00 C ATOM 129 C THR A 8 -9.789 6.391 -0.639 1.00 0.00 C ATOM 130 O THR A 8 -8.603 6.655 -0.699 1.00 0.00 O ATOM 131 CB THR A 8 -11.167 8.105 0.581 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.096 9.036 0.517 1.00 0.00 O ATOM 133 CG2 THR A 8 -11.997 8.364 1.839 1.00 0.00 C ATOM 0 H THR A 8 -8.938 7.309 1.808 1.00 0.00 H new ATOM 0 HA THR A 8 -11.390 5.931 0.673 1.00 0.00 H new ATOM 0 HB THR A 8 -11.801 8.219 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.456 9.947 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.399 9.377 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.818 7.649 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.366 8.251 2.721 1.00 0.00 H new ATOM 141 N LEU A 9 -10.431 5.881 -1.659 1.00 0.00 N ATOM 142 CA LEU A 9 -9.714 5.609 -2.944 1.00 0.00 C ATOM 143 C LEU A 9 -9.211 6.919 -3.558 1.00 0.00 C ATOM 144 O LEU A 9 -8.201 6.947 -4.235 1.00 0.00 O ATOM 145 CB LEU A 9 -10.757 4.957 -3.856 1.00 0.00 C ATOM 146 CG LEU A 9 -10.053 4.177 -4.967 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.279 3.004 -4.361 1.00 0.00 C ATOM 148 CD2 LEU A 9 -11.096 3.642 -5.950 1.00 0.00 C ATOM 0 H LEU A 9 -11.422 5.640 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.843 4.969 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.394 4.289 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.405 5.720 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.360 4.837 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.778 2.450 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.536 3.382 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.970 2.343 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.597 3.085 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.787 2.983 -5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.648 4.476 -6.384 1.00 0.00 H new ATOM 160 N GLU A 10 -9.888 8.008 -3.292 1.00 0.00 N ATOM 161 CA GLU A 10 -9.432 9.328 -3.823 1.00 0.00 C ATOM 162 C GLU A 10 -8.213 9.823 -3.039 1.00 0.00 C ATOM 163 O GLU A 10 -7.372 10.527 -3.566 1.00 0.00 O ATOM 164 CB GLU A 10 -10.618 10.273 -3.620 1.00 0.00 C ATOM 165 CG GLU A 10 -11.710 9.948 -4.642 1.00 0.00 C ATOM 166 CD GLU A 10 -12.655 11.143 -4.778 1.00 0.00 C ATOM 167 OE1 GLU A 10 -12.168 12.262 -4.781 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.851 10.920 -4.874 1.00 0.00 O ATOM 0 H GLU A 10 -10.738 8.039 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.134 9.268 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.010 10.170 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.296 11.308 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.261 9.714 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.266 9.065 -4.327 1.00 0.00 H new ATOM 175 N GLU A 11 -8.094 9.430 -1.795 1.00 0.00 N ATOM 176 CA GLU A 11 -6.908 9.842 -0.984 1.00 0.00 C ATOM 177 C GLU A 11 -5.655 9.107 -1.468 1.00 0.00 C ATOM 178 O GLU A 11 -4.555 9.620 -1.383 1.00 0.00 O ATOM 179 CB GLU A 11 -7.244 9.438 0.453 1.00 0.00 C ATOM 180 CG GLU A 11 -7.937 10.604 1.162 1.00 0.00 C ATOM 181 CD GLU A 11 -6.894 11.448 1.898 1.00 0.00 C ATOM 182 OE1 GLU A 11 -6.299 12.304 1.264 1.00 0.00 O ATOM 183 OE2 GLU A 11 -6.709 11.223 3.083 1.00 0.00 O ATOM 0 H GLU A 11 -8.768 8.841 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.704 10.909 -1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.892 8.561 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.334 9.163 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.471 11.218 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.678 10.226 1.867 1.00 0.00 H new ATOM 190 N ILE A 12 -5.820 7.925 -2.005 1.00 0.00 N ATOM 191 CA ILE A 12 -4.647 7.167 -2.536 1.00 0.00 C ATOM 192 C ILE A 12 -4.494 7.424 -4.040 1.00 0.00 C ATOM 193 O ILE A 12 -3.399 7.415 -4.570 1.00 0.00 O ATOM 194 CB ILE A 12 -4.968 5.692 -2.267 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.134 5.468 -0.760 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.824 4.812 -2.780 1.00 0.00 C ATOM 197 CD1 ILE A 12 -5.970 4.210 -0.521 1.00 0.00 C ATOM 0 H ILE A 12 -6.718 7.451 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.711 7.467 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.892 5.429 -2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.157 5.364 -0.287 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.618 6.332 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.056 3.765 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.700 4.965 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.901 5.080 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.088 4.050 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.951 4.332 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.467 3.350 -0.963 1.00 0.00 H new ATOM 209 N GLN A 13 -5.582 7.689 -4.719 1.00 0.00 N ATOM 210 CA GLN A 13 -5.505 7.993 -6.182 1.00 0.00 C ATOM 211 C GLN A 13 -5.343 9.500 -6.425 1.00 0.00 C ATOM 212 O GLN A 13 -5.589 9.983 -7.514 1.00 0.00 O ATOM 213 CB GLN A 13 -6.834 7.499 -6.755 1.00 0.00 C ATOM 214 CG GLN A 13 -6.888 5.973 -6.681 1.00 0.00 C ATOM 215 CD GLN A 13 -8.059 5.461 -7.522 1.00 0.00 C ATOM 216 OE1 GLN A 13 -9.096 6.091 -7.586 1.00 0.00 O ATOM 217 NE2 GLN A 13 -7.937 4.337 -8.173 1.00 0.00 N ATOM 0 H GLN A 13 -6.522 7.708 -4.323 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.646 7.513 -6.651 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.665 7.930 -6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.940 7.827 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.952 5.548 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.003 5.653 -5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.066 3.808 -8.119 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.712 3.987 -8.736 1.00 0.00 H new ATOM 226 N LYS A 14 -4.899 10.240 -5.437 1.00 0.00 N ATOM 227 CA LYS A 14 -4.681 11.704 -5.632 1.00 0.00 C ATOM 228 C LYS A 14 -3.317 12.117 -5.071 1.00 0.00 C ATOM 229 O LYS A 14 -3.128 13.238 -4.639 1.00 0.00 O ATOM 230 CB LYS A 14 -5.808 12.381 -4.852 1.00 0.00 C ATOM 231 CG LYS A 14 -5.758 13.892 -5.087 1.00 0.00 C ATOM 232 CD LYS A 14 -7.174 14.467 -5.012 1.00 0.00 C ATOM 233 CE LYS A 14 -7.795 14.482 -6.412 1.00 0.00 C ATOM 234 NZ LYS A 14 -8.608 15.728 -6.458 1.00 0.00 N ATOM 0 H LYS A 14 -4.679 9.891 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.689 11.984 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.773 11.985 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.709 12.165 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.121 14.366 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.319 14.105 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.786 13.868 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.146 15.477 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.026 14.483 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.414 13.600 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.066 15.809 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.335 15.695 -5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.991 16.551 -6.303 1.00 0.00 H new ATOM 248 N HIS A 15 -2.358 11.228 -5.111 1.00 0.00 N ATOM 249 CA HIS A 15 -0.989 11.571 -4.622 1.00 0.00 C ATOM 250 C HIS A 15 0.019 11.492 -5.772 1.00 0.00 C ATOM 251 O HIS A 15 0.745 10.525 -5.906 1.00 0.00 O ATOM 252 CB HIS A 15 -0.674 10.519 -3.558 1.00 0.00 C ATOM 253 CG HIS A 15 -1.204 10.977 -2.227 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.392 11.100 -1.110 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.462 11.344 -1.818 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.164 11.524 -0.093 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.434 11.689 -0.470 1.00 0.00 N ATOM 0 H HIS A 15 -2.465 10.276 -5.462 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.934 12.584 -4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.123 9.564 -3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.402 10.359 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.340 11.362 -2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.800 11.709 0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.216 12.001 0.106 1.00 0.00 H new ATOM 266 N LYS A 16 0.094 12.521 -6.578 1.00 0.00 N ATOM 267 CA LYS A 16 1.087 12.532 -7.697 1.00 0.00 C ATOM 268 C LYS A 16 2.513 12.430 -7.143 1.00 0.00 C ATOM 269 O LYS A 16 3.395 11.881 -7.777 1.00 0.00 O ATOM 270 CB LYS A 16 0.879 13.871 -8.419 1.00 0.00 C ATOM 271 CG LYS A 16 1.101 15.035 -7.445 1.00 0.00 C ATOM 272 CD LYS A 16 2.536 15.551 -7.584 1.00 0.00 C ATOM 273 CE LYS A 16 2.592 16.614 -8.682 1.00 0.00 C ATOM 274 NZ LYS A 16 3.886 16.377 -9.381 1.00 0.00 N ATOM 0 H LYS A 16 -0.490 13.355 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 16 0.949 11.688 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.570 13.952 -9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.129 13.918 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.393 15.837 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.919 14.707 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.875 15.972 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.208 14.728 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.750 16.519 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.549 17.619 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.997 17.069 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.670 16.481 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.896 15.415 -9.777 1.00 0.00 H new ATOM 288 N ASP A 17 2.729 12.912 -5.946 1.00 0.00 N ATOM 289 CA ASP A 17 4.079 12.802 -5.318 1.00 0.00 C ATOM 290 C ASP A 17 4.001 13.166 -3.832 1.00 0.00 C ATOM 291 O ASP A 17 4.170 12.324 -2.972 1.00 0.00 O ATOM 292 CB ASP A 17 4.954 13.803 -6.076 1.00 0.00 C ATOM 293 CG ASP A 17 6.390 13.730 -5.553 1.00 0.00 C ATOM 294 OD1 ASP A 17 6.862 12.626 -5.334 1.00 0.00 O ATOM 295 OD2 ASP A 17 6.991 14.776 -5.380 1.00 0.00 O ATOM 0 H ASP A 17 2.025 13.379 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 17 4.481 11.790 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.934 13.584 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.562 14.812 -5.951 1.00 0.00 H new ATOM 300 N SER A 18 3.705 14.407 -3.528 1.00 0.00 N ATOM 301 CA SER A 18 3.557 14.840 -2.099 