USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 814 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 95 HIS : no HE2:sc= 0.736 K(o=0.43,f=-8.7!) USER MOD Set 1.2: A 96 HIS : no HD1:sc= -0.308! C(o=0.43!,f=-8.3!) USER MOD Set 2.1: A 61 THR OG1 : rot 179:sc= 1.08 USER MOD Set 2.2: A 81 THR OG1 : rot -91:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.679 (180deg=-0.679) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 7:sc= 0.466 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.109 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.94) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 138:sc= -0.156 (180deg=-0.728) USER MOD Single : A 45 GLN : amide:sc= -4.97 K(o=-5,f=-1.3) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -0.0767 (180deg=-0.933) USER MOD Single : A 60 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.086) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.0605 X(o=0.061,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 7:sc= 0.896 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= -1.06 (180deg=-1.88) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 94 HIS : no HD1:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-0.23) USER MOD Single : A 98 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.956 13.370 16.516 1.00 1.00 N ATOM 2 CA MET A 1 -9.990 13.281 15.444 1.00 1.00 C ATOM 3 C MET A 1 -9.582 14.180 14.280 1.00 1.00 C ATOM 4 O MET A 1 -10.430 14.715 13.566 1.00 1.00 O ATOM 5 CB MET A 1 -11.350 13.737 16.010 1.00 1.00 C ATOM 6 CG MET A 1 -11.798 12.796 17.139 1.00 1.00 C ATOM 7 SD MET A 1 -13.403 13.349 17.759 1.00 1.00 S ATOM 8 CE MET A 1 -13.468 12.266 19.202 1.00 1.00 C ATOM 0 H1 MET A 1 -9.228 12.759 17.313 1.00 1.00 H new ATOM 0 H2 MET A 1 -8.038 13.059 16.139 1.00 1.00 H new ATOM 0 H3 MET A 1 -8.880 14.354 16.844 1.00 1.00 H new ATOM 0 HA MET A 1 -10.075 12.253 15.092 1.00 1.00 H new ATOM 0 HB2 MET A 1 -11.272 14.757 16.386 1.00 1.00 H new ATOM 0 HB3 MET A 1 -12.097 13.747 15.217 1.00 1.00 H new ATOM 0 HG2 MET A 1 -11.868 11.772 16.771 1.00 1.00 H new ATOM 0 HG3 MET A 1 -11.063 12.796 17.944 1.00 1.00 H new ATOM 0 HE1 MET A 1 -14.396 12.441 19.747 1.00 1.00 H new ATOM 0 HE2 MET A 1 -13.427 11.226 18.878 1.00 1.00 H new ATOM 0 HE3 MET A 1 -12.620 12.477 19.854 1.00 1.00 H new ATOM 20 N LYS A 2 -8.278 14.346 14.087 1.00 1.00 N ATOM 21 CA LYS A 2 -7.759 15.184 13.004 1.00 1.00 C ATOM 22 C LYS A 2 -8.146 14.592 11.645 1.00 1.00 C ATOM 23 O LYS A 2 -8.532 15.325 10.735 1.00 1.00 O ATOM 24 CB LYS A 2 -6.213 15.312 13.137 1.00 1.00 C ATOM 25 CG LYS A 2 -5.569 13.927 13.434 1.00 1.00 C ATOM 26 CD LYS A 2 -4.029 13.998 13.307 1.00 1.00 C ATOM 27 CE LYS A 2 -3.420 14.990 14.319 1.00 1.00 C ATOM 28 NZ LYS A 2 -1.955 14.746 14.398 1.00 1.00 N ATOM 0 H LYS A 2 -7.558 13.912 14.665 1.00 1.00 H new ATOM 0 HA LYS A 2 -8.197 16.179 13.075 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -5.797 15.722 12.217 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -5.969 16.011 13.937 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -5.841 13.603 14.438 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -5.961 13.182 12.741 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -3.604 13.007 13.468 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -3.761 14.300 12.295 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -3.617 16.016 14.008 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -3.879 14.860 15.299 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -1.529 15.408 15.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -1.782 13.769 14.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -1.528 14.890 13.461 1.00 1.00 H new ATOM 42 N THR A 3 -8.038 13.274 11.515 1.00 1.00 N ATOM 43 CA THR A 3 -8.372 12.574 10.267 1.00 1.00 C ATOM 44 C THR A 3 -7.680 13.217 9.054 1.00 1.00 C ATOM 45 O THR A 3 -8.067 12.994 7.907 1.00 1.00 O ATOM 46 CB THR A 3 -9.904 12.569 10.065 1.00 1.00 C ATOM 47 OG1 THR A 3 -10.365 13.901 9.881 1.00 1.00 O ATOM 48 CG2 THR A 3 -10.598 11.962 11.298 1.00 1.00 C ATOM 0 H THR A 3 -7.719 12.659 12.263 1.00 1.00 H new ATOM 0 HA THR A 3 -8.011 11.549 10.348 1.00 1.00 H new ATOM 0 HB THR A 3 -10.141 11.970 9.186 1.00 1.00 H new ATOM 0 HG1 THR A 3 -9.597 14.506 9.811 1.00 1.00 H new ATOM 0 HG21 THR A 3 -11.677 11.963 11.145 1.00 1.00 H new ATOM 0 HG22 THR A 3 -10.253 10.938 11.442 1.00 1.00 H new ATOM 0 HG23 THR A 3 -10.356 12.554 12.180 1.00 1.00 H new ATOM 56 N LEU A 4 -6.660 14.025 9.321 1.00 1.00 N ATOM 57 CA LEU A 4 -5.906 14.710 8.260 1.00 1.00 C ATOM 58 C LEU A 4 -5.116 13.705 7.418 1.00 1.00 C ATOM 59 O LEU A 4 -4.805 12.593 7.847 1.00 1.00 O ATOM 60 CB LEU A 4 -4.928 15.787 8.879 1.00 1.00 C ATOM 61 CG LEU A 4 -5.433 17.251 8.668 1.00 1.00 C ATOM 62 CD1 LEU A 4 -6.746 17.495 9.436 1.00 1.00 C ATOM 63 CD2 LEU A 4 -4.353 18.251 9.141 1.00 1.00 C ATOM 0 H LEU A 4 -6.330 14.227 10.265 1.00 1.00 H new ATOM 0 HA LEU A 4 -6.621 15.217 7.613 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -4.813 15.597 9.946 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -3.942 15.678 8.428 1.00 1.00 H new ATOM 0 HG LEU A 4 -5.625 17.400 7.605 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -7.077 18.521 9.274 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -7.511 16.806 9.078 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -6.580 17.332 10.501 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -4.710 19.270 8.992 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -4.147 18.090 10.199 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.440 18.099 8.566 1.00 1.00 H new ATOM 75 N TYR A 5 -4.793 14.123 6.199 1.00 1.00 N ATOM 76 CA TYR A 5 -4.022 13.300 5.272 1.00 1.00 C ATOM 77 C TYR A 5 -2.656 12.977 5.877 1.00 1.00 C ATOM 78 O TYR A 5 -1.688 13.719 5.704 1.00 1.00 O ATOM 79 CB TYR A 5 -3.825 14.062 3.945 1.00 1.00 C ATOM 80 CG TYR A 5 -5.183 14.385 3.321 1.00 1.00 C ATOM 81 CD1 TYR A 5 -5.813 13.453 2.473 1.00 1.00 C ATOM 82 CD2 TYR A 5 -5.820 15.615 3.588 1.00 1.00 C ATOM 83 CE1 TYR A 5 -7.053 13.751 1.896 1.00 1.00 C ATOM 84 CE2 TYR A 5 -7.060 15.904 3.009 1.00 1.00 C ATOM 85 CZ TYR A 5 -7.677 14.972 