1.00 0.00 C ATOM 302 C SER A 18 4.755 14.379 -1.254 1.00 0.00 C ATOM 303 O SER A 18 4.631 14.131 -0.073 1.00 0.00 O ATOM 304 CB SER A 18 2.259 14.183 -1.615 1.00 0.00 C ATOM 305 OG SER A 18 2.516 12.844 -1.209 1.00 0.00 O ATOM 0 H SER A 18 3.558 15.147 -4.215 1.00 0.00 H new ATOM 0 HA SER A 18 3.523 15.926 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.842 14.751 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.516 14.194 -2.413 1.00 0.00 H new ATOM 0 HG SER A 18 2.725 12.298 -1.996 1.00 0.00 H new ATOM 311 N LYS A 19 5.923 14.301 -1.854 1.00 0.00 N ATOM 312 CA LYS A 19 7.166 13.890 -1.107 1.00 0.00 C ATOM 313 C LYS A 19 7.070 12.427 -0.658 1.00 0.00 C ATOM 314 O LYS A 19 7.779 11.574 -1.159 1.00 0.00 O ATOM 315 CB LYS A 19 7.281 14.828 0.106 1.00 0.00 C ATOM 316 CG LYS A 19 8.724 14.833 0.613 1.00 0.00 C ATOM 317 CD LYS A 19 8.819 15.687 1.878 1.00 0.00 C ATOM 318 CE LYS A 19 8.534 14.818 3.104 1.00 0.00 C ATOM 319 NZ LYS A 19 8.535 15.764 4.254 1.00 0.00 N ATOM 0 H LYS A 19 6.072 14.507 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 19 8.048 13.968 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.979 15.838 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.607 14.500 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.050 13.814 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.389 15.227 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.812 16.130 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.106 16.510 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.575 14.309 3.013 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.294 14.047 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.346 15.242 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.463 16.229 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.797 16.483 4.113 1.00 0.00 H new ATOM 333 N SER A 20 6.172 12.121 0.244 1.00 0.00 N ATOM 334 CA SER A 20 5.996 10.702 0.685 1.00 0.00 C ATOM 335 C SER A 20 5.437 9.859 -0.464 1.00 0.00 C ATOM 336 O SER A 20 5.198 10.356 -1.548 1.00 0.00 O ATOM 337 CB SER A 20 4.999 10.760 1.842 1.00 0.00 C ATOM 338 OG SER A 20 4.562 9.443 2.153 1.00 0.00 O ATOM 0 H SER A 20 5.552 12.793 0.695 1.00 0.00 H new ATOM 0 HA SER A 20 6.939 10.246 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.464 11.217 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.147 11.384 1.572 1.00 0.00 H new ATOM 0 HG SER A 20 4.510 9.337 3.126 1.00 0.00 H new ATOM 344 N THR A 21 5.189 8.597 -0.219 1.00 0.00 N ATOM 345 CA THR A 21 4.597 7.724 -1.278 1.00 0.00 C ATOM 346 C THR A 21 3.513 6.823 -0.679 1.00 0.00 C ATOM 347 O THR A 21 3.752 6.092 0.265 1.00 0.00 O ATOM 348 CB THR A 21 5.767 6.889 -1.815 1.00 0.00 C ATOM 349 OG1 THR A 21 5.288 6.001 -2.815 1.00 0.00 O ATOM 350 CG2 THR A 21 6.403 6.082 -0.678 1.00 0.00 C ATOM 0 H THR A 21 5.371 8.133 0.671 1.00 0.00 H new ATOM 0 HA THR A 21 4.121 8.303 -2.069 1.00 0.00 H new ATOM 0 HB THR A 21 6.518 7.555 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.033 5.467 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.232 5.493 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.772 6.763 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.658 5.416 -0.244 1.00 0.00 H new ATOM 358 N TRP A 22 2.331 6.851 -1.243 1.00 0.00 N ATOM 359 CA TRP A 22 1.231 5.977 -0.738 1.00 0.00 C ATOM 360 C TRP A 22 1.091 4.736 -1.624 1.00 0.00 C ATOM 361 O TRP A 22 0.255 4.687 -2.508 1.00 0.00 O ATOM 362 CB TRP A 22 -0.029 6.842 -0.821 1.00 0.00 C ATOM 363 CG TRP A 22 -0.162 7.665 0.424 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.843 8.350 1.020 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.353 7.905 1.230 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.344 8.990 2.141 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.003 8.746 2.312 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.688 7.475 1.129 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.945 9.149 3.259 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.639 7.879 2.080 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.268 8.714 3.143 1.00 0.00 C ATOM 0 H TRP A 22 2.081 7.444 -2.034 1.00 0.00 H new ATOM 0 HA TRP A 22 1.417 5.622 0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.022 7.492 -1.694 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.908 6.210 -0.946 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.866 8.390 0.677 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.904 9.571 2.765 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.984 6.830 0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.654 9.793 4.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.662 7.544 1.992 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.004 9.021 3.872 1.00 0.00 H new ATOM 382 N VAL A 23 1.873 3.719 -1.365 1.00 0.00 N ATOM 383 CA VAL A 23 1.759 2.456 -2.159 1.00 0.00 C ATOM 384 C VAL A 23 0.677 1.554 -1.556 1.00 0.00 C ATOM 385 O VAL A 23 0.272 1.728 -0.423 1.00 0.00 O ATOM 386 CB VAL A 23 3.139 1.793 -2.056 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.139 0.475 -2.836 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.202 2.724 -2.644 1.00 0.00 C ATOM 0 H VAL A 23 2.587 3.708 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 23 1.477 2.641 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 23 3.363 1.597 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.121 0.007 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.385 -0.194 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.911 0.672 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.181 2.251 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.973 2.922 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.210 3.663 -2.090 1.00 0.00 H new ATOM 398 N ILE A 24 0.251 0.558 -2.290 1.00 0.00 N ATOM 399 CA ILE A 24 -0.759 -0.405 -1.752 1.00 0.00 C ATOM 400 C ILE A 24 -0.405 -1.827 -2.199 1.00 0.00 C ATOM 401 O ILE A 24 0.048 -2.039 -3.309 1.00 0.00 O ATOM 402 CB ILE A 24 -2.097 0.038 -2.354 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.403 1.477 -1.925 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.214 -0.885 -1.858 1.00 0.00 C ATOM 405 CD1 ILE A 24 -1.911 2.447 -3.002 1.00 0.00 C ATOM 0 H ILE A 24 0.560 0.369 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.794 -0.410 -0.663 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.036 -0.014 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.475 1.602 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.917 1.695 -0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.165 -0.569 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.001 -1.910 -2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.272 -0.834 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.129 3.470 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.836 2.329 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.418 2.233 -3.943 1.00 0.00 H new ATOM 417 N LEU A 25 -0.629 -2.803 -1.354 1.00 0.00 N ATOM 418 CA LEU A 25 -0.327 -4.215 -1.741 1.00 0.00 C ATOM 419 C LEU A 25 -1.579 -5.092 -1.595 1.00 0.00 C ATOM 420 O LEU A 25 -2.274 -5.354 -2.560 1.00 0.00 O ATOM 421 CB LEU A 25 0.775 -4.665 -0.779 1.00 0.00 C ATOM 422 CG LEU A 25 2.142 -4.439 -1.427 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.392 -2.938 -1.584 1.00 0.00 C ATOM 424 CD2 LEU A 25 3.231 -5.046 -0.539 1.00 0.00 C ATOM 0 H LEU A 25 -1.007 -2.683 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.012 -4.299 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.707 -4.107 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.648 -5.719 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 25 2.162 -4.914 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.366 -2.778 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.616 -2.504 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.372 -2.461 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.206 -4.886 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.209 -4.569 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.054 -6.116 -0.426 1.00 0.00 H new ATOM 436 N HIS A 26 -1.896 -5.511 -0.393 1.00 0.00 N ATOM 437 CA HIS A 26 -3.130 -6.327 -0.179 1.00 0.00 C ATOM 438 C HIS A 26 -4.185 -5.492 0.548 1.00 0.00 C ATOM 439 O HIS A 26 -4.381 -5.623 1.741 1.00 0.00 O ATOM 440 CB HIS A 26 -2.682 -7.503 0.689 1.00 0.00 C ATOM 441 CG HIS A 26 -1.855 -8.450 -0.136 1.00 0.00 C ATOM 442 ND1 HIS A 26 -2.058 -9.821 -0.116 1.00 0.00 N ATOM 443 CD2 HIS A 26 -0.817 -8.238 -1.011 1.00 0.00 C ATOM 444 CE1 HIS A 26 -1.164 -10.376 -0.954 1.00 0.00 C ATOM 445 NE2 HIS A 26 -0.383 -9.456 -1.526 1.00 0.00 N ATOM 0 H HIS A 26 -1.352 -5.322 0.449 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.576 -6.663 -1.115 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -2.102 -7.142 1.538 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.551 -8.021 1.094 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.401 -7.273 -1.261 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.087 -11.437 -1.141 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.370 -9.612 -2.196 1.00 0.00 H new ATOM 453 N HIS A 27 -4.858 -4.619 -0.166 1.00 0.00 N ATOM 454 CA HIS A 27 -5.901 -3.747 0.468 1.00 0.00 C ATOM 455 C HIS A 27 -5.312 -2.975 1.659 1.00 0.00 C ATOM 456 O HIS A 27 -6.035 -2.492 2.510 1.00 0.00 O ATOM 457 CB HIS A 27 -7.006 -4.700 0.938 1.00 0.00 C ATOM 458 CG HIS A 27 -8.213 -3.905 1.351 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.513 -3.651 2.680 1.00 0.00 N ATOM 460 CD2 HIS A 27 -9.208 -3.301 0.622 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.644 -2.923 2.711 1.00 0.00 C ATOM 462 NE2 HIS A 27 -10.110 -2.682 1.482 1.00 0.00 N ATOM 0 H HIS A 27 -4.729 -4.472 -1.167 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.281 -3.003 -0.232 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.269 -5.391 0.137 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.650 -5.302 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.280 -3.306 -0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.117 -2.576 3.618 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.947 -2.157 1.229 1.00 0.00 H new ATOM 470 N LYS A 28 -4.011 -2.805 1.689 1.00 0.00 N ATOM 471 CA LYS A 28 -3.377 -2.009 2.782 1.00 0.00 C ATOM 472 C LYS A 28 -2.633 -0.814 2.182 1.00 0.00 C ATOM 473 O LYS A 28 -2.007 -0.924 1.143 1.00 0.00 O ATOM 474 CB LYS A 28 -2.396 -2.974 3.466 1.00 0.00 C ATOM 475 CG LYS A 28 -2.699 -3.047 4.965 1.00 0.00 C ATOM 476 CD LYS A 28 -1.649 -3.920 5.657 1.00 0.00 C ATOM 477 CE LYS A 28 -1.783 -5.365 5.168 1.00 0.00 C ATOM 478 NZ LYS A 28 -1.564 -6.201 6.381 1.00 0.00 N ATOM 0 H LYS A 28 -3.362 -3.185 1.001 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.106 -1.613 3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.477 -3.966 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.371 -2.637 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.696 -2.046 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.694 -3.461 5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.649 -3.544 5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.780 -3.877 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.767 -5.546 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.049 -5.590 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.640 -7.207 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.617 -6.012 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.282 -5.969 7.097 1.00 0.00 H new ATOM 492 N VAL A 29 -2.690 0.323 2.831 1.00 0.00 N ATOM 493 CA VAL A 29 -1.978 1.525 2.303 1.00 0.00 C ATOM 494 C VAL A 29 -0.588 1.628 2.929 1.00 0.00 C ATOM 495 O VAL A 29 -0.395 1.317 4.088 1.00 0.00 O ATOM 496 CB VAL A 29 -2.845 2.724 2.703 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.234 4.003 2.129 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.264 2.549 2.150 1.00 0.00 C ATOM 0 H VAL A 29 -3.199 0.469 3.703 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.838 1.478 1.223 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.888 2.789 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.848 4.858 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.226 4.134 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.192 3.930 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.875 3.405 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.225 2.481 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.703 1.637 2.555 1.00 0.00 H new ATOM 508 N TYR A 30 0.389 2.013 2.149 1.00 0.00 N ATOM 509 CA TYR A 30 1.785 2.080 2.667 1.00 0.00 C ATOM 510 C TYR A 30 2.288 3.525 2.705 1.00 0.00 C ATOM 511 O TYR A 30 2.294 4.209 1.700 1.00 0.00 O ATOM 512 CB TYR A 30 2.612 1.280 1.660 1.00 0.00 C ATOM 513 CG TYR A 30 2.497 -0.194 1.950 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.252 -0.827 1.892 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.641 -0.928 2.275 1.00 0.00 C ATOM 516 CE1 TYR A 30 1.149 -2.194 2.161 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.541 -2.296 2.543 1.00 0.00 C ATOM 518 CZ TYR A 30 2.294 -2.931 2.488 1.00 0.00 C ATOM 519 OH TYR A 30 2.195 -4.282 2.751 1.00 0.00 O ATOM 0 H TYR A 30 0.278 2.285 1.172 1.00 0.00 H new ATOM 0 HA TYR A 30 1.854 1.691 3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.266 1.487 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.656 1.588 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.369 -0.259 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.602 -0.438 2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.187 -2.682 2.117 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.425 -2.863 2.793 1.00 0.00 H new ATOM 0 HH TYR A 30 3.083 -4.641 2.960 1.00 0.00 H new ATOM 529 N ASP A 31 2.880 3.920 3.802 1.00 0.00 N ATOM 530 CA ASP A 31 3.585 5.238 3.841 1.00 0.00 C ATOM 531 C ASP A 31 5.092 4.982 3.897 1.00 0.00 C ATOM 532 O ASP A 31 5.669 4.852 4.960 1.00 0.00 O ATOM 533 CB ASP A 31 3.093 5.923 5.118 1.00 0.00 C ATOM 534 CG ASP A 31 3.783 7.281 5.276 1.00 0.00 C ATOM 535 OD1 ASP A 31 4.050 7.909 4.264 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.031 7.670 6.405 1.00 0.00 O ATOM 0 H ASP A 31 2.906 3.388 4.672 1.00 0.00 H new ATOM 0 HA ASP A 31 3.386 5.859 2.968 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.012 6.056 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.304 5.295 5.983 1.00 0.00 H new ATOM 541 N LEU A 32 5.709 4.814 2.756 1.00 0.00 N ATOM 542 CA LEU A 32 7.161 4.453 2.728 1.00 0.00 C ATOM 543 C LEU A 32 8.023 5.708 2.561 1.00 0.00 C ATOM 544 O LEU A 32 9.109 5.652 2.013 1.00 0.00 O ATOM 545 CB LEU A 32 7.331 3.522 1.515 1.00 0.00 C ATOM 546 CG LEU A 32 6.308 2.365 1.568 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.501 2.328 0.264 1.00 0.00 C ATOM 548 CD2 LEU A 32 7.038 1.029 1.754 1.00 0.00 C ATOM 0 H LEU A 32 5.271 4.911 1.840 1.00 0.00 H new ATOM 0 HA LEU A 32 7.474 3.973 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.199 4.089 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.343 3.119 1.499 1.00 0.00 H new ATOM 0 HG LEU A 32 5.634 2.526 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.781 1.511 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.972 3.272 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.176 2.174 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.310 0.219 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.719 0.867 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.604 1.050 2.685 1.00 0.00 H new ATOM 560 N THR A 33 7.571 6.827 3.069 1.00 0.00 N ATOM 561 CA THR A 33 8.390 8.076 2.986 1.00 0.00 C ATOM 562 C THR A 33 9.702 7.906 3.761 1.00 0.00 C ATOM 563 O THR A 33 10.708 8.503 3.429 1.00 0.00 O ATOM 564 CB THR A 33 7.525 9.176 3.616 1.00 0.00 C ATOM 565 OG1 THR A 33 8.241 10.403 3.600 1.00 0.00 O ATOM 566 CG2 THR A 33 7.175 8.810 5.063 1.00 0.00 C ATOM 0 H THR A 33 6.671 6.930 3.537 1.00 0.00 H new ATOM 0 HA THR A 33 8.660 8.318 1.958 1.00 0.00 H new ATOM 0 HB THR A 33 6.603 9.277 3.043 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.691 11.108 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.561 9.598 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.623 7.870 5.077 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.092 8.701 5.643 1.00 0.00 H new ATOM 574 N LYS A 34 9.707 7.059 4.760 1.00 0.00 N ATOM 575 CA LYS A 34 10.962 6.804 5.526 1.00 0.00 C ATOM 576 C LYS A 34 11.763 5.678 4.866 1.00 0.00 C ATOM 577 O LYS A 34 12.979 5.658 4.918 1.00 0.00 O ATOM 578 CB LYS A 34 10.497 6.385 6.922 1.00 0.00 C ATOM 579 CG LYS A 34 11.632 6.598 7.925 1.00 0.00 C ATOM 580 CD LYS A 34 12.652 5.465 7.792 1.00 0.00 C ATOM 581 CE LYS A 34 13.255 5.155 9.164 1.00 0.00 C ATOM 582 NZ LYS A 34 14.064 6.357 9.508 1.00 0.00 N ATOM 0 H LYS A 34 8.893 6.533 5.078 1.00 0.00 H new ATOM 0 HA LYS A 34 11.611 7.679 5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.624 6.968 7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.194 5.338 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.115 7.559 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.234 6.626 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.172 4.575 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.439 5.750 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.477 4.977 9.906 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.874 4.259 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.716 6.126 10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.610 6.658 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.432 7.128 9.804 1.00 0.00 H new ATOM 596 N PHE A 35 11.090 4.769 4.207 1.00 0.00 N ATOM 597 CA PHE A 35 11.805 3.670 3.491 1.00 0.00 C ATOM 598 C PHE A 35 12.347 4.176 2.149 1.00 0.00 C ATOM 599 O PHE A 35 13.346 3.692 1.653 1.00 0.00 O ATOM 600 CB PHE A 35 10.747 2.585 3.274 1.00 0.00 C ATOM 601 CG PHE A 35 11.370 1.393 2.585 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.487 0.764 3.148 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.831 0.920 1.384 1.00 0.00 C ATOM 604 CE1 PHE A 35 13.065 -0.339 2.508 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.409 -0.183 0.744 1.00 0.00 C ATOM 606 CZ PHE A 35 12.526 -0.812 1.306 1.00 0.00 C ATOM 0 H PHE A 35 10.073 4.741 4.134 1.00 0.00 H new ATOM 0 HA PHE A 35 12.660 3.296 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.322 2.282 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.928 2.978 2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.903 1.129 4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.969 1.406 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.927 -0.825 2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.993 -0.548 -0.183 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.972 -1.663 0.812 1.00 0.00 H new ATOM 616 N LEU A 36 11.712 5.171 1.576 1.00 0.00 N ATOM 617 CA LEU A 36 12.208 5.738 0.283 1.00 0.00 C ATOM 618 C LEU A 36 13.633 6.274 0.450 1.00 0.00 C ATOM 619 O LEU A 36 14.423 6.254 -0.475 1.00 0.00 O ATOM 620 CB LEU A 36 11.245 6.879 -0.054 1.00 0.00 C ATOM 621 CG LEU A 36 11.055 6.957 -1.570 1.00 0.00 C ATOM 622 CD1 LEU A 36 9.978 7.992 -1.898 1.00 0.00 C ATOM 623 CD2 LEU A 36 12.374 7.370 -2.227 1.00 0.00 C ATOM 0 H LEU A 36 10.872 5.614 1.948 1.00 0.00 H new ATOM 0 HA LEU A 36 12.240 4.987 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.285 6.715 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.638 7.823 0.323 1.00 0.00 H new ATOM 0 HG LEU A 36 10.748 5.982 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.843 8.047 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.038 7.700 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.284 8.968 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.240 7.426 -3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.680 8.345 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.143 6.633 -1.994 1.00 0.00 H new ATOM 635 N GLU A 37 13.977 6.706 1.636 1.00 0.00 N ATOM 636 CA GLU A 37 15.365 7.194 1.888 1.00 0.00 C ATOM 637 C GLU A 37 16.098 6.236 2.831 1.00 0.00 C ATOM 638 O GLU A 37 16.989 6.631 3.561 1.00 0.00 O ATOM 639 CB GLU A 37 15.191 8.564 2.544 1.00 0.00 C ATOM 640 CG GLU A 37 16.466 9.389 2.351 1.00 0.00 C ATOM 641 CD GLU A 37 16.165 10.865 2.621 1.00 0.00 C ATOM 642 OE1 GLU A 37 16.168 11.247 3.779 1.00 0.00 O ATOM 643 OE2 GLU A 37 15.937 11.587 1.665 1.00 0.00 O ATOM 0 H GLU A 37 13.354 6.742 2.443 1.00 0.00 H new ATOM 0 HA GLU A 37 15.955 7.253 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.339 9.084 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.979 