2.165 1.00 1.00 C ATOM 86 OH TYR A 5 -8.900 15.262 1.596 1.00 1.00 O ATOM 0 H TYR A 5 -5.056 15.036 5.827 1.00 1.00 H new ATOM 0 HA TYR A 5 -4.563 12.372 5.085 1.00 1.00 H new ATOM 0 HB2 TYR A 5 -3.269 14.983 4.124 1.00 1.00 H new ATOM 0 HB3 TYR A 5 -3.232 13.461 3.255 1.00 1.00 H new ATOM 0 HD1 TYR A 5 -5.338 12.505 2.267 1.00 1.00 H new ATOM 0 HD2 TYR A 5 -5.349 16.335 4.241 1.00 1.00 H new ATOM 0 HE1 TYR A 5 -7.529 13.036 1.241 1.00 1.00 H new ATOM 0 HE2 TYR A 5 -7.543 16.848 3.213 1.00 1.00 H new ATOM 0 HH TYR A 5 -9.194 16.150 1.887 1.00 1.00 H new ATOM 96 N ASP A 6 -2.568 11.852 6.579 1.00 1.00 N ATOM 97 CA ASP A 6 -1.313 11.434 7.213 1.00 1.00 C ATOM 98 C ASP A 6 -0.372 10.837 6.181 1.00 1.00 C ATOM 99 O ASP A 6 0.760 10.478 6.502 1.00 1.00 O ATOM 100 CB ASP A 6 -1.606 10.418 8.334 1.00 1.00 C ATOM 101 CG ASP A 6 -0.321 10.077 9.102 1.00 1.00 C ATOM 102 OD1 ASP A 6 0.286 10.995 9.626 1.00 1.00 O ATOM 103 OD2 ASP A 6 0.030 8.911 9.150 1.00 1.00 O ATOM 0 H ASP A 6 -3.347 11.211 6.726 1.00 1.00 H new ATOM 0 HA ASP A 6 -0.828 12.307 7.650 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -2.348 10.828 9.019 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.033 9.510 7.907 1.00 1.00 H new ATOM 108 N LEU A 7 -0.840 10.728 4.941 1.00 1.00 N ATOM 109 CA LEU A 7 -0.027 10.174 3.857 1.00 1.00 C ATOM 110 C LEU A 7 0.486 8.764 4.227 1.00 1.00 C ATOM 111 O LEU A 7 1.690 8.517 4.175 1.00 1.00 O ATOM 112 CB LEU A 7 1.157 11.130 3.551 1.00 1.00 C ATOM 113 CG LEU A 7 0.657 12.594 3.376 1.00 1.00 C ATOM 114 CD1 LEU A 7 1.862 13.531 3.149 1.00 1.00 C ATOM 115 CD2 LEU A 7 -0.335 12.705 2.182 1.00 1.00 C ATOM 0 H LEU A 7 -1.777 11.015 4.659 1.00 1.00 H new ATOM 0 HA LEU A 7 -0.643 10.080 2.963 1.00 1.00 H new ATOM 0 HB2 LEU A 7 1.885 11.084 4.361 1.00 1.00 H new ATOM 0 HB3 LEU A 7 1.667 10.805 2.644 1.00 1.00 H new ATOM 0 HG LEU A 7 0.131 12.890 4.284 1.00 1.00 H new ATOM 0 HD11 LEU A 7 1.509 14.555 3.027 1.00 1.00 H new ATOM 0 HD12 LEU A 7 2.531 13.478 4.008 1.00 1.00 H new ATOM 0 HD13 LEU A 7 2.399 13.223 2.252 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -0.669 13.738 2.081 1.00 1.00 H new ATOM 0 HD22 LEU A 7 0.164 12.394 1.264 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -1.196 12.061 2.363 1.00 1.00 H new ATOM 127 N PRO A 8 -0.378 7.854 4.583 1.00 1.00 N ATOM 128 CA PRO A 8 0.031 6.461 4.955 1.00 1.00 C ATOM 129 C PRO A 8 0.589 5.702 3.752 1.00 1.00 C ATOM 130 O PRO A 8 1.798 5.648 3.529 1.00 1.00 O ATOM 131 CB PRO A 8 -1.290 5.835 5.509 1.00 1.00 C ATOM 132 CG PRO A 8 -2.389 6.590 4.808 1.00 1.00 C ATOM 133 CD PRO A 8 -1.860 8.031 4.690 1.00 1.00 C ATOM 0 HA PRO A 8 0.839 6.426 5.686 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -1.343 4.767 5.295 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.359 5.947 6.591 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.599 6.164 3.827 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -3.318 6.555 5.376 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -2.268 8.537 3.815 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -2.131 8.630 5.560 1.00 1.00 H new ATOM 141 N ILE A 9 -0.305 5.099 2.977 1.00 1.00 N ATOM 142 CA ILE A 9 0.085 4.326 1.798 1.00 1.00 C ATOM 143 C ILE A 9 0.318 5.262 0.611 1.00 1.00 C ATOM 144 O ILE A 9 -0.465 6.169 0.327 1.00 1.00 O ATOM 145 CB ILE A 9 -1.016 3.286 1.453 1.00 1.00 C ATOM 146 CG1 ILE A 9 -1.257 2.367 2.690 1.00 1.00 C ATOM 147 CG2 ILE A 9 -0.569 2.421 0.236 1.00 1.00 C ATOM 148 CD1 ILE A 9 -2.470 1.452 2.464 1.00 1.00 C ATOM 0 H ILE A 9 -1.311 5.130 3.143 1.00 1.00 H new ATOM 0 HA ILE A 9 1.012 3.796 2.014 1.00 1.00 H new ATOM 0 HB ILE A 9 -1.939 3.807 1.196 1.00 1.00 H new ATOM 0 HG12 ILE A 9 -0.370 1.762 2.877 1.00 1.00 H new ATOM 0 HG13 ILE A 9 -1.418 2.979 3.577 1.00 1.00 H new ATOM 0 HG21 ILE A 9 -1.347 1.694 0.001 1.00 1.00 H new ATOM 0 HG22 ILE A 9 -0.402 3.066 -0.627 1.00 1.00 H new ATOM 0 HG23 ILE A 9 0.355 1.897 0.482 1.00 1.00 H new ATOM 0 HD11 ILE A 9 -2.618 0.821 3.340 1.00 1.00 H new ATOM 0 HD12 ILE A 9 -3.359 2.061 2.301 1.00 1.00 H new ATOM 0 HD13 ILE A 9 -2.295 0.824 1.590 1.00 1.00 H new ATOM 160 N VAL A 10 1.403 5.007 -0.110 1.00 1.00 N ATOM 161 CA VAL A 10 1.752 5.811 -1.304 1.00 1.00 C ATOM 162 C VAL A 10 1.410 5.033 -2.565 1.00 1.00 C ATOM 163 O VAL A 10 1.662 3.834 -2.682 1.00 1.00 O ATOM 164 CB VAL A 10 3.259 6.175 -1.305 1.00 1.00 C ATOM 165 CG1 VAL A 10 3.565 7.184 -2.450 1.00 1.00 C ATOM 166 CG2 VAL A 10 3.629 6.802 0.056 1.00 1.00 C ATOM 0 H VAL A 10 2.062 4.257 0.099 1.00 1.00 H new ATOM 0 HA VAL A 10 1.175 6.735 -1.277 1.00 1.00 H new ATOM 0 HB VAL A 10 3.849 5.273 -1.467 1.00 1.00 H new ATOM 0 HG11 VAL A 10 4.626 7.433 -2.442 1.00 1.00 H new ATOM 0 HG12 VAL A 10 3.305 6.736 -3.409 1.00 1.00 H new ATOM 0 HG13 VAL A 10 2.978 8.091 -2.302 1.00 1.00 H new ATOM 0 HG21 VAL A 10 4.688 7.060 0.062 1.00 1.00 H new ATOM 0 HG22 VAL A 10 3.035 7.702 0.215 1.00 1.00 H new ATOM 0 HG23 VAL A 10 3.426 6.087 0.853 1.00 1.00 H new ATOM 176 N LEU A 11 0.835 5.728 -3.541 1.00 1.00 N ATOM 177 CA LEU A 11 0.463 5.094 -4.816 1.00 1.00 C ATOM 178 C LEU A 11 1.527 5.393 -5.870 1.00 1.00 C ATOM 179 O LEU A 11 1.760 6.539 -6.255 1.00 1.00 O ATOM 180 CB LEU A 11 -0.930 5.616 -5.298 1.00 1.00 C ATOM 181 CG LEU A 11 -1.674 4.537 -6.168 1.00 1.00 C ATOM 182 CD1 LEU A 11 -0.775 4.033 -7.341 1.00 1.00 C ATOM 183 CD2 LEU A 11 -2.129 3.313 -5.285 1.00 1.00 C ATOM 0 H LEU A 11 0.615 6.722 -3.482 1.00 1.00 H new ATOM 0 HA LEU A 11 0.397 4.016 -4.668 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -1.542 5.875 -4.434 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -0.798 6.528 -5.880 1.00 1.00 H new ATOM 0 HG LEU A 11 -2.557 5.017 -6.589 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -1.319 3.289 -7.922 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -0.511 4.873 -7.984 1.00 1.00 H new ATOM 0 HD13 LEU A 11 0.133 3.585 -6.937 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.641 2.582 -5.912 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -1.255 2.850 -4.827 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -2.807 3.659 -4.505 1.00 1.00 H new ATOM 195 N ARG A 12 2.170 4.337 -6.357 1.00 1.00 N ATOM 196 CA ARG A 12 3.198 4.457 -7.405 1.00 1.00 C ATOM 197 C ARG A 12 2.644 3.984 -8.751 1.00 1.00 C ATOM 198 O ARG A 12 1.721 3.173 -8.827 1.00 1.00 O ATOM 199 CB ARG A 12 4.424 3.611 -7.022 1.00 1.00 C ATOM 200 CG ARG A 12 5.632 3.972 -7.916 1.00 1.00 C ATOM 201 CD ARG A 12 6.862 3.169 -7.497 1.00 1.00 C ATOM 202 NE ARG A 12 8.010 3.619 -8.279 1.00 1.00 N ATOM 203 CZ ARG A 12 9.230 3.120 -8.095 1.00 1.00 C ATOM 204 NH1 ARG A 12 9.435 2.205 -7.188 1.00 1.00 N ATOM 205 NH2 ARG A 12 10.215 3.556 -8.819 1.00 1.00 N ATOM 0 H ARG A 12 2.002 3.380 -6.046 1.00 1.00 H new ATOM 0 HA ARG A 12 3.490 5.503 -7.495 1.00 1.00 H new ATOM 0 HB2 ARG A 12 4.676 3.779 -5.975 1.00 1.00 H new ATOM 0 HB3 ARG A 12 4.190 2.552 -7.128 1.00 1.00 H new ATOM 0 HG2 ARG A 12 5.394 3.767 -8.960 1.00 1.00 H new ATOM 0 HG3 ARG A 12 5.843 5.039 -7.840 1.00 1.00 H new ATOM 0 HD2 ARG A 12 7.055 3.303 -6.433 1.00 1.00 H new ATOM 0 HD3 ARG A 12 6.690 2.105 -7.658 1.00 1.00 H new ATOM 0 HE ARG A 12 7.873 4.339 -8.989 1.00 1.00 H new ATOM 0 HH11 ARG A 12 8.659 1.870 -6.617 1.00 1.00 H new ATOM 0 HH12 ARG A 12 10.371 1.825 -7.050 1.00 1.00 H new ATOM 0 HH21 ARG A 12 10.051 4.276 -9.523 1.00 1.00 H new ATOM 0 HH22 ARG A 12 11.153 3.179 -8.684 1.00 1.00 H new ATOM 219 N ASN A 13 3.223 4.505 -9.827 1.00 1.00 N ATOM 220 CA ASN A 13 2.813 4.134 -11.175 1.00 1.00 C ATOM 221 C ASN A 13 1.332 4.426 -11.378 1.00 1.00 C ATOM 222 O ASN A 13 0.582 3.609 -11.911 1.00 1.00 O ATOM 223 CB ASN A 13 3.097 2.645 -11.443 1.00 1.00 C ATOM 224 CG ASN A 13 4.558 2.317 -11.165 1.00 1.00 C ATOM 225 OD1 ASN A 13 5.453 2.893 -11.781 1.00 1.00 O ATOM 226 ND2 ASN A 13 4.855 1.422 -10.262 1.00 1.00 N ATOM 0 H ASN A 13 3.980 5.188 -9.791 1.00 1.00 H new ATOM 0 HA ASN A 13 3.392 4.729 -11.881 1.00 1.00 H new ATOM 0 HB2 ASN A 13 2.455 2.028 -10.814 1.00 1.00 H new ATOM 0 HB3 ASN A 13 2.856 2.404 -12.478 1.00 1.00 H new ATOM 0 HD21 ASN A 13 5.831 1.199 -10.066 1.00 1.00 H new ATOM 0 HD22 ASN A 13 4.111 0.945 -9.752 1.00 1.00 H new ATOM 233 N LEU A 14 0.913 5.614 -10.956 1.00 1.00 N ATOM 234 CA LEU A 14 -0.514 6.023 -11.117 1.00 1.00 C ATOM 235 C LEU A 14 -0.742 6.864 -12.410 1.00 1.00 C ATOM 236 O LEU A 14 -0.555 8.079 -12.349 1.00 1.00 O ATOM 237 CB LEU A 14 -0.955 6.883 -9.900 1.00 1.00 C ATOM 238 CG LEU A 14 -2.422 7.435 -10.040 1.00 1.00 C ATOM 239 CD1 LEU A 14 -3.430 6.308 -10.420 1.00 1.00 C ATOM 240 CD2 LEU A 14 -2.839 8.102 -8.712 1.00 1.00 C ATOM 0 H LEU A 14 1.510 6.309 -10.508 1.00 1.00 H new ATOM 0 HA LEU A 14 -1.102 5.108 -11.186 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -0.883 6.283 -8.993 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -0.267 7.720 -9.785 1.00 1.00 H new ATOM 0 HG LEU A 14 -2.440 8.168 -10.846 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -4.431 6.730 -10.507 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -3.139 5.865 -11.372 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -3.426 5.540 -9.646 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -3.855 8.487 -8.801 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -2.799 7.368 -7.908 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -2.158 8.923 -8.488 1.00 1.00 H new ATOM 252 N PRO A 15 -1.163 6.286 -13.502 1.00 1.00 N ATOM 253 CA PRO A 15 -1.426 7.098 -14.740 1.00 1.00 C ATOM 254 C PRO A 15 -2.458 8.216 -14.460 1.00 1.00 C ATOM 255 O PRO A 15 -3.566 7.962 -13.986 1.00 1.00 O ATOM 256 CB PRO A 15 -2.012 6.062 -15.745 1.00 1.00 C ATOM 257 CG PRO A 15 -1.462 4.750 -15.285 1.00 1.00 C ATOM 258 CD PRO A 15 -1.431 4.852 -13.754 1.00 1.00 C ATOM 0 HA PRO A 15 -0.530 7.596 -15.111 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.102 6.064 -15.729 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -1.708 6.284 -16.768 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.089 3.921 -15.613 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -0.465 4.575 -15.690 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -2.377 4.538 -13.313 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -0.654 4.218 -13.326 1.00 1.00 H new ATOM 266 N GLU A 16 -2.108 9.460 -14.774 1.00 1.00 N ATOM 267 CA GLU A 16 -2.999 10.607 -14.562 1.00 1.00 C ATOM 268 C GLU A 16 -4.418 10.321 -15.074 1.00 1.00 C ATOM 269 O GLU A 16 -5.406 10.535 -14.373 1.00 1.00 O ATOM 270 CB GLU A 16 -2.410 11.855 -15.282 1.00 1.00 C ATOM 271 CG GLU A 16 -2.191 11.570 -16.797 1.00 1.00 C ATOM 272 CD GLU A 16 -1.391 12.694 -17.454 1.00 1.00 C ATOM 273 OE1 GLU A 16 -0.175 12.636 -17.394 1.00 1.00 O ATOM 274 OE2 GLU A 16 -2.007 13.584 -18.014 1.00 1.00 O ATOM 0 H GLU A 16 -1.205 9.705 -15.180 1.00 1.00 H new ATOM 0 HA GLU A 16 -3.069 10.796 -13.491 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -3.085 12.702 -15.161 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -1.463 12.134 -14.820 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -1.665 10.624 -16.921 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -3.155 11.466 -17.295 1.00 1.00 H new ATOM 281 N ASP A 17 -4.514 9.834 -16.308 1.00 1.00 N ATOM 282 CA ASP A 17 -5.816 9.529 -16.938 1.00 1.00 C ATOM 283 C ASP A 17 -6.762 8.800 -15.978 1.00 1.00 C ATOM 284 O ASP A 17 -7.980 8.807 -16.149 1.00 1.00 O ATOM 285 CB ASP A 17 -5.584 8.671 -18.198 1.00 1.00 C ATOM 286 CG ASP A 17 -6.896 8.461 -18.965 1.00 1.00 C ATOM 287 OD1 ASP A 17 -7.391 9.426 -19.525 1.00 1.00 O ATOM 288 OD2 ASP A 17 -7.382 7.343 -18.978 1.00 1.00 O ATOM 0 H ASP A 17 -3.708 9.638 -16.902 1.00 1.00 H new ATOM 0 HA ASP A 17 -6.289 10.473 -17.207 1.00 1.00 H new ATOM 0 HB2 ASP A 17 -4.854 9.157 -18.845 1.00 1.00 H new ATOM 0 HB3 ASP A 17 -5.165 7.706 -17.914 1.00 1.00 H new ATOM 293 N LEU A 18 -6.194 8.180 -14.949 1.00 1.00 N ATOM 294 CA LEU A 18 -6.958 7.447 -13.937 1.00 1.00 C ATOM 295 C LEU A 18 -6.814 8.151 -12.594 1.00 1.00 C ATOM 296 O LEU A 18 -5.777 8.729 -12.270 1.00 1.00 O ATOM 297 CB LEU A 18 -6.436 5.988 -13.846 1.00 1.00 C ATOM 298 CG LEU A 18 -6.369 5.337 -15.264 1.00 1.00 C ATOM 299 CD1 LEU A 18 -5.846 3.879 -15.160 1.00 1.00 C ATOM 300 CD2 LEU A 18 -7.765 5.352 -15.962 1.00 1.00 C ATOM 0 H LEU A 18 -5.187 8.170 -14.790 1.00 1.00 H new ATOM 0 HA LEU A 18 -8.012 7.422 -14.213 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -5.447 5.978 -13.389 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -7.091 5.402 -13.202 1.00 1.00 H new ATOM 0 HG LEU A 18 -5.680 5.925 -15.870 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -5.804 3.436 -16.155 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -4.848 3.881 -14.721 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -6.518 3.295 -14.531 1.00 1.00 H new ATOM 0 HD21 LEU A 18 -7.684 4.892 -16.947 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -8.480 4.793 -15.358 1.00 1.00 H new ATOM 0 HD23 LEU A 18 -8.107 6.381 -16.069 1.00 1.00 H new ATOM 312 N VAL A 19 -7.870 8.100 -11.789 1.00 1.00 N ATOM 313 CA VAL A 19 -7.871 8.745 -10.459 1.00 1.00 C ATOM 314 C VAL A 19 -8.614 7.890 -9.444 1.00 1.00 C ATOM 315 O VAL A 19 -9.517 7.118 -9.764 1.00 1.00 O ATOM 316 CB VAL A 19 -8.517 10.153 -10.549 1.00 1.00 C ATOM 317 CG1 VAL A 19 -7.670 11.072 -11.467 1.00 1.00 C ATOM 318 CG2 VAL A 19 -9.959 10.039 -11.109 1.00 1.00 C ATOM 0 H VAL A 19 -8.740 7.622 -12.024 1.00 1.00 H new ATOM 0 HA VAL A 19 -6.838 8.849 -10.127 1.00 1.00 H new ATOM 0 HB VAL A 19 -8.554 10.587 -9.550 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -8.133 12.057 -11.523 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.664 11.166 -11.059 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -7.617 10.639 -12.466 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -10.406 11.032 -11.169 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -9.929 9.594 -12.103 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -10.557 9.411 -10.448 1.00 1.00 H new ATOM 328 N LEU A 20 -8.212 8.042 -8.185 1.00 1.00 N ATOM 329 CA LEU A 20 -8.807 7.300 -7.067 1.00 1.00 C ATOM 330 C LEU A 20 -9.993 8.087 -6.495 1.00 1.00 C ATOM 331 O LEU A 20 -9.850 9.243 -6.098 1.00 1.00 O ATOM 332 CB LEU A 20 -7.693 7.064 -5.966 1.00 1.00 C ATOM 333 CG LEU A 20 -7.315 5.549 -5.839 1.00 1.00 C ATOM 334 CD1 LEU A 20 -5.968 5.384 -5.101 1.00 1.00 C ATOM 335 CD2 LEU A 20 -8.423 4.786 -5.073 1.00 1.00 C ATOM 0 H LEU A 20 -7.467 8.680 -7.907 1.00 1.00 H new ATOM 0 HA LEU A 20 -9.180 6.334 -7.407 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -6.803 7.641 -6.219 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.049 7.432 -5.004 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.219 5.135 -6.843 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -5.723 4.325 -5.023 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.183 5.898 -5.657 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.046 5.813 -4.102 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.150 3.734 -4.991 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.535 5.211 -4.076 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -9.366 4.875 -5.613 1.00 1.00 H new ATOM 347 N GLU A 21 -11.162 7.459 -6.432 1.00 1.00 N ATOM 348 CA GLU A 21 -12.364 8.090 -5.899 1.00 1.00 C ATOM 349 C GLU A 21 -12.189 8.428 -4.422 1.00 1.00 C ATOM 350 O GLU A 21 -12.776 9.391 -3.926 1.00 1.00 O ATOM 351 CB GLU A 21 -13.580 7.144 -6.085 1.00 1.00 C ATOM 352 CG GLU A 21 -13.324 5.782 -5.397 1.00 1.00 C ATOM 353 CD GLU A 21 -14.530 4.858 -5.572 1.00 1.00 C ATOM 354 OE1 GLU A 21 -15.140 4.901 -6.622 1.00 1.00 O ATOM 355 OE2 GLU A 21 -14.826 4.125 -4.645 1.00 1.00 O ATOM 0 H GLU A 21 -11.303 6.500 -6.748 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.539 9.017 -6.445 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -14.474 7.606 -5.666 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -13.768 6.991 -7.148 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -12.436 5.315 -5.822 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -13.127 5.935 -4.336 1.00 1.00 H new ATOM 362 N LYS A 22 -11.401 7.633 -3.702 1.00 1.00 N ATOM 363 CA LYS A 22 -11.184 7.865 -2.262 1.00 1.00 C ATOM 364 C LYS A 22 -9.819 7.295 -1.787 1.00 1.00 C ATOM 365 O LYS A 22 -9.543 6.129 -2.073 1.00 1.00 O ATOM 366 CB LYS A 22 -12.325 7.199 -1.451 1.00 1.00 C ATOM 367 CG LYS A 22 -12.259 7.592 0.071 1.00 1.00 C ATOM 368 CD LYS A 22 -12.898 9.008 0.332 1.00 1.00 C ATOM 369 CE LYS A 22 -14.404 8.877 0.626 1.00 1.00 C ATOM 370 NZ LYS A 22 -14.991 10.238 0.743 1.00 1.00 N ATOM 0 H LYS A 22 -10.903 6.828 -4.081 1.00 1.00 H new ATOM 0 HA LYS A 22 -11.179 8.942 -2.095 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -13.288 7.499 -1.863 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -12.259 6.116 -1.551 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -12.781 6.841 0.664 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -11.221 7.594 0.402 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -12.398 9.489 1.173 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -12.746 9.647 -0.538 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -14.897 8.321 -0.171 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -14.561 8.318 1.548 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -16.009 10.161 0.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -14.525 10.752 1.518 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -14.850 10.755 -0.149 1.00 1.00 H new ATOM 384 N PRO A 23 -8.996 8.038 -1.099 1.00 1.00 N ATOM 385 CA PRO A 23 -7.663 7.523 -0.616 1.00 1.00 C ATOM 386 C PRO A 23 -7.778 6.194 0.143 1.00 1.00 C ATOM 387 O PRO A 23 -8.833 5.819 0.655 1.00 1.00 O ATOM 388 CB PRO A 23 -7.119 8.674 0.298 1.00 1.00 C ATOM 389 CG PRO A 23 -8.322 9.520 0.605 1.00 1.00 C ATOM 390 CD PRO A 23 -9.173 9.453 -0.656 1.00 1.00 C ATOM 0 HA PRO A 23 -6.994 7.293 -1.445 1.00 1.00 H new ATOM 0 HB2 PRO A 23 -6.671 8.278 1.209 1.00 1.00 H new ATOM 0 HB3 PRO A 23 -6.348 9.252 -0.211 1.00 1.00 H new ATOM 0 HG2 PRO A 23 -8.865 9.138 1.470 1.00 1.00 H new ATOM 0 HG3 PRO A 23 -8.036 10.546 0.836 1.00 1.00 H new ATOM 0 HD2 PRO A 23 -10.218 9.685 -0.452 1.00 1.00 H new ATOM 0 HD3 PRO A 23 -8.832 10.160 -1.413 1.00 1.00 H new ATOM 398 N LEU A 24 -6.657 5.483 0.215 1.00 1.00 N ATOM 399 CA LEU A 24 -6.616 4.176 0.892 1.00 1.00 C ATOM 400 C LEU A 24 -6.682 4.309 2.439 1.00 1.00 C ATOM 401 O LEU A 24 -6.041 5.202 2.992 1.00 1.00 O ATOM 402 CB LEU A 24 -5.339 3.406 0.490 1.00 1.00 C ATOM 403 CG LEU A 24 -5.206 3.344 -1.087 1.00 1.00 C ATOM 404 CD1 LEU A 24 -4.126 4.338 -1.586 1.00 1.00 C ATOM 405 CD2 LEU A 24 -4.844 1.910 -1.547 1.00 1.00 C ATOM 0 H LEU A 24 -5.766 5.781 -0.182 1.00 1.00 H new ATOM 0 HA LEU A 24 -7.498 3.622 0.571 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.463 3.894 0.916 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.372 2.396 0.899 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.169 3.623 -1.516 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -4.051 4.279 -2.672 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.403 5.352 -1.296 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.164 4.083 -1.142 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.757 1.887 -2.633 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.895 1.613 -1.101 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.625 1.219 -1.231 1.00 1.00 H new ATOM 417 N PRO A 25 -7.409 3.469 3.123 1.00 1.00 N ATOM 418 CA PRO A 25 -7.501 3.531 4.628 1.00 1.00 C ATOM 419 C PRO A 25 -6.256 2.939 5.304 1.00 1.00 C ATOM 420 O PRO A 25 -5.438 2.269 4.675 1.00 1.00 O ATOM 421 CB PRO A 25 -8.777 2.706 4.929 1.00 1.00 C ATOM 422 CG PRO A 25 -8.751 1.631 3.882 1.00 1.00 C ATOM 423 CD PRO A 25 -8.246 2.337 2.608 1.00 1.00 C ATOM 0 HA PRO A 25 -7.552 4.549 5.013 1.00 1.00 H new ATOM 0 HB2 PRO A 25 -8.757 2.287 5.935 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -9.677 3.317 4.856 1.00 1.00 H new ATOM 0 HG2 PRO A 25 -8.090 0.814 4.170 1.00 1.00 H new ATOM 0 HG3 PRO A 25 -9.741 1.202 3.731 1.00 1.00 H new ATOM 0 HD2 PRO A 25 -7.662 1.662 1.983 1.00 1.00 H new ATOM 0 HD3 PRO A 25 -9.074 2.699 1.998 1.00 1.00 H new ATOM 431 N GLU A 26 -6.135 3.183 6.604 1.00 1.00 N ATOM 432 CA GLU A 26 -5.000 2.679 7.391 1.00 1.00 C ATOM 433 C GLU A 26 -5.316 1.293 7.941 1.00 1.00 C ATOM 434 O GLU A 26 -6.468 0.936 8.179 1.00 1.00 O ATOM 435 CB GLU A 26 -4.674 3.659 8.550 1.00 1.00 C ATOM 436 CG GLU A 26 -5.910 3.879 9.447 1.00 1.00 C ATOM 437 CD GLU A 26 -5.574 4.845 10.583 1.00 1.00 C ATOM 438 OE1 GLU A 26 -4.462 4.780 11.082 1.00 1.00 O ATOM 439 OE2 GLU A 26 -6.436 5.629 10.938 1.00 1.00 O ATOM 0 H GLU A 26 -6.808 3.728 7.143 1.00 1.00 H new ATOM 0 HA GLU A 26 -4.127 2.606 6.742 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -3.852 3.263 9.147 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -4.341 4.613 8.142 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -6.733 4.277 8.853 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -6.245 2.926 9.857 1.00 1.00 H new ATOM 446 N VAL A 27 -4.270 0.499 8.145 1.00 1.00 N ATOM 447 CA VAL A 27 -4.412 -0.862 8.675 1.00 1.00 C ATOM 448 C VAL A 27 -3.173 -1.256 9.483 1.00 1.00 C ATOM 449 O VAL A 27 -2.049 -0.846 9.190 1.00 1.00 O ATOM 450 CB VAL A 27 -4.653 -1.844 7.499 1.00 1.00 C ATOM 451 CG1 VAL A 27 -3.454 -1.832 6.522 1.00 1.00 C ATOM 452 CG2 VAL A 27 -4.888 -3.279 8.033 1.00 1.00 C ATOM 0 H VAL A 27 -3.307 0.773 7.951 1.00 1.00 H new ATOM 0 HA VAL A 27 -5.268 -0.904 9.349 1.00 1.00 H new ATOM 0 HB VAL A 27 -5.543 -1.518 6.961 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -3.644 -2.528 5.705 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -3.322 -0.827 6.120 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -2.550 -2.132 7.052 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -5.056 -3.956 7.195 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -4.013 -3.606 8.595 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -5.761 -3.286 8.685 1.00 1.00 H new ATOM 462 N SER A 28 -3.374 -2.069 10.514 1.00 1.00 N ATOM 463 CA SER A 28 -2.275 -2.531 11.377 1.00 1.00 C ATOM 464 C SER A 28 -1.655 -3.811 10.815 1.00 1.00 C ATOM 465 O SER A 28 -2.242 -4.523 10.001 1.00 1.00 O ATOM 466 CB SER A 28 -2.803 -2.780 12.797 1.00 1.00 C ATOM 467 OG SER A 28 -1.728 -3.225 13.610 1.00 1.00 O ATOM 0 H SER A 28 -4.291 -2.428 10.780 1.00 1.00 H new ATOM 0 HA SER A 28 -1.505 -1.761 11.410 1.00 1.00 H new ATOM 0 HB2 SER A 28 -3.233 -1.866 13.206 1.00 1.00 H new ATOM 0 HB3 SER A 28 -3.598 -3.526 12.779 1.00 1.00 H new ATOM 0 HG SER A 28 -2.052 -3.386 14.521 1.00 1.00 H new ATOM 473 N VAL A 29 -0.441 -4.108 11.266 1.00 1.00 N ATOM 474 CA VAL A 29 0.296 -5.321 10.815 1.00 1.00 C ATOM 475 C VAL A 29 0.883 -6.062 12.010 1.00 1.00 C ATOM 476 O VAL A 29 1.064 -5.471 13.075 1.00 1.00 O ATOM 477 CB VAL A 29 1.420 -4.903 9.810 1.00 1.00 C ATOM 478 CG1 VAL A 29 0.829 -3.950 8.740 1.00 1.00 C ATOM 479 CG2 VAL A 29 2.586 -4.166 10.532 1.00 1.00 C ATOM 0 H VAL A 29 0.067 -3.538 11.942 1.00 1.00 H new ATOM 0 HA VAL A 29 -0.395 -5.996 10.310 1.00 1.00 H new ATOM 0 HB VAL A 29 1.808 -5.812 9.350 1.00 1.00 H new ATOM 0 HG11 VAL A 29 1.612 -3.659 8.040 1.00 1.00 H new ATOM 0 HG12 VAL A 29 0.031 -4.459 8.200 1.00 1.00 H new ATOM 0 HG13 VAL A 29 0.428 -3.061 9.226 1.00 1.00 H new ATOM 0 HG21 VAL A 29 3.349 -3.890 9.804 1.00 1.00 H new ATOM 0 HG22 VAL A 29 2.204 -3.267 11.015 1.00 1.00 H new ATOM 0 HG23 VAL A 29 3.023 -4.824 11.283 1.00 1.00 H new ATOM 489 N THR A 30 1.208 -7.343 11.867 1.00 1.00 N ATOM 490 CA THR A 30 1.807 -8.111 12.977 1.00 1.00 C ATOM 491 C THR A 30 3.205 -8.595 12.588 1.00 1.00 C ATOM 492 O THR A 30 3.381 -9.309 11.603 1.00 1.00 O ATOM 493 CB THR A 30 0.902 -9.317 13.326 1.00 1.00 C ATOM 494 OG1 THR A 30 -0.441 -8.860 13.445 1.00 1.00 O ATOM 495 CG2 THR A 30 1.331 -9.928 14.682 1.00 1.00 C ATOM 0 H THR A 30 1.073 -7.875 11.007 1.00 1.00 H new ATOM 0 HA THR A 30 1.893 -7.466 13.852 1.00 1.00 H new ATOM 0 HB THR A 30 0.989 -10.070 12.543 1.00 1.00 H new ATOM 0 HG1 THR A 30 -1.025 -9.615 13.664 1.00 1.00 H new ATOM 0 HG21 THR A 30 0.688 -10.776 14.919 1.00 1.00 H new ATOM 0 HG22 THR A 30 2.366 -10.264 14.619 1.00 1.00 H new ATOM 0 HG23 THR A 30 1.241 -9.175 15.465 1.00 1.00 H new ATOM 503 N ILE A 31 4.209 -8.221 13.375 1.00 1.00 N ATOM 504 CA ILE A 31 5.603 -8.626 13.140 1.00 1.00 C ATOM 505 C ILE A 31 6.152 -9.354 14.370 1.00 1.00 C ATOM 506 O ILE A 31 5.670 -9.201 15.493 1.00 1.00 O ATOM 507 CB ILE A 31 6.453 -7.374 12.804 1.00 1.00 C ATOM 508 CG1 ILE A 31 5.915 -6.704 11.494 1.00 1.00 C ATOM 509 CG2 ILE A 31 7.947 -7.743 12.631 1.00 1.00 C ATOM 510 CD1 