8.446 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.246 9.036 3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.843 9.264 1.336 1.00 0.00 H new ATOM 650 N GLU A 38 15.749 4.975 2.795 1.00 0.00 N ATOM 651 CA GLU A 38 16.445 3.975 3.658 1.00 0.00 C ATOM 652 C GLU A 38 17.440 3.159 2.829 1.00 0.00 C ATOM 653 O GLU A 38 18.613 3.090 3.146 1.00 0.00 O ATOM 654 CB GLU A 38 15.332 3.074 4.197 1.00 0.00 C ATOM 655 CG GLU A 38 14.857 3.605 5.551 1.00 0.00 C ATOM 656 CD GLU A 38 15.688 2.971 6.668 1.00 0.00 C ATOM 657 OE1 GLU A 38 16.869 3.266 6.741 1.00 0.00 O ATOM 658 OE2 GLU A 38 15.128 2.202 7.432 1.00 0.00 O ATOM 0 H GLU A 38 15.010 4.595 2.203 1.00 0.00 H new ATOM 0 HA GLU A 38 17.013 4.447 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.500 3.045 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.696 2.052 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.954 4.690 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.801 3.375 5.694 1.00 0.00 H new ATOM 665 N HIS A 39 16.987 2.570 1.750 1.00 0.00 N ATOM 666 CA HIS A 39 17.909 1.790 0.872 1.00 0.00 C ATOM 667 C HIS A 39 17.976 2.427 -0.527 1.00 0.00 C ATOM 668 O HIS A 39 17.320 1.966 -1.440 1.00 0.00 O ATOM 669 CB HIS A 39 17.298 0.390 0.801 1.00 0.00 C ATOM 670 CG HIS A 39 17.296 -0.227 2.171 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.185 -0.186 2.999 1.00 0.00 N ATOM 672 CD2 HIS A 39 18.262 -0.904 2.875 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.506 -0.819 4.142 1.00 0.00 C ATOM 674 NE2 HIS A 39 17.761 -1.277 4.119 1.00 0.00 N ATOM 0 H HIS A 39 16.016 2.597 1.440 1.00 0.00 H new ATOM 0 HA HIS A 39 18.929 1.768 1.257 1.00 0.00 H new ATOM 0 HB2 HIS A 39 16.280 0.445 0.414 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.868 -0.232 0.111 1.00 0.00 H new ATOM 0 HD1 HIS A 39 15.287 0.246 2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 39 19.259 -1.115 2.517 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.831 -0.942 4.976 1.00 0.00 H new ATOM 682 N PRO A 40 18.770 3.473 -0.657 1.00 0.00 N ATOM 683 CA PRO A 40 18.909 4.165 -1.972 1.00 0.00 C ATOM 684 C PRO A 40 19.276 3.171 -3.080 1.00 0.00 C ATOM 685 O PRO A 40 20.439 2.926 -3.344 1.00 0.00 O ATOM 686 CB PRO A 40 20.050 5.152 -1.739 1.00 0.00 C ATOM 687 CG PRO A 40 20.058 5.391 -0.264 1.00 0.00 C ATOM 688 CD PRO A 40 19.599 4.111 0.381 1.00 0.00 C ATOM 0 HA PRO A 40 17.985 4.646 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 40 21.002 4.743 -2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.888 6.079 -2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 40 21.057 5.662 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.396 6.216 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 40 20.442 3.480 0.663 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.026 4.303 1.288 1.00 0.00 H new ATOM 696 N GLY A 41 18.293 2.628 -3.753 1.00 0.00 N ATOM 697 CA GLY A 41 18.576 1.685 -4.875 1.00 0.00 C ATOM 698 C GLY A 41 18.146 2.320 -6.198 1.00 0.00 C ATOM 699 O GLY A 41 18.879 3.088 -6.793 1.00 0.00 O ATOM 0 H GLY A 41 17.304 2.798 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.639 1.446 -4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.042 0.748 -4.719 1.00 0.00 H new ATOM 703 N GLY A 42 16.947 2.035 -6.639 1.00 0.00 N ATOM 704 CA GLY A 42 16.441 2.652 -7.900 1.00 0.00 C ATOM 705 C GLY A 42 15.264 3.576 -7.581 1.00 0.00 C ATOM 706 O GLY A 42 14.232 3.516 -8.218 1.00 0.00 O ATOM 0 H GLY A 42 16.296 1.400 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.237 3.215 -8.387 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.128 1.875 -8.597 1.00 0.00 H new ATOM 710 N GLU A 43 15.433 4.456 -6.624 1.00 0.00 N ATOM 711 CA GLU A 43 14.351 5.433 -6.266 1.00 0.00 C ATOM 712 C GLU A 43 13.049 4.696 -5.901 1.00 0.00 C ATOM 713 O GLU A 43 12.808 4.405 -4.744 1.00 0.00 O ATOM 714 CB GLU A 43 14.163 6.323 -7.503 1.00 0.00 C ATOM 715 CG GLU A 43 15.137 7.502 -7.436 1.00 0.00 C ATOM 716 CD GLU A 43 16.456 7.113 -8.108 1.00 0.00 C ATOM 717 OE1 GLU A 43 16.524 7.190 -9.323 1.00 0.00 O ATOM 718 OE2 GLU A 43 17.376 6.748 -7.394 1.00 0.00 O ATOM 0 H GLU A 43 16.284 4.542 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 43 14.618 6.028 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.337 5.745 -8.410 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.137 6.687 -7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.706 8.372 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.314 7.782 -6.398 1.00 0.00 H new ATOM 725 N GLU A 44 12.230 4.361 -6.870 1.00 0.00 N ATOM 726 CA GLU A 44 10.974 3.610 -6.569 1.00 0.00 C ATOM 727 C GLU A 44 11.207 2.105 -6.732 1.00 0.00 C ATOM 728 O GLU A 44 11.296 1.598 -7.834 1.00 0.00 O ATOM 729 CB GLU A 44 9.958 4.110 -7.596 1.00 0.00 C ATOM 730 CG GLU A 44 9.720 5.608 -7.390 1.00 0.00 C ATOM 731 CD GLU A 44 9.453 6.274 -8.741 1.00 0.00 C ATOM 732 OE1 GLU A 44 10.067 5.865 -9.713 1.00 0.00 O ATOM 733 OE2 GLU A 44 8.640 7.182 -8.781 1.00 0.00 O ATOM 0 H GLU A 44 12.379 4.576 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 44 10.631 3.770 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.324 3.924 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.020 3.564 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.873 5.764 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.589 6.063 -6.914 1.00 0.00 H new ATOM 740 N VAL A 45 11.261 1.385 -5.641 1.00 0.00 N ATOM 741 CA VAL A 45 11.438 -0.098 -5.721 1.00 0.00 C ATOM 742 C VAL A 45 10.136 -0.816 -5.346 1.00 0.00 C ATOM 743 O VAL A 45 9.890 -1.930 -5.769 1.00 0.00 O ATOM 744 CB VAL A 45 12.549 -0.429 -4.717 1.00 0.00 C ATOM 745 CG1 VAL A 45 13.841 0.276 -5.133 1.00 0.00 C ATOM 746 CG2 VAL A 45 12.147 0.040 -3.313 1.00 0.00 C ATOM 0 H VAL A 45 11.190 1.760 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 45 11.695 -0.423 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 45 12.705 -1.508 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.630 0.040 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 45 14.137 -0.063 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.678 1.354 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.943 -0.200 -2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.983 1.118 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.229 -0.464 -3.010 1.00 0.00 H new ATOM 756 N LEU A 46 9.290 -0.174 -4.578 1.00 0.00 N ATOM 757 CA LEU A 46 7.987 -0.805 -4.198 1.00 0.00 C ATOM 758 C LEU A 46 7.142 -1.079 -5.445 1.00 0.00 C ATOM 759 O LEU A 46 6.973 -2.213 -5.851 1.00 0.00 O ATOM 760 CB LEU A 46 7.294 0.218 -3.294 1.00 0.00 C ATOM 761 CG LEU A 46 8.104 0.391 -2.004 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.054 1.857 -1.558 1.00 0.00 C ATOM 763 CD2 LEU A 46 7.512 -0.500 -0.908 1.00 0.00 C ATOM 0 H LEU A 46 9.445 0.760 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 46 8.128 -1.762 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.204 1.174 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.283 -0.114 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 46 9.140 0.105 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.630 1.978 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.477 2.489 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.019 2.147 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.087 -0.378 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.476 -0.215 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.552 -1.542 -1.225 1.00 0.00 H new ATOM 775 N ARG A 47 6.633 -0.046 -6.068 1.00 0.00 N ATOM 776 CA ARG A 47 5.822 -0.237 -7.308 1.00 0.00 C ATOM 777 C ARG A 47 6.612 0.226 -8.536 1.00 0.00 C ATOM 778 O ARG A 47 6.518 -0.355 -9.599 1.00 0.00 O ATOM 779 CB ARG A 47 4.583 0.635 -7.108 1.00 0.00 C ATOM 780 CG ARG A 47 3.521 0.259 -8.143 1.00 0.00 C ATOM 781 CD ARG A 47 2.128 0.419 -7.529 1.00 0.00 C ATOM 782 NE ARG A 47 1.737 1.836 -7.811 1.00 0.00 N ATOM 783 CZ ARG A 47 0.475 2.215 -7.798 1.00 0.00 C ATOM 784 NH1 ARG A 47 -0.493 1.380 -7.495 1.00 0.00 N ATOM 785 NH2 ARG A 47 0.179 3.452 -8.094 1.00 0.00 N ATOM 0 H ARG A 47 6.745 0.923 -5.770 1.00 0.00 H new ATOM 0 HA ARG A 47 5.563 -1.283 -7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.189 0.499 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.846 1.688 -7.208 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.616 0.894 -9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.668 -0.769 -8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.419 -0.281 -7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.145 0.221 -6.457 1.00 0.00 H new ATOM 0 HE ARG A 47 2.463 2.523 -8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.276 0.411 -7.262 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.461 1.701 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.920 4.111 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.794 3.759 -8.088 1.00 0.00 H new ATOM 799 N GLU A 48 7.416 1.253 -8.385 1.00 0.00 N ATOM 800 CA GLU A 48 8.254 1.748 -9.528 1.00 0.00 C ATOM 801 C GLU A 48 7.385 2.017 -10.763 1.00 0.00 C ATOM 802 O GLU A 48 7.830 1.882 -11.886 1.00 0.00 O ATOM 803 CB GLU A 48 9.259 0.627 -9.812 1.00 0.00 C ATOM 804 CG GLU A 48 10.463 1.198 -10.565 1.00 0.00 C ATOM 805 CD GLU A 48 11.570 0.145 -10.630 1.00 0.00 C ATOM 806 OE1 GLU A 48 11.458 -0.754 -11.446 1.00 0.00 O ATOM 807 OE2 GLU A 48 12.513 0.257 -9.864 1.00 0.00 O ATOM 0 H GLU A 48 7.529 1.773 -7.515 1.00 0.00 H new ATOM 0 HA GLU A 48 8.751 2.687 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.585 0.171 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.787 -0.158 -10.402 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.169 1.494 -11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.828 2.094 -10.063 1.00 0.00 H new ATOM 814 N GLN A 49 6.158 2.435 -10.557 1.00 0.00 N ATOM 815 CA GLN A 49 5.251 2.763 -11.708 1.00 0.00 C ATOM 816 C GLN A 49 5.167 1.583 -12.686 1.00 0.00 C ATOM 817 O GLN A 49 6.025 1.400 -13.527 1.00 0.00 O ATOM 818 CB GLN A 49 5.878 3.983 -12.389 1.00 0.00 C ATOM 819 CG GLN A 49 5.417 5.258 -11.678 1.00 0.00 C ATOM 820 CD GLN A 49 5.977 5.281 -10.255 1.00 0.00 C ATOM 821 OE1 GLN A 49 7.107 5.675 -10.041 1.00 0.00 O ATOM 822 NE2 GLN A 49 5.230 4.873 -9.266 1.00 0.00 N ATOM 0 H GLN A 