ILE A 31 5.992 -7.622 10.243 1.00 1.00 C ATOM 0 H ILE A 31 4.086 -7.628 14.196 1.00 1.00 H new ATOM 0 HA ILE A 31 5.649 -9.314 12.295 1.00 1.00 H new ATOM 0 HB ILE A 31 6.370 -6.672 13.634 1.00 1.00 H new ATOM 0 HG12 ILE A 31 4.879 -6.404 11.650 1.00 1.00 H new ATOM 0 HG13 ILE A 31 6.485 -5.795 11.302 1.00 1.00 H new ATOM 0 HG21 ILE A 31 8.519 -6.845 12.396 1.00 1.00 H new ATOM 0 HG22 ILE A 31 8.323 -8.181 13.556 1.00 1.00 H new ATOM 0 HG23 ILE A 31 8.052 -8.463 11.819 1.00 1.00 H new ATOM 0 HD11 ILE A 31 5.602 -7.089 9.376 1.00 1.00 H new ATOM 0 HD12 ILE A 31 7.030 -7.902 10.060 1.00 1.00 H new ATOM 0 HD13 ILE A 31 5.399 -8.520 10.414 1.00 1.00 H new ATOM 522 N ARG A 32 7.181 -10.165 14.147 1.00 1.00 N ATOM 523 CA ARG A 32 7.846 -10.928 15.213 1.00 1.00 C ATOM 524 C ARG A 32 9.360 -10.707 15.132 1.00 1.00 C ATOM 525 O ARG A 32 10.040 -11.145 14.206 1.00 1.00 O ATOM 526 CB ARG A 32 7.542 -12.426 15.017 1.00 1.00 C ATOM 527 CG ARG A 32 6.048 -12.700 15.273 1.00 1.00 C ATOM 528 CD ARG A 32 5.730 -14.185 15.034 1.00 1.00 C ATOM 529 NE ARG A 32 4.310 -14.429 15.302 1.00 1.00 N ATOM 530 CZ ARG A 32 3.809 -14.438 16.545 1.00 1.00 C ATOM 531 NH1 ARG A 32 4.594 -14.266 17.577 1.00 1.00 N ATOM 532 NH2 ARG A 32 2.535 -14.624 16.727 1.00 1.00 N ATOM 0 H ARG A 32 7.583 -10.316 13.222 1.00 1.00 H new ATOM 0 HA ARG A 32 7.482 -10.596 16.186 1.00 1.00 H new ATOM 0 HB2 ARG A 32 7.807 -12.730 14.004 1.00 1.00 H new ATOM 0 HB3 ARG A 32 8.151 -13.021 15.698 1.00 1.00 H new ATOM 0 HG2 ARG A 32 5.791 -12.426 16.296 1.00 1.00 H new ATOM 0 HG3 ARG A 32 5.439 -12.080 14.615 1.00 1.00 H new ATOM 0 HD2 ARG A 32 5.970 -14.459 14.006 1.00 1.00 H new ATOM 0 HD3 ARG A 32 6.346 -14.809 15.682 1.00 1.00 H new ATOM 0 HE ARG A 32 3.682 -14.598 14.516 1.00 1.00 H new ATOM 0 HH11 ARG A 32 5.595 -14.124 17.439 1.00 1.00 H new ATOM 0 HH12 ARG A 32 4.206 -14.274 18.520 1.00 1.00 H new ATOM 0 HH21 ARG A 32 1.920 -14.763 15.925 1.00 1.00 H new ATOM 0 HH22 ARG A 32 2.151 -14.631 17.672 1.00 1.00 H new ATOM 546 N ALA A 33 9.893 -10.032 16.147 1.00 1.00 N ATOM 547 CA ALA A 33 11.327 -9.758 16.208 1.00 1.00 C ATOM 548 C ALA A 33 11.708 -9.259 17.592 1.00 1.00 C ATOM 549 O ALA A 33 10.857 -9.061 18.460 1.00 1.00 O ATOM 550 CB ALA A 33 11.717 -8.747 15.112 1.00 1.00 C ATOM 0 H ALA A 33 9.358 -9.666 16.934 1.00 1.00 H new ATOM 0 HA ALA A 33 11.880 -10.680 16.025 1.00 1.00 H new ATOM 0 HB1 ALA A 33 12.787 -8.548 15.165 1.00 1.00 H new ATOM 0 HB2 ALA A 33 11.472 -9.159 14.133 1.00 1.00 H new ATOM 0 HB3 ALA A 33 11.168 -7.818 15.262 1.00 1.00 H new ATOM 556 N TYR A 34 13.000 -9.031 17.791 1.00 1.00 N ATOM 557 CA TYR A 34 13.511 -8.563 19.087 1.00 1.00 C ATOM 558 C TYR A 34 13.072 -7.102 19.371 1.00 1.00 C ATOM 559 O TYR A 34 12.914 -6.349 18.410 1.00 1.00 O ATOM 560 CB TYR A 34 15.044 -8.657 19.075 1.00 1.00 C ATOM 561 CG TYR A 34 15.486 -10.115 18.980 1.00 1.00 C ATOM 562 CD1 TYR A 34 15.646 -10.876 20.154 1.00 1.00 C ATOM 563 CD2 TYR A 34 15.725 -10.713 17.727 1.00 1.00 C ATOM 564 CE1 TYR A 34 16.045 -12.207 20.075 1.00 1.00 C ATOM 565 CE2 TYR A 34 16.123 -12.050 17.658 1.00 1.00 C ATOM 566 CZ TYR A 34 16.281 -12.795 18.830 1.00 1.00 C ATOM 567 OH TYR A 34 16.668 -14.113 18.756 1.00 1.00 O ATOM 0 H TYR A 34 13.717 -9.160 17.077 1.00 1.00 H new ATOM 0 HA TYR A 34 13.100 -9.191 19.877 1.00 1.00 H new ATOM 0 HB2 TYR A 34 15.443 -8.094 18.231 1.00 1.00 H new ATOM 0 HB3 TYR A 34 15.450 -8.205 19.980 1.00 1.00 H new ATOM 0 HD1 TYR A 34 15.459 -10.426 21.118 1.00 1.00 H new ATOM 0 HD2 TYR A 34 15.601 -10.138 16.821 1.00 1.00 H new ATOM 0 HE1 TYR A 34 16.172 -12.786 20.978 1.00 1.00 H new ATOM 0 HE2 TYR A 34 16.309 -12.509 16.698 1.00 1.00 H new ATOM 0 HH TYR A 34 16.789 -14.366 17.817 1.00 1.00 H new ATOM 577 N PRO A 35 12.885 -6.695 20.596 1.00 1.00 N ATOM 578 CA PRO A 35 12.480 -5.280 20.903 1.00 1.00 C ATOM 579 C PRO A 35 13.628 -4.275 20.662 1.00 1.00 C ATOM 580 O PRO A 35 13.386 -3.081 20.476 1.00 1.00 O ATOM 581 CB PRO A 35 12.026 -5.333 22.390 1.00 1.00 C ATOM 582 CG PRO A 35 12.787 -6.485 22.994 1.00 1.00 C ATOM 583 CD PRO A 35 13.021 -7.496 21.847 1.00 1.00 C ATOM 0 HA PRO A 35 11.686 -4.923 20.247 1.00 1.00 H new ATOM 0 HB2 PRO A 35 12.252 -4.399 22.904 1.00 1.00 H new ATOM 0 HB3 PRO A 35 10.950 -5.488 22.468 1.00 1.00 H new ATOM 0 HG2 PRO A 35 13.734 -6.148 23.415 1.00 1.00 H new ATOM 0 HG3 PRO A 35 12.222 -6.942 23.806 1.00 1.00 H new ATOM 0 HD2 PRO A 35 14.008 -7.953 21.918 1.00 1.00 H new ATOM 0 HD3 PRO A 35 12.292 -8.306 21.879 1.00 1.00 H new ATOM 591 N GLU A 36 14.865 -4.761 20.693 1.00 1.00 N ATOM 592 CA GLU A 36 16.039 -3.884 20.507 1.00 1.00 C ATOM 593 C GLU A 36 16.006 -3.212 19.127 1.00 1.00 C ATOM 594 O GLU A 36 16.313 -2.028 18.982 1.00 1.00 O ATOM 595 CB GLU A 36 17.333 -4.719 20.681 1.00 1.00 C ATOM 596 CG GLU A 36 17.461 -5.772 19.545 1.00 1.00 C ATOM 597 CD GLU A 36 18.505 -6.836 19.888 1.00 1.00 C ATOM 598 OE1 GLU A 36 19.666 -6.611 19.592 1.00 1.00 O ATOM 599 OE2 GLU A 36 18.121 -7.862 20.423 1.00 1.00 O ATOM 0 H GLU A 36 15.090 -5.745 20.843 1.00 1.00 H new ATOM 0 HA GLU A 36 16.018 -3.094 21.258 1.00 1.00 H new ATOM 0 HB2 GLU A 36 18.201 -4.060 20.673 1.00 1.00 H new ATOM 0 HB3 GLU A 36 17.322 -5.220 21.649 1.00 1.00 H new ATOM 0 HG2 GLU A 36 16.495 -6.248 19.377 1.00 1.00 H new ATOM 0 HG3 GLU A 36 17.737 -5.275 18.615 1.00 1.00 H new ATOM 606 N ILE A 37 15.631 -3.973 18.107 1.00 1.00 N ATOM 607 CA ILE A 37 15.559 -3.438 16.721 1.00 1.00 C ATOM 608 C ILE A 37 14.212 -2.751 16.509 1.00 1.00 C ATOM 609 O ILE A 37 14.144 -1.700 15.870 1.00 1.00 O ATOM 610 CB ILE A 37 15.794 -4.576 15.643 1.00 1.00 C ATOM 611 CG1 ILE A 37 15.259 -5.923 16.187 1.00 1.00 C ATOM 612 CG2 ILE A 37 17.309 -4.709 15.322 1.00 1.00 C ATOM 613 CD1 ILE A 37 15.250 -7.029 15.115 1.00 1.00 C ATOM 0 H ILE A 37 15.371 -4.955 18.194 1.00 1.00 H new ATOM 0 HA ILE A 37 16.357 -2.707 16.590 1.00 1.00 H new ATOM 0 HB ILE A 37 15.261 -4.313 14.729 1.00 1.00 H new ATOM 0 HG12 ILE A 37 15.874 -6.242 17.028 1.00 1.00 H new ATOM 0 HG13 ILE A 37 14.247 -5.782 16.567 1.00 1.00 H new ATOM 0 HG21 ILE A 37 17.456 -5.494 14.580 1.00 1.00 H new ATOM 0 HG22 ILE A 37 17.682 -3.763 14.928 1.00 1.00 H new ATOM 0 HG23 ILE A 37 17.853 -4.963 16.232 1.00 1.00 H new ATOM 0 HD11 ILE A 37 14.866 -7.953 15.548 1.00 1.00 H new ATOM 0 HD12 ILE A 37 14.613 -6.725 14.284 1.00 1.00 H new ATOM 0 HD13 ILE A 37 16.265 -7.193 14.753 1.00 1.00 H new ATOM 625 N LEU A 38 13.140 -3.330 17.039 1.00 1.00 N ATOM 626 CA LEU A 38 11.795 -2.742 16.891 1.00 1.00 C ATOM 627 C LEU A 38 11.750 -1.378 17.589 1.00 1.00 C ATOM 628 O LEU A 38 11.147 -0.427 17.089 1.00 1.00 O ATOM 629 CB LEU A 38 10.736 -3.693 17.492 1.00 1.00 C ATOM 630 CG LEU A 38 10.634 -5.039 16.695 1.00 1.00 C ATOM 631 CD1 LEU A 38 9.845 -6.079 17.535 1.00 1.00 C ATOM 632 CD2 LEU A 38 9.910 -4.830 15.333 1.00 1.00 C ATOM 0 H LEU A 38 13.165 -4.199 17.572 1.00 1.00 H new ATOM 0 HA LEU A 38 11.574 -2.603 15.833 1.00 1.00 H new ATOM 0 HB2 LEU A 38 10.988 -3.905 18.531 1.00 1.00 H new ATOM 0 HB3 LEU A 38 9.765 -3.199 17.494 1.00 1.00 H new ATOM 0 HG LEU A 38 11.645 -5.398 16.501 1.00 1.00 H new ATOM 0 HD11 LEU A 38 9.774 -7.015 16.981 1.00 1.00 H new ATOM 0 HD12 LEU A 38 10.363 -6.254 18.478 1.00 1.00 H new ATOM 0 HD13 LEU A 38 8.843 -5.699 17.736 1.00 1.00 H new ATOM 0 HD21 LEU A 38 9.853 -5.780 14.801 1.00 1.00 H new ATOM 0 HD22 LEU A 38 8.903 -4.453 15.510 1.00 1.00 H new ATOM 0 HD23 LEU A 38 10.466 -4.111 14.732 1.00 1.00 H new ATOM 644 N ASN A 39 12.407 -1.282 18.741 1.00 1.00 N ATOM 645 CA ASN A 39 12.461 -0.037 19.509 1.00 1.00 C ATOM 646 C ASN A 39 13.376 0.966 18.815 1.00 1.00 C ATOM 647 O ASN A 39 13.388 2.154 19.138 1.00 1.00 O ATOM 648 CB ASN A 39 12.982 -0.331 20.931 1.00 1.00 C ATOM 649 CG ASN A 39 12.975 0.942 21.773 1.00 1.00 C ATOM 650 OD1 ASN A 39 13.920 1.725 21.723 1.00 1.00 O ATOM 651 ND2 ASN A 39 11.952 1.192 22.535 1.00 1.00 N ATOM 0 H ASN A 39 12.914 -2.057 19.168 1.00 1.00 H new ATOM 0 HA ASN A 39 11.460 0.389 19.574 1.00 1.00 H new ATOM 0 HB2 ASN A 39 12.360 -1.091 21.404 1.00 1.00 H new ATOM 0 HB3 ASN A 39 13.993 -0.735 20.879 1.00 1.00 H new ATOM 0 HD21 ASN A 39 11.930 2.043 23.097 1.00 1.00 H new ATOM 0 HD22 ASN A 39 11.171 0.537 22.571 1.00 1.00 H new ATOM 658 N ASN A 40 14.148 0.485 17.845 1.00 1.00 N ATOM 659 CA ASN A 40 15.084 1.337 17.086 1.00 1.00 C ATOM 660 C ASN A 40 14.531 1.634 15.701 1.00 1.00 C ATOM 661 O ASN A 40 14.871 2.647 15.089 1.00 1.00 O ATOM 662 CB ASN A 40 16.449 0.616 16.953 1.00 1.00 C ATOM 663 CG ASN A 40 17.485 1.528 16.292 1.00 1.00 C ATOM 664 OD1 ASN A 40 17.832 1.334 15.127 1.00 1.00 O ATOM 665 ND2 ASN A 40 17.993 2.514 16.974 1.00 1.00 N ATOM 0 H ASN A 40 14.150 -0.494 17.558 1.00 1.00 H new ATOM 0 HA ASN A 40 15.214 2.278 17.621 1.00 1.00 H new ATOM 0 HB2 ASN A 40 16.802 0.312 17.938 1.00 1.00 H new ATOM 0 HB3 ASN A 40 16.329 -0.293 16.363 1.00 1.00 H new ATOM 0 HD21 ASN A 40 18.682 3.130 16.543 1.00 1.00 H new ATOM 0 HD22 ASN A 40 17.702 2.670 17.939 1.00 1.00 H new ATOM 672 N LEU A 41 13.690 0.741 15.191 1.00 1.00 N ATOM 673 CA LEU A 41 13.109 0.879 13.856 1.00 1.00 C ATOM 674 C LEU A 41 12.158 2.070 13.836 1.00 1.00 C ATOM 675 O LEU A 41 11.403 2.313 14.778 1.00 1.00 O ATOM 676 CB LEU A 41 12.361 -0.453 13.438 1.00 1.00 C ATOM 677 CG LEU A 41 12.718 -0.930 11.989 1.00 1.00 C ATOM 678 CD1 LEU A 41 12.445 0.191 10.968 1.00 1.00 C ATOM 679 CD2 LEU A 41 14.204 -1.406 11.884 1.00 1.00 C ATOM 0 H LEU A 41 13.391 -0.098 15.688 1.00 1.00 H new ATOM 0 HA LEU A 41 13.905 1.054 13.132 1.00 1.00 H new ATOM 0 HB2 LEU A 41 12.614 -1.242 14.146 1.00 1.00 H new ATOM 0 HB3 LEU A 41 11.285 -0.295 13.507 1.00 1.00 H new ATOM 0 HG LEU A 41 12.079 -1.783 11.760 1.00 1.00 H new ATOM 0 HD11 LEU A 41 12.699 -0.159 9.967 1.00 1.00 H new ATOM 0 HD12 LEU A 41 11.390 0.464 11.000 1.00 1.00 H new ATOM 0 HD13 LEU A 41 13.053 1.062 11.213 1.00 1.00 H new ATOM 0 HD21 LEU A 41 14.411 -1.729 10.864 1.00 1.00 H new ATOM 0 HD22 LEU A 41 14.869 -0.583 12.147 1.00 1.00 H new ATOM 0 HD23 LEU A 41 14.369 -2.238 12.568 1.00 1.00 H new ATOM 691 N THR A 42 12.191 2.835 12.749 1.00 1.00 N ATOM 692 CA THR A 42 11.315 4.004 12.583 1.00 1.00 C ATOM 693 C THR A 42 10.447 3.830 11.334 1.00 1.00 C ATOM 694 O THR A 42 10.850 3.238 10.333 1.00 1.00 O ATOM 695 CB THR A 42 12.161 5.284 12.464 1.00 1.00 C ATOM 696 OG1 THR A 42 11.312 6.371 12.136 1.00 1.00 O ATOM 697 CG2 THR A 42 13.231 5.131 11.374 1.00 1.00 C ATOM 0 H THR A 42 12.818 2.669 11.961 1.00 1.00 H new ATOM 0 HA THR A 42 10.668 4.090 13.456 1.00 1.00 H new ATOM 0 HB THR A 42 12.659 5.466 13.417 1.00 1.00 H new ATOM 0 HG1 THR A 42 11.844 7.190 12.060 1.00 1.00 H new ATOM 0 HG21 THR A 42 13.817 6.048 11.308 1.00 1.00 H new ATOM 0 HG22 THR A 42 13.888 4.298 11.624 1.00 1.00 H new ATOM 0 HG23 THR A 42 12.749 4.938 10.415 1.00 1.00 H new ATOM 705 N LYS A 43 9.230 4.354 11.406 1.00 1.00 N ATOM 706 CA LYS A 43 8.278 4.244 10.291 1.00 1.00 C ATOM 707 C LYS A 43 8.884 4.758 8.975 1.00 1.00 C ATOM 708 O LYS A 43 8.643 4.204 7.903 1.00 1.00 O ATOM 709 CB LYS A 43 7.025 5.065 10.615 1.00 1.00 C ATOM 710 CG LYS A 43 6.320 4.507 11.881 1.00 1.00 C ATOM 711 CD LYS A 43 5.190 5.464 12.346 1.00 1.00 C ATOM 712 CE LYS A 43 4.000 5.471 11.360 1.00 1.00 C ATOM 713 NZ LYS A 43 3.498 4.080 11.191 1.00 1.00 N ATOM 0 H LYS A 43 8.873 4.858 12.218 1.00 1.00 H new ATOM 0 HA LYS A 43 8.028 3.191 10.164 1.00 1.00 H new ATOM 0 HB2 LYS A 43 7.298 6.108 10.774 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.338 5.040 9.769 1.00 1.00 H new ATOM 0 HG2 LYS A 43 5.905 3.522 11.668 1.00 1.00 H new ATOM 0 HG3 LYS A 43 7.048 4.379 12.682 1.00 1.00 H new ATOM 0 HD2 LYS A 43 4.842 5.162 13.334 1.00 1.00 H new ATOM 0 HD3 LYS A 43 5.587 6.474 12.443 1.00 1.00 H new ATOM 0 HE2 LYS A 43 3.205 6.115 11.736 1.00 1.00 H new ATOM 0 HE3 LYS A 43 4.311 5.878 10.398 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 2.458 4.084 11.189 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 3.844 3.693 10.