49 5.742 2.564 -9.635 1.00 0.00 H new ATOM 0 HA GLN A 49 4.234 2.965 -11.373 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.965 3.910 -12.360 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.589 4.015 -13.439 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.756 6.136 -12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.328 5.299 -11.652 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.282 4.542 -9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.594 4.885 -8.313 1.00 0.00 H new ATOM 831 N ALA A 50 4.112 0.806 -12.604 1.00 0.00 N ATOM 832 CA ALA A 50 3.927 -0.345 -13.550 1.00 0.00 C ATOM 833 C ALA A 50 5.162 -1.255 -13.545 1.00 0.00 C ATOM 834 O ALA A 50 6.121 -1.015 -14.254 1.00 0.00 O ATOM 835 CB ALA A 50 3.731 0.287 -14.932 1.00 0.00 C ATOM 0 H ALA A 50 3.366 0.920 -11.918 1.00 0.00 H new ATOM 0 HA ALA A 50 3.078 -0.966 -13.265 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.590 -0.498 -15.675 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.853 0.933 -14.915 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.611 0.877 -15.191 1.00 0.00 H new ATOM 841 N GLY A 51 5.124 -2.314 -12.777 1.00 0.00 N ATOM 842 CA GLY A 51 6.270 -3.269 -12.751 1.00 0.00 C ATOM 843 C GLY A 51 5.995 -4.371 -11.726 1.00 0.00 C ATOM 844 O GLY A 51 6.314 -5.524 -11.942 1.00 0.00 O ATOM 0 H GLY A 51 4.345 -2.558 -12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.416 -3.705 -13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.190 -2.743 -12.496 1.00 0.00 H new ATOM 848 N GLY A 52 5.369 -4.027 -10.628 1.00 0.00 N ATOM 849 CA GLY A 52 5.026 -5.055 -9.601 1.00 0.00 C ATOM 850 C GLY A 52 4.479 -4.366 -8.351 1.00 0.00 C ATOM 851 O GLY A 52 5.063 -3.424 -7.846 1.00 0.00 O ATOM 0 H GLY A 52 5.081 -3.076 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.286 -5.749 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.910 -5.641 -9.349 1.00 0.00 H new ATOM 855 N ASP A 53 3.383 -4.852 -7.827 1.00 0.00 N ATOM 856 CA ASP A 53 2.813 -4.257 -6.580 1.00 0.00 C ATOM 857 C ASP A 53 1.814 -5.226 -5.937 1.00 0.00 C ATOM 858 O ASP A 53 0.617 -5.011 -5.972 1.00 0.00 O ATOM 859 CB ASP A 53 2.110 -2.970 -7.032 1.00 0.00 C ATOM 860 CG ASP A 53 1.034 -3.296 -8.073 1.00 0.00 C ATOM 861 OD1 ASP A 53 1.394 -3.537 -9.213 1.00 0.00 O ATOM 862 OD2 ASP A 53 -0.131 -3.298 -7.711 1.00 0.00 O ATOM 0 H ASP A 53 2.857 -5.637 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 53 3.580 -4.055 -5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.658 -2.473 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.838 -2.278 -7.455 1.00 0.00 H new ATOM 867 N ALA A 54 2.304 -6.270 -5.318 1.00 0.00 N ATOM 868 CA ALA A 54 1.396 -7.235 -4.629 1.00 0.00 C ATOM 869 C ALA A 54 2.096 -7.842 -3.411 1.00 0.00 C ATOM 870 O ALA A 54 1.567 -7.838 -2.315 1.00 0.00 O ATOM 871 CB ALA A 54 1.100 -8.314 -5.671 1.00 0.00 C ATOM 0 H ALA A 54 3.297 -6.496 -5.260 1.00 0.00 H new ATOM 0 HA ALA A 54 0.485 -6.758 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.436 -9.064 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.621 -7.860 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.032 -8.788 -5.978 1.00 0.00 H new ATOM 877 N THR A 55 3.298 -8.329 -3.589 1.00 0.00 N ATOM 878 CA THR A 55 4.062 -8.897 -2.438 1.00 0.00 C ATOM 879 C THR A 55 5.254 -7.998 -2.100 1.00 0.00 C ATOM 880 O THR A 55 5.557 -7.062 -2.817 1.00 0.00 O ATOM 881 CB THR A 55 4.542 -10.268 -2.919 1.00 0.00 C ATOM 882 OG1 THR A 55 3.493 -10.914 -3.628 1.00 0.00 O ATOM 883 CG2 THR A 55 4.948 -11.120 -1.716 1.00 0.00 C ATOM 0 H THR A 55 3.784 -8.358 -4.485 1.00 0.00 H new ATOM 0 HA THR A 55 3.455 -8.972 -1.536 1.00 0.00 H new ATOM 0 HB THR A 55 5.401 -10.142 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.800 -11.792 -3.938 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.290 -12.096 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.753 -10.624 -1.174 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.091 -11.248 -1.055 1.00 0.00 H new ATOM 891 N GLU A 56 5.954 -8.301 -1.037 1.00 0.00 N ATOM 892 CA GLU A 56 7.158 -7.497 -0.671 1.00 0.00 C ATOM 893 C GLU A 56 8.245 -8.407 -0.092 1.00 0.00 C ATOM 894 O GLU A 56 8.904 -8.065 0.872 1.00 0.00 O ATOM 895 CB GLU A 56 6.668 -6.508 0.388 1.00 0.00 C ATOM 896 CG GLU A 56 6.361 -5.162 -0.271 1.00 0.00 C ATOM 897 CD GLU A 56 7.613 -4.283 -0.246 1.00 0.00 C ATOM 898 OE1 GLU A 56 8.629 -4.720 -0.758 1.00 0.00 O ATOM 899 OE2 GLU A 56 7.534 -3.187 0.284 1.00 0.00 O ATOM 0 H GLU A 56 5.743 -9.073 -0.405 1.00 0.00 H new ATOM 0 HA GLU A 56 7.593 -6.990 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.775 -6.897 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.426 -6.382 1.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.032 -5.315 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.545 -4.666 0.254 1.00 0.00 H new ATOM 906 N ASN A 57 8.461 -9.546 -0.701 1.00 0.00 N ATOM 907 CA ASN A 57 9.535 -10.466 -0.221 1.00 0.00 C ATOM 908 C ASN A 57 10.870 -10.114 -0.883 1.00 0.00 C ATOM 909 O ASN A 57 11.926 -10.313 -0.311 1.00 0.00 O ATOM 910 CB ASN A 57 9.078 -11.862 -0.645 1.00 0.00 C ATOM 911 CG ASN A 57 8.314 -12.521 0.504 1.00 0.00 C ATOM 912 OD1 ASN A 57 8.582 -12.255 1.659 1.00 0.00 O ATOM 913 ND2 ASN A 57 7.365 -13.376 0.236 1.00 0.00 N ATOM 0 H ASN A 57 7.938 -9.878 -1.511 1.00 0.00 H new ATOM 0 HA ASN A 57 9.688 -10.396 0.856 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.442 -11.795 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.940 -12.471 -0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.849 -13.820 0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.139 -13.600 -0.733 1.00 0.00 H new ATOM 920 N PHE A 58 10.829 -9.563 -2.070 1.00 0.00 N ATOM 921 CA PHE A 58 12.093 -9.160 -2.761 1.00 0.00 C ATOM 922 C PHE A 58 12.860 -8.132 -1.919 1.00 0.00 C ATOM 923 O PHE A 58 14.072 -8.047 -1.981 1.00 0.00 O ATOM 924 CB PHE A 58 11.656 -8.552 -4.101 1.00 0.00 C ATOM 925 CG PHE A 58 10.738 -7.371 -3.866 1.00 0.00 C ATOM 926 CD1 PHE A 58 11.274 -6.130 -3.498 1.00 0.00 C ATOM 927 CD2 PHE A 58 9.354 -7.517 -4.018 1.00 0.00 C ATOM 928 CE1 PHE A 58 10.425 -5.037 -3.282 1.00 0.00 C ATOM 929 CE2 PHE A 58 8.506 -6.424 -3.801 1.00 0.00 C ATOM 930 CZ PHE A 58 9.042 -5.184 -3.433 1.00 0.00 C ATOM 0 H PHE A 58 9.973 -9.374 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 58 12.763 -10.007 -2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 58 12.532 -8.234 -4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.145 -9.305 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.342 -6.016 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.940 -8.473 -4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.838 -4.080 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.438 -6.538 -3.918 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.388 -4.341 -3.266 1.00 0.00 H new ATOM 940 N GLU A 59 12.163 -7.376 -1.103 1.00 0.00 N ATOM 941 CA GLU A 59 12.842 -6.375 -0.212 1.00 0.00 C ATOM 942 C GLU A 59 13.775 -5.467 -1.023 1.00 0.00 C ATOM 943 O GLU A 59 14.978 -5.641 -1.025 1.00 0.00 O ATOM 944 CB GLU A 59 13.642 -7.206 0.795 1.00 0.00 C ATOM 945 CG GLU A 59 13.622 -6.515 2.160 1.00 0.00 C ATOM 946 CD GLU A 59 14.179 -7.464 3.221 1.00 0.00 C ATOM 947 OE1 GLU A 59 13.587 -8.510 3.422 1.00 0.00 O ATOM 948 OE2 GLU A 59 15.191 -7.127 3.816 1.00 0.00 O ATOM 0 H GLU A 59 11.147 -7.408 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 59 12.122 -5.721 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.217 -8.206 0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.669 -7.324 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.216 -5.602 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.604 -6.223 2.417 1.00 0.00 H new ATOM 955 N ASP A 60 13.228 -4.463 -1.670 1.00 0.00 N ATOM 956 CA ASP A 60 14.071 -3.489 -2.438 1.00 0.00 C ATOM 957 C ASP A 60 15.042 -4.227 -3.377 1.00 0.00 C ATOM 958 O ASP A 60 16.243 -4.161 -3.206 1.00 0.00 O ATOM 959 CB ASP A 60 14.830 -2.703 -1.365 1.00 0.00 C ATOM 960 CG ASP A 60 15.771 -1.688 -2.021 1.00 0.00 C ATOM 961 OD1 ASP A 60 15.293 -0.639 -2.421 1.00 0.00 O ATOM 962 OD2 ASP A 60 16.953 -1.979 -2.113 1.00 0.00 O ATOM 0 H ASP A 60 12.226 -4.276 -1.699 1.00 0.00 H new ATOM 0 HA ASP A 60 13.474 -2.837 -3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.124 -2.188 -0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 60 15.401 -3.388 -0.738 1.00 0.00 H new ATOM 967 N VAL A 61 14.511 -4.882 -4.391 1.00 0.00 N ATOM 968 CA VAL A 61 15.346 -5.602 -5.421 1.00 0.00 C ATOM 969 C VAL A 61 16.592 -6.266 -4.809 1.00 0.00 C ATOM 970 O VAL A 61 17.630 -6.354 -5.438 1.00 0.00 O ATOM 971 CB VAL A 61 15.739 -4.535 -6.453 1.00 0.00 C ATOM 972 CG1 VAL A 61 14.479 -3.892 -7.038 1.00 0.00 C ATOM 973 CG2 VAL A 61 16.604 -3.451 -5.801 1.00 0.00 C ATOM 0 H VAL A 61 13.506 -4.949 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 61 14.781 -6.418 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 61 16.310 -5.015 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.763 -3.136 -7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.872 -4.656 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.904 -3.425 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 61 16.873 -2.703 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.045 -2.975 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.510 -3.903 -5.397 1.00 0.00 H new ATOM 983 N GLY A 62 16.476 -6.764 -3.604 1.00 0.00 N ATOM 984 CA GLY A 62 17.630 -7.461 -2.963 1.00 0.00 C ATOM 985 C GLY A 62 18.131 -6.635 -1.777 1.00 0.00 C ATOM 986 O GLY A 62 18.956 -5.755 -1.928 1.00 0.00 O ATOM 0 H GLY A 62 15.630 -6.717 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.328 -8.453 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.432 -7.600 -3.688 1.00 0.00 H new ATOM 990 N HIS A 63 17.664 -6.941 -0.592 1.00 0.00 N ATOM 991 CA HIS A 63 18.139 -6.205 0.619 1.00 0.00 C ATOM 992 C HIS A 63 19.393 -6.874 1.186 1.00 0.00 C ATOM 993 O HIS A 63 20.288 -6.215 1.673 1.00 0.00 O ATOM 994 CB HIS A 63 16.983 -6.299 1.616 1.00 0.00 C ATOM 995 CG HIS A 63 17.235 -5.360 2.764 1.00 0.00 C ATOM 996 ND1 HIS A 63 18.514 -5.042 3.192 1.00 0.00 N ATOM 997 CD2 HIS A 63 16.381 -4.664 3.583 1.00 0.00 C ATOM 998 CE1 HIS A 63 18.396 -4.189 4.225 1.00 0.00 C ATOM 999 NE2 HIS A 63 17.116 -3.924 4.505 1.00 0.00 N ATOM 0 H HIS A 63 16.974 -7.670 -0.411 1.00 0.00 H new ATOM 0 HA HIS A 63 18.404 -5.171 0.398 1.00 0.00 H new ATOM 0 HB2 HIS A 63 16.043 -6.046 1.125 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.886 -7.321 1.982 1.00 0.00 H new ATOM 0 HD1 HIS A 63 19.386 -5.391 2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 63 15.303 -4.687 3.521 1.00 0.00 H new ATOM 0 HE1 HIS A 63 19.233 -3.769 4.763 1.00 0.00 H new ATOM 1007 N SER A 64 19.476 -8.180 1.084 1.00 0.00 N ATOM 1008 CA SER A 64 20.686 -8.923 1.574 1.00 0.00 C ATOM 1009 C SER A 64 20.929 -8.643 3.067 1.00 0.00 C ATOM 1010 O SER A 64 20.471 -9.382 3.918 1.00 0.00 O ATOM 1011 CB SER A 64 21.860 -8.432 0.715 1.00 0.00 C ATOM 1012 OG SER A 64 22.195 -9.435 -0.236 1.00 0.00 O ATOM 0 H SER A 64 18.750 -8.770 0.678 1.00 0.00 H new ATOM 0 HA SER A 64 20.559 -10.002 1.482 1.00 0.00 H new ATOM 0 HB2 SER A 64 21.592 -7.506 0.206 1.00 0.00 H new ATOM 0 HB3 SER A 64 22.721 -8.211 1.346 1.00 0.00 H new ATOM 0 HG SER A 64 22.943 -9.125 -0.788 1.00 0.00 H new ATOM 1018 N THR A 65 21.606 -7.567 3.396 1.00 0.00 N ATOM 1019 CA THR A 65 21.830 -7.228 4.837 1.00 0.00 C ATOM 1020 C THR A 65 20.489 -7.017 5.547 1.00 0.00 C ATOM 1021 O THR A 65 19.490 -6.710 4.925 1.00 0.00 O ATOM 1022 CB THR A 65 22.649 -5.928 4.831 1.00 0.00 C ATOM 1023 OG1 THR A 65 22.870 -5.507 6.169 1.00 0.00 O ATOM 1024 CG2 THR A 65 21.894 -4.834 4.069 1.00 0.00 C ATOM 0 H THR A 65 22.012 -6.911 2.729 1.00 0.00 H new ATOM 0 HA THR A 65 22.349 -8.027 5.367 1.00 0.00 H new ATOM 0 HB THR A 65 23.604 -6.109 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.394 -4.679 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 65 22.483 -3.917 4.071 1.00 0.00 H new ATOM 0 HG22 THR A 65 21.727 -5.156 3.041 1.00 0.00 H new ATOM 0 HG23 THR A 65 20.935 -4.650 4.552 1.00 0.00 H new ATOM 1032 N ASP A 66 20.470 -7.142 6.854 1.00 0.00 N ATOM 1033 CA ASP A 66 19.207 -6.911 7.632 1.00 0.00 C ATOM 1034 C ASP A 66 18.056 -7.753 7.065 1.00 0.00 C ATOM 1035 O ASP A 66 17.354 -7.332 6.165 1.00 0.00 O ATOM 1036 CB ASP A 66 18.904 -5.418 7.481 1.00 0.00 C ATOM 1037 CG ASP A 66 19.768 -4.620 8.461 1.00 0.00 C ATOM 1038 OD1 ASP A 66 20.909 -5.004 8.662 1.00 0.00 O ATOM 1039 OD2 ASP A 66 19.274 -3.640 8.994 1.00 0.00 O ATOM 0 H ASP A 66 21.280 -7.396 7.420 1.00 0.00 H new ATOM 0 HA ASP A 66 19.320 -7.200 8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.104 -5.097 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.848 -5.229 7.674 1.00 0.00 H new ATOM 1044 N ALA A 67 17.841 -8.922 7.612 1.00 0.00 N ATOM 1045 CA ALA A 67 16.712 -9.780 7.140 1.00 0.00 C ATOM 1046 C ALA A 67 15.442 -9.472 7.937 1.00 0.00 C ATOM 1047 O ALA A 67 15.122 -10.147 8.896 1.00 0.00 O ATOM 1048 CB ALA A 67 17.173 -11.215 7.400 1.00 0.00 C ATOM 0 H ALA A 67 18.400 -9.320 8.367 1.00 0.00 H new ATOM 0 HA ALA A 67 16.475 -9.610 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 67 16.397 -11.910 7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 67 18.088 -11.410 6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.363 -11.349 8.465 1.00 0.00 H new ATOM 1054 N ARG A 68 14.696 -8.480 7.518 1.00 0.00 N ATOM 1055 CA ARG A 68 13.417 -8.150 8.217 1.00 0.00 C ATOM 1056 C ARG A 68 12.403 -7.575 7.223 1.00 0.00 C ATOM 1057 O ARG A 68 12.685 -6.629 6.512 1.00 0.00 O ATOM 1058 CB ARG A 68 13.792 -7.105 9.276 1.00 0.00 C ATOM 1059 CG ARG A 68 14.430 -5.882 8.606 1.00 0.00 C ATOM 1060 CD ARG A 68 15.096 -5.007 9.670 1.00 0.00 C ATOM 1061 NE ARG A 68 15.760 -3.904 8.908 1.00 0.00 N ATOM 1062 CZ ARG A 68 16.078 -2.762 9.488 1.00 0.00 C ATOM 1063 NH1 ARG A 68 15.866 -2.557 10.767 1.00 0.00 N ATOM 1064 NH2 ARG A 68 16.616 -1.814 8.771 1.00 0.00 N ATOM 0 H ARG A 68 14.918 -7.884 6.721 1.00 0.00 H new ATOM 0 HA ARG A 68 12.956 -9.030 8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.904 -6.803 9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.486 -7.538 9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.167 -6.201 7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.672 -5.310 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.362 -4.614 10.373 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.821 -5.577 10.251 1.00 0.00 H new ATOM 0 HE ARG A 68 15.971 -4.037 7.919 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.446 -3.290 11.338 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.122 -1.665 11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.786 -1.961 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.867 -0.926 9.205 1.00 0.00 H new ATOM 1078 N GLU A 69 11.215 -8.124 7.195 1.00 0.00 N ATOM 1079 CA GLU A 69 10.160 -7.592 6.277 1.00 0.00 C ATOM 1080 C GLU A 69 9.753 -6.176 6.697 1.00 0.00 C ATOM 1081 O GLU A 69 9.228 -5.967 7.776 1.00 0.00 O ATOM 1082 CB GLU A 69 8.977 -8.562 6.411 1.00 0.00 C ATOM 1083 CG GLU A 69 8.496 -8.609 7.868 1.00 0.00 C ATOM 1084 CD GLU A 69 8.162 -10.052 8.256 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.204 -10.582 7.719 1.00 0.00 O ATOM 1086 OE2 GLU A 69 8.872 -10.601 9.082 1.00 0.00 O ATOM 0 H GLU A 69 10.929 -8.918 7.768 1.00 0.00 H new ATOM 0 HA GLU A 69 10.510 -7.526 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.162 -8.245 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.275 -9.559 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.268 -8.214 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.617 -7.977 7.991 1.00 0.00 H new ATOM 1093 N LEU A 70 9.952 -5.212 5.834 1.00 0.00 N ATOM 1094 CA LEU A 70 9.536 -3.814 6.154 1.00 0.00 C ATOM 1095 C LEU A 70 8.098 -3.569 5.688 1.00 0.00 C ATOM 1096 O LEU A 70 7.376 -2.780 6.269 1.00 0.00 O ATOM 1097 CB LEU A 70 10.510 -2.923 5.381 1.00 0.00 C ATOM 1098 CG LEU A 70 11.634 -2.464 6.311 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.721 -1.765 5.494 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.070 -1.487 7.345 1.00 0.00 C ATOM 0 H LEU A 70 10.386 -5.334 4.919 1.00 0.00 H new ATOM 0 HA LEU A 70 9.561 -3.611 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.925 -3.470 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.984 -2.059 4.975 1.00 0.00 H new ATOM 0 HG LEU A 70 12.061 -3.329 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.522 -1.438 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.123 -2.458 4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.295 -0.900 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.869 -1.158 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.644 -0.623 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.294 -1.983 7.929 1.00 0.00 H new ATOM 1112 N SER A 71 7.665 -4.272 4.671 1.00 0.00 N ATOM 1113 CA SER A 71 6.256 -4.120 4.194 1.00 0.00 C ATOM 1114 C SER A 71 5.290 -4.758 5.197 1.00 0.00 C ATOM 1115 O SER A 71 4.591 -5.706 4.886 1.00 0.00 O ATOM 1116 CB SER A 71 6.207 -4.855 2.852 1.00 0.00 C ATOM 1117 OG SER A 71 6.221 -6.257 3.085 1.00 0.00 O ATOM 0 H SER A 71 8.227 -4.945 4.150 1.00 0.00 H new ATOM 0 HA SER A 71 5.963 -3.075 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.308 -4.575 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.059 -4.568 2.236 1.00 0.00 H new ATOM 0 HG SER A 71 5.394 -6.521 3.540 1.00 0.00 H new ATOM 1123 N LYS A 72 5.222 -4.221 6.390 1.00 0.00 N ATOM 1124 CA LYS A 72 4.275 -4.763 7.412 1.00 0.00 C ATOM 1125 C LYS A 72 4.193 -3.817 8.614 1.00 0.00 C ATOM 1126 O LYS A 72 3.127 -3.569 9.146 1.00 0.00 O ATOM 1127 CB LYS A 72 4.870 -6.108 7.833 1.00 0.00 C ATOM 1128 CG LYS A 72 3.864 -6.863 8.702 1.00 0.00 C ATOM 1129 CD LYS A 72 4.050 -8.369 8.509 1.00 0.00 C ATOM 1130 CE LYS A 72 2.835 -9.112 9.071 1.00 0.00 C ATOM 1131 NZ LYS A 72 1.839 -9.110 7.965 1.00 0.00 N ATOM 0 H LYS A 72 5.784 -3.428 6.701 1.00 0.00 H new ATOM 0 HA LYS A 72 3.264 -4.868 7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.120 -6.699 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.797 -5.951 8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.004 -6.600 9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.848 -6.574 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.171 -8.598 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.957 -8.701 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.095 -10.128 9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.442 -8.613 9.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.879 -9.147 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.948 -8.243 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.994 -9.939 7.357 1.00 0.00 H new ATOM 1145 N THR A 73 5.305 -3.257 9.019 1.00 0.00 N ATOM 1146 CA THR A 73 5.293 -2.288 10.158 1.00 0.00 C ATOM 1147 C THR A 73 5.287 -0.841 9.644 1.00 0.00 C ATOM 1148 O THR A 73 4.959 0.075 10.373 1.00 0.00 O ATOM 1149 CB THR A 73 6.576 -2.569 10.946 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.646 -2.849 10.045 1.00 0.00 O ATOM 1151 CG2 THR A 73 6.349 -3.760 11.886 1.00 0.00 C ATOM 0 H THR A 73 6.223 -3.429 8.609 1.00 0.00 H new ATOM 0 HA THR A 73 4.402 -2.405 10.774 1.00 0.00 H new ATOM 0 HB THR A 73 6.838 -1.692 11.539 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.464 -3.026 10.554 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.262 -3.960 12.447 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.541 -3.527 12.579 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.083 -4.640 11.301 1.00 0.00 H new ATOM 1159 N TYR A 74 5.613 -0.631 8.389 1.00 0.00 N ATOM 1160 CA TYR A 74 5.586 0.754 7.826 1.00 0.00 C ATOM 1161 C TYR A 74 4.238 1.038 7.153 1.00 0.00 C ATOM 1162 O TYR A 74 4.133 1.909 6.308 1.00 0.00 O ATOM 1163 CB TYR A 74 6.714 0.781 6.793 1.00 0.00 C ATOM 1164 CG TYR A 74 8.015 1.142 7.469 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.473 0.386 8.555 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.764 2.231 7.010 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.679 0.720 9.182 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.970 2.566 7.636 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.429 1.810 8.723 1.00 0.00 C ATOM 1170 OH TYR A 74 11.617 2.140 9.340 1.00 0.00 O ATOM 0 H TYR A 74 5.896 -1.359 7.733 1.00 0.00 H new ATOM 0 HA TYR A 74 5.716 1.512 8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.802 -0.192 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.486 1.505 6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.895 -0.455 8.909 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.411 2.814 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.031 0.137 10.020 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.547 3.407 7.281 1.00 0.00 H new ATOM 0 HH TYR A 74 12.124 2.753 8.767 1.00 0.00 H new ATOM 1180 N ILE A 75 3.202 0.331 7.536 1.00 0.00 N ATOM 1181 CA ILE A 75 1.855 0.583 6.936 1.00 0.00 C ATOM 1182 C ILE A 75 1.133 1.668 7.743 1.00 0.00 C ATOM 1183 O ILE A 75 1.512 1.974 8.857 1.00 0.00 O ATOM 1184 CB ILE A 75 1.081 -0.750 7.021 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.993 -1.953 6.705 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.074 -0.723 6.018 1.00 0.00 C ATOM 1187 CD1 ILE A 75 2.598 -1.803 5.310 1.00 0.00 C ATOM 0 H ILE A 75 3.231 -0.409 8.238 1.00 0.00 H new ATOM 0 HA ILE A 75 1.931 0.924 5.903 1.00 0.00 H new ATOM 0 HB ILE A 75 0.706 -0.862 8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.787 -2.022 7.448 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.420 -2.878 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.625 -1.662 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.742 0.105 6.255 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.322 -0.593 5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.240 -2.658 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.799 -1.757 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.187 -0.887 5.266 1.00 0.00 H new ATOM 1199 N ILE A 76 0.097 2.248 7.191 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.653 3.314 7.931 1.00 0.00 C ATOM 1201 C ILE A 76 -2.129 2.932 8.100 1.00 0.00 C ATOM 1202 O ILE A 76 -2.746 3.258 9.096 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.517 4.579 7.075 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.030 4.314 5.652 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.954 4.989 7.016 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.027 5.619 4.855 1.00 0.00 C ATOM 0 H ILE A 76 -0.263 2.031 6.262 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.255 3.458 8.935 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.109 5.378 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.400 3.574 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.038 3.901 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.057 5.888 6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.317 5.189 8.024 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.539 4.183 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.391 5.430 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.676 6.346 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.012 6.013 4.806 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.691 2.231 7.148 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.119 1.811 7.268 1.00 0.00 C ATOM 1220 C GLY A 77 -4.515 0.991 6.041 1.00 0.00 C ATOM 1221 O GLY A 77 -3.672 0.528 5.297 1.00 0.00 O ATOM 0 H GLY A 77 -2.222 1.932 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.261 1.221 8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.761 2.688 7.355 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.794 0.847 5.803 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.254 0.100 4.595 1.00 0.00 C ATOM 1227 C GLU A 78 -7.076 1.018 3.687 1.00 0.00 C ATOM 1228 O GLU A 78 -7.215 2.198 3.947 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.124 -1.035 5.131 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.237 -2.213 5.543 1.00 0.00 C ATOM 1231 CD GLU A 78 -6.889 -2.961 6.707 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.101 -3.097 6.695 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.164 -3.386 7.593 1.00 0.00 O ATOM 0 H GLU A 78 -6.539 1.215 6.394 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.419 -0.273 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.705 -0.688 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.836 -1.352 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.094 -2.887 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.250 -1.854 5.835 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.663 0.469 2.653 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.528 1.290 1.754 1.00 0.00 C ATOM 1242 C LEU A 79 -10.000 0.917 1.956 1.00 0.00 C ATOM 1243 O LEU A 79 -10.324 -0.215 2.258 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.076 0.940 0.337 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.813 1.827 -0.669 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.884 2.154 -1.842 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -10.050 1.090 -1.188 1.00 0.00 C ATOM 0 H LEU A 79 -7.580 -0.514 2.393 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.438 2.357 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.999 1.082 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.279 -0.110 0.128 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.119 2.752 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.410 2.786 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.003 2.679 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.577 1.230 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.576 1.721 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.744 0.164 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.712 0.859 -0.354 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.891 1.854 1.750 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.351 1.551 1.885 1.00 0.00 C ATOM 1261 C HIS A 80 -12.760 0.453 0.884 1.00 0.00 C ATOM 1262 O HIS A 80 -12.760 0.690 -0.308 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.065 2.864 1.553 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.418 2.878 2.209 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.151 1.721 2.419 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.186 3.903 2.707 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.303 2.072 3.019 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.375 3.392 3.218 1.00 0.00 N ATOM 0 H HIS A 80 -10.672 2.817 1.494 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.605 1.189 2.881 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.472 3.711 1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.171 2.970 0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.909 4.947 2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.075 1.373 3.305 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.138 3.913 3.651 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.098 -0.720 1.388 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.507 -1.841 0.491 1.00 0.00 C ATOM 1278 C PRO A 81 -14.633 -1.409 -0.459 1.00 0.00 C ATOM 1279 O PRO A 81 -14.798 -1.965 -1.528 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.006 -2.912 1.459 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.317 -2.617 2.749 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.133 -1.125 2.804 1.00 0.00 C ATOM 0 HA PRO A 81 -12.693 -2.184 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.089 -2.869 1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.762 -3.912 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -13.910 -2.966 3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.356 -3.129 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.951 -0.641 3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.212 -0.855 3.320 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.389 -0.405 -0.086 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.487 0.087 -0.979 1.00 0.00 C ATOM 1292 C ASP A 82 -15.918 0.541 -2.326 1.00 0.00 C ATOM 1293 O ASP A 82 -16.578 0.461 -3.345 1.00 0.00 O ATOM 1294 CB ASP A 82 -17.111 1.271 -0.236 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.342 1.762 -1.000 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.167 2.304 -2.079 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -19.438 1.587 -0.494 1.00 0.00 O ATOM 0 H ASP A 82 -15.294 0.095 0.798 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.219 -0.692 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.392 0.973 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.384 2.077 -0.140 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.684 0.980 -2.341 1.00 0.00 N ATOM 1303 CA ASP A 83 -14.048 1.397 -3.627 1.00 0.00 C ATOM 1304 C ASP A 83 -13.093 0.309 -4.129 1.00 0.00 C ATOM 1305 O ASP A 83 -12.867 0.178 -5.317 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.278 2.674 -3.291 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.260 3.763 -2.850 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -15.281 3.910 -3.501 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.973 4.429 -1.870 1.00 0.00 O ATOM 0 H ASP A 83 -14.090 1.067 -1.517 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.783 1.558 -4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.556 2.478 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.713 3.010 -4.161 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.583 -0.513 -3.241 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.700 -1.646 -3.677 1.00 0.00 C ATOM 1316 C ARG A 84 -12.441 -2.525 -4.690 1.00 0.00 C ATOM 1317 O ARG A 84 -12.129 -2.525 -5.867 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.395 -2.436 -2.402 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.431 -3.580 -2.729 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.021 -3.019 -2.925 1.00 0.00 C ATOM 1321 NE ARG A 84 -8.107 -4.088 -2.418 1.00 0.00 N ATOM 1322 CZ ARG A 84 -7.886 -5.189 -3.109 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -8.424 -5.377 -4.294 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -7.115 -6.113 -2.607 1.00 0.00 N ATOM 0 H ARG A 84 -12.739 -0.449 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.788 -1.296 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.956 -1.779 -1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.317 -2.833 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.433 -4.313 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.757 -4.097 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.826 -2.798 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.886 -2.089 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.644 -3.963 -1.518 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.028 -4.662 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.237 -6.238 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.690 -5.980 -1.689 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.937 -6.969 -3.132 1.00 0.00 H new ATOM 1338 N SER A 85 -13.505 -3.157 -4.263 1.00 0.00 N ATOM 1339 CA SER A 85 -14.370 -3.901 -5.225 1.00 0.00 C ATOM 1340 C SER A 85 -15.141 -2.890 -6.084 1.00 0.00 C ATOM 1341 O SER A 85 -14.684 -1.780 -6.287 1.00 0.00 O ATOM 1342 CB SER A 85 -15.318 -4.724 -4.348 1.00 0.00 C ATOM 1343 OG SER A 85 -15.531 -5.994 -4.951 1.00 0.00 O ATOM 0 H SER A 85 -13.811 -3.189 -3.290 1.00 0.00 H new ATOM 0 HA SER A 85 -13.809 -4.542 -5.905 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.894 -4.848 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.267 -4.201 -4.228 1.00 0.00 H new ATOM 0 HG SER A 85 -16.136 -6.524 -4.392 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.336 -3.220 -6.514 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.156 -2.228 -7.264 1.00 0.00 C ATOM 1351 C LYS A 86 -18.502 -2.017 -6.546 1.00 0.00 C ATOM 1352 O LYS A 86 -18.572 -1.258 -5.598 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.328 -2.823 -8.670 1.00 0.00 C ATOM 1354 CG LYS A 86 -15.957 -2.979 -9.352 1.00 0.00 C ATOM 1355 CD LYS A 86 -15.228 -1.626 -9.441 1.00 0.00 C ATOM 1356 CE LYS A 86 -16.096 -0.595 -10.177 1.00 0.00 C ATOM 1357 NZ LYS A 86 -16.340 -1.182 -11.525 1.00 0.00 N ATOM 0 H LYS A 86 -16.774 -4.131 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.689 -1.245 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.822 -3.792 -8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.970 -2.178 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.347 -3.689 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.089 -3.391 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.995 -1.265 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.280 -1.751 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.033 -0.420 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.588 0.366 -10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.569 -0.423 -12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.487 -1.683 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.135 -1.851 -11.474 1.00 0.00 H new ATOM 1371 N ILE A 87 -19.551 -2.710 -6.937 1.00 0.00 N ATOM 1372 CA ILE A 87 -20.853 -2.564 -6.214 1.00 0.00 C ATOM 1373 C ILE A 87 -21.496 -3.940 -6.013 1.00 0.00 C ATOM 1374 O ILE A 87 -22.495 -4.265 -6.629 1.00 0.00 O ATOM 1375 CB ILE A 87 -21.735 -1.685 -7.117 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -20.996 -0.390 -7.508 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -23.027 -1.331 -6.375 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -20.619 0.420 -6.259 1.00 0.00 C ATOM 0 H ILE A 87 -19.559 -3.364 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.724 -2.118 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 87 -21.967 -2.240 -8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -20.097 -0.635 -8.073 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -21.628 0.212 -8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -23.654 -0.708 -7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -23.563 -2.246 -6.121 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -22.785 -0.787 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -20.098 1.330 -6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -21.523 0.683 -5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.968 -0.177 -5.621 1.00 0.00 H new ATOM 1390 N ALA A 88 -20.949 -4.734 -5.127 1.00 0.00 N ATOM 1391 CA ALA A 88 -21.544 -6.074 -4.845 1.00 0.00 C ATOM 1392 C ALA A 88 -22.728 -5.937 -3.883 1.00 0.00 C ATOM 1393 O ALA A 88 -22.599 -6.160 -2.694 1.00 0.00 O ATOM 1394 CB ALA A 88 -20.417 -6.881 -4.198 1.00 0.00 C ATOM 0 H ALA A 88 -20.114 -4.510 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 88 -21.923 -6.555 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.777 -7.882 -3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.577 -6.952 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -20.093 -6.385 -3.283 1.00 0.00 H new ATOM 1400 N LYS A 89 -23.885 -5.608 -4.398 1.00 0.00 N ATOM 1401 CA LYS A 89 -25.094 -5.497 -3.528 1.00 0.00 C ATOM 1402 C LYS A 89 -26.276 -6.246 -4.165 1.00 0.00 C ATOM 1403 O LYS A 89 -26.984 -5.689 -4.980 1.00 0.00 O ATOM 1404 CB LYS A 89 -25.389 -3.999 -3.448 1.00 0.00 C ATOM 1405 CG LYS A 89 -24.680 -3.403 -2.229 1.00 0.00 C ATOM 1406 CD LYS A 89 -23.317 -2.851 -2.651 1.00 0.00 C ATOM 1407 CE LYS A 89 -22.384 -2.815 -1.439 1.00 0.00 C ATOM 1408 NZ LYS A 89 -21.589 -4.071 -1.528 1.00 0.00 N ATOM 0 H LYS A 89 -24.045 -5.411 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 89 -24.935 -5.934 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -25.051 -3.502 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -26.464 -3.833 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -25.287 -2.609 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -24.553 -4.165 -1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -22.888 -3.474 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.431 -1.849 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.739 -1.937 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.948 -2.770 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -21.037 -4.195 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -22.231 -4.880 -1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.943 -4.016 -2.342 1.00 0.00 H new ATOM 1422 N PRO A 90 -26.460 -7.493 -3.775 1.00 0.00 N ATOM 1423 CA PRO A 90 -27.579 -8.309 -4.329 1.00 0.00 C ATOM 1424 C PRO A 90 -28.919 -7.577 -4.182 1.00 0.00 C ATOM 1425 O PRO A 90 -29.441 -7.435 -3.092 1.00 0.00 O ATOM 1426 CB PRO A 90 -27.562 -9.573 -3.473 1.00 0.00 C ATOM 1427 CG PRO A 90 -26.163 -9.671 -2.958 1.00 0.00 C ATOM 1428 CD PRO A 90 -25.662 -8.261 -2.802 1.00 0.00 C ATOM 0 HA PRO A 90 -27.463 -8.512 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -28.280 -9.506 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.829 -10.451 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -26.137 -10.199 -2.005 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -25.534 -10.231 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -25.809 -7.894 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -24.595 -8.190 -3.015 1.00 0.00 H new ATOM 1436 N SER A 91 -29.493 -7.148 -5.278 1.00 0.00 N ATOM 1437 CA SER A 91 -30.820 -6.465 -5.217 1.00 0.00 C ATOM 1438 C SER A 91 -31.876 -7.296 -5.949 1.00 0.00 C ATOM 1439 O SER A 91 -31.605 -7.895 -6.973 1.00 0.00 O ATOM 1440 CB SER A 91 -30.608 -5.126 -5.921 1.00 0.00 C ATOM 1441 OG SER A 91 -31.684 -4.253 -5.603 1.00 0.00 O ATOM 0 H SER A 91 -29.098 -7.242 -6.214 1.00 0.00 H new ATOM 0 HA SER A 91 -31.172 -6.336 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 91 -29.662 -4.684 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 91 -30.551 -5.274 -6.999 1.00 0.00 H new ATOM 0 HG SER A 91 -31.339 -3.347 -5.458 1.00 0.00 H new ATOM 1447 N GLU A 92 -33.087 -7.302 -5.451 1.00 0.00 N ATOM 1448 CA GLU A 92 -34.182 -8.056 -6.136 1.00 0.00 C ATOM 1449 C GLU A 92 -35.218 -7.086 -6.717 1.00 0.00 C ATOM 1450 O GLU A 92 -35.876 -7.386 -7.695 1.00 0.00 O ATOM 1451 CB GLU A 92 -34.809 -8.936 -5.049 1.00 0.00 C ATOM 1452 CG GLU A 92 -35.333 -8.066 -3.900 1.00 0.00 C ATOM 1453 CD GLU A 92 -36.222 -8.909 -2.985 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -35.687 -9.763 -2.295 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -37.421 -8.687 -2.988 1.00 0.00 O ATOM 0 H GLU A 92 -33.365 -6.817 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 92 -33.809 -8.651 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -35.625 -9.523 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -34.070 -9.643 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -34.499 -7.652 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -35.898 -7.223 -4.297 1.00 0.00 H new ATOM 1462 N THR A 93 -35.339 -5.914 -6.144 1.00 0.00 N ATOM 1463 CA THR A 93 -36.298 -4.905 -6.685 1.00 0.00 C ATOM 1464 C THR A 93 -35.623 -3.534 -6.784 1.00 0.00 C ATOM 1465 O THR A 93 -35.761 -2.702 -5.908 1.00 0.00 O ATOM 1466 CB THR A 93 -37.444 -4.867 -5.673 1.00 0.00 C ATOM 1467 OG1 THR A 93 -36.912 -4.881 -4.356 1.00 0.00 O ATOM 1468 CG2 THR A 93 -38.346 -6.086 -5.875 1.00 0.00 C ATOM 0 H THR A 93 -34.813 -5.613 -5.323 1.00 0.00 H new ATOM 0 HA THR A 93 -36.646 -5.160 -7.686 1.00 0.00 H new ATOM 0 HB THR A 93 -38.028 -3.958 -5.819 1.00 0.00 H new ATOM 0 HG1 THR A 93 -36.267 -4.150 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 93 -39.162 -6.058 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 93 -38.754 -6.073 -6.886 1.00 0.00 H new ATOM 0 HG23 THR A 93 -37.765 -6.997 -5.730 1.00 0.00 H new ATOM 1476 N LEU A 94 -34.928 -3.283 -7.865 1.00 0.00 N ATOM 1477 CA LEU A 94 -34.278 -1.953 -8.051 1.00 0.00 C ATOM 1478 C LEU A 94 -33.792 -1.798 -9.495 1.00 0.00 C ATOM 1479 O LEU A 94 -33.022 -2.637 -9.933 1.00 0.00 O ATOM 1480 CB LEU A 94 -33.093 -1.950 -7.085 1.00 0.00 C ATOM 1481 CG LEU A 94 -32.644 -0.511 -6.831 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -32.096 -0.390 -5.408 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -31.547 -0.136 -7.830 1.00 0.00 C ATOM 1484 OXT LEU A 94 -34.201 -0.846 -10.139 1.00 0.00 O ATOM 0 H LEU A 94 -34.783 -3.945 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 94 -34.964 -1.129 -7.856 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -33.375 -2.425 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -32.270 -2.531 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 94 -33.494 0.160 -6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -31.776 0.636 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -32.875 -0.658 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -31.246 -1.062 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -31.226 0.890 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -30.698 -0.809 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -31.935 -0.222 -8.845 1.00 0.00 H new TER 1496 LEU A 94