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 3.840 3.490 11.976 1.00 1.00 H new ATOM 727 N GLU A 44 9.672 5.826 9.052 1.00 1.00 N ATOM 728 CA GLU A 44 10.293 6.436 7.873 1.00 1.00 C ATOM 729 C GLU A 44 11.166 5.428 7.129 1.00 1.00 C ATOM 730 O GLU A 44 11.456 5.589 5.945 1.00 1.00 O ATOM 731 CB GLU A 44 11.141 7.650 8.309 1.00 1.00 C ATOM 732 CG GLU A 44 10.262 8.695 9.041 1.00 1.00 C ATOM 733 CD GLU A 44 9.204 9.285 8.104 1.00 1.00 C ATOM 734 OE1 GLU A 44 9.491 9.419 6.924 1.00 1.00 O ATOM 735 OE2 GLU A 44 8.123 9.584 8.581 1.00 1.00 O ATOM 0 H GLU A 44 9.900 6.294 9.929 1.00 1.00 H new ATOM 0 HA GLU A 44 9.505 6.764 7.195 1.00 1.00 H new ATOM 0 HB2 GLU A 44 11.947 7.321 8.965 1.00 1.00 H new ATOM 0 HB3 GLU A 44 11.608 8.107 7.436 1.00 1.00 H new ATOM 0 HG2 GLU A 44 9.774 8.228 9.896 1.00 1.00 H new ATOM 0 HG3 GLU A 44 10.892 9.494 9.431 1.00 1.00 H new ATOM 742 N GLN A 45 11.585 4.373 7.821 1.00 1.00 N ATOM 743 CA GLN A 45 12.434 3.337 7.217 1.00 1.00 C ATOM 744 C GLN A 45 11.593 2.321 6.455 1.00 1.00 C ATOM 745 O GLN A 45 12.038 1.772 5.446 1.00 1.00 O ATOM 746 CB GLN A 45 13.246 2.628 8.319 1.00 1.00 C ATOM 747 CG GLN A 45 14.280 1.647 7.712 1.00 1.00 C ATOM 748 CD GLN A 45 15.137 1.031 8.817 1.00 1.00 C ATOM 749 OE1 GLN A 45 16.045 1.678 9.330 1.00 1.00 O ATOM 750 NE2 GLN A 45 14.891 -0.180 9.220 1.00 1.00 N ATOM 0 H GLN A 45 11.354 4.208 8.801 1.00 1.00 H new ATOM 0 HA GLN A 45 13.115 3.813 6.511 1.00 1.00 H new ATOM 0 HB2 GLN A 45 13.760 3.370 8.930 1.00 1.00 H new ATOM 0 HB3 GLN A 45 12.570 2.085 8.980 1.00 1.00 H new ATOM 0 HG2 GLN A 45 13.765 0.860 7.160 1.00 1.00 H new ATOM 0 HG3 GLN A 45 14.916 2.173 6.999 1.00 1.00 H new ATOM 0 HE21 GLN A 45 14.136 -0.716 8.793 1.00 1.00 H new ATOM 0 HE22 GLN A 45 15.453 -0.594 9.964 1.00 1.00 H new ATOM 759 N ILE A 46 10.384 2.053 6.937 1.00 1.00 N ATOM 760 CA ILE A 46 9.498 1.068 6.307 1.00 1.00 C ATOM 761 C ILE A 46 8.992 1.591 4.960 1.00 1.00 C ATOM 762 O ILE A 46 8.462 2.695 4.846 1.00 1.00 O ATOM 763 CB ILE A 46 8.297 0.744 7.253 1.00 1.00 C ATOM 764 CG1 ILE A 46 8.800 0.508 8.709 1.00 1.00 C ATOM 765 CG2 ILE A 46 7.548 -0.518 6.755 1.00 1.00 C ATOM 766 CD1 ILE A 46 9.887 -0.577 8.779 1.00 1.00 C ATOM 0 H ILE A 46 9.990 2.503 7.764 1.00 1.00 H new ATOM 0 HA ILE A 46 10.061 0.152 6.131 1.00 1.00 H new ATOM 0 HB ILE A 46 7.615 1.594 7.244 1.00 1.00 H new ATOM 0 HG12 ILE A 46 9.194 1.441 9.111 1.00 1.00 H new ATOM 0 HG13 ILE A 46 7.959 0.219 9.340 1.00 1.00 H new ATOM 0 HG21 ILE A 46 6.714 -0.733 7.423 1.00 1.00 H new ATOM 0 HG22 ILE A 46 7.171 -0.343 5.747 1.00 1.00 H new ATOM 0 HG23 ILE A 46 8.232 -1.367 6.744 1.00 1.00 H new ATOM 0 HD11 ILE A 46 10.206 -0.706 9.813 1.00 1.00 H new ATOM 0 HD12 ILE A 46 9.486 -1.518 8.403 1.00 1.00 H new ATOM 0 HD13 ILE A 46 10.740 -0.277 8.171 1.00 1.00 H new ATOM 778 N SER A 47 9.156 0.776 3.922 1.00 1.00 N ATOM 779 CA SER A 47 8.724 1.136 2.562 1.00 1.00 C ATOM 780 C SER A 47 7.382 0.476 2.265 1.00 1.00 C ATOM 781 O SER A 47 7.273 -0.748 2.213 1.00 1.00 O ATOM 782 CB SER A 47 9.783 0.658 1.561 1.00 1.00 C ATOM 783 OG SER A 47 11.033 1.248 1.894 1.00 1.00 O ATOM 0 H SER A 47 9.587 -0.146 3.991 1.00 1.00 H new ATOM 0 HA SER A 47 8.610 2.217 2.478 1.00 1.00 H new ATOM 0 HB2 SER A 47 9.861 -0.429 1.586 1.00 1.00 H new ATOM 0 HB3 SER A 47 9.494 0.934 0.547 1.00 1.00 H new ATOM 0 HG SER A 47 11.716 0.946 1.260 1.00 1.00 H new ATOM 789 N LEU A 48 6.352 1.292 2.060 1.00 1.00 N ATOM 790 CA LEU A 48 4.989 0.766 1.773 1.00 1.00 C ATOM 791 C LEU A 48 4.377 1.493 0.587 1.00 1.00 C ATOM 792 O LEU A 48 4.221 2.715 0.589 1.00 1.00 O ATOM 793 CB LEU A 48 4.084 0.952 3.026 1.00 1.00 C ATOM 794 CG LEU A 48 4.508 -0.038 4.180 1.00 1.00 C ATOM 795 CD1 LEU A 48 4.238 0.582 5.562 1.00 1.00 C ATOM 796 CD2 LEU A 48 3.749 -1.384 4.064 1.00 1.00 C ATOM 0 H LEU A 48 6.416 2.310 2.083 1.00 1.00 H new ATOM 0 HA LEU A 48 5.065 -0.294 1.531 1.00 1.00 H new ATOM 0 HB2 LEU A 48 4.154 1.981 3.380 1.00 1.00 H new ATOM 0 HB3 LEU A 48 3.042 0.777 2.756 1.00 1.00 H new ATOM 0 HG LEU A 48 5.577 -0.223 4.074 1.00 1.00 H new ATOM 0 HD11 LEU A 48 4.538 -0.119 6.340 1.00 1.00 H new ATOM 0 HD12 LEU A 48 4.809 1.505 5.665 1.00 1.00 H new ATOM 0 HD13 LEU A 48 3.175 0.801 5.661 1.00 1.00 H new ATOM 0 HD21 LEU A 48 4.060 -2.048 4.871 1.00 1.00 H new ATOM 0 HD22 LEU A 48 2.676 -1.204 4.135 1.00 1.00 H new ATOM 0 HD23 LEU A 48 3.976 -1.848 3.104 1.00 1.00 H new ATOM 808 N TRP A 49 4.009 0.728 -0.434 1.00 1.00 N ATOM 809 CA TRP A 49 3.394 1.270 -1.627 1.00 1.00 C ATOM 810 C TRP A 49 2.728 0.140 -2.402 1.00 1.00 C ATOM 811 O TRP A 49 2.668 -1.007 -1.961 1.00 1.00 O ATOM 812 CB TRP A 49 4.454 2.019 -2.480 1.00 1.00 C ATOM 813 CG TRP A 49 5.302 1.048 -3.265 1.00 1.00 C ATOM 814 CD1 TRP A 49 5.152 0.784 -4.582 1.00 1.00 C ATOM 815 CD2 TRP A 49 6.386 0.194 -2.802 1.00 1.00 C ATOM 816 NE1 TRP A 49 6.092 -0.146 -4.968 1.00 1.00 N ATOM 817 CE2 TRP A 49 6.874 -0.548 -3.903 1.00 1.00 C ATOM 818 CE3 TRP A 49 6.994 -0.001 -1.551 1.00 1.00 C ATOM 819 CZ2 TRP A 49 7.925 -1.450 -3.771 1.00 1.00 C ATOM 820 CZ3 TRP A 49 8.054 -0.915 -1.411 1.00 1.00 C ATOM 821 CH2 TRP A 49 8.517 -1.638 -2.520 1.00 1.00 C ATOM 0 H TRP A 49 4.131 -0.285 -0.453 1.00 1.00 H new ATOM 0 HA TRP A 49 2.626 1.996 -1.359 1.00 1.00 H new ATOM 0 HB2 TRP A 49 3.956 2.707 -3.163 1.00 1.00 H new ATOM 0 HB3 TRP A 49 5.090 2.620 -1.830 1.00 1.00 H new ATOM 0 HD1 TRP A 49 4.412 1.231 -5.229 1.00 1.00 H new ATOM 0 HE1 TRP A 49 6.197 -0.494 -5.921 1.00 1.00 H new ATOM 0 HE3 TRP A 49 6.646 0.554 -0.692 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 8.280 -2.001 -4.629 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 8.514 -1.061 -0.445 1.00 1.00 H new ATOM 0 HH2 TRP A 49 9.330 -2.339 -2.407 1.00 1.00 H new ATOM 832 N ILE A 50 2.218 0.473 -3.585 1.00 1.00 N ATOM 833 CA ILE A 50 1.545 -0.514 -4.455 1.00 1.00 C ATOM 834 C ILE A 50 1.849 -0.204 -5.933 1.00 1.00 C ATOM 835 O ILE A 50 2.057 0.944 -6.326 1.00 1.00 O ATOM 836 CB ILE A 50 -0.007 -0.501 -4.222 1.00 1.00 C ATOM 837 CG1 ILE A 50 -0.311 -0.363 -2.703 1.00 1.00 C ATOM 838 CG2 ILE A 50 -0.639 -1.810 -4.782 1.00 1.00 C ATOM 839 CD1 ILE A 50 -1.822 -0.335 -2.431 1.00 1.00 C ATOM 0 H ILE A 50 2.253 1.416 -3.972 1.00 1.00 H new ATOM 0 HA ILE A 50 1.924 -1.505 -4.204 1.00 1.00 H new ATOM 0 HB ILE A 50 -0.441 0.350 -4.747 1.00 1.00 H new ATOM 0 HG12 ILE A 50 0.141 -1.195 -2.163 1.00 1.00 H new ATOM 0 HG13 ILE A 50 0.145 0.550 -2.321 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -1.716 -1.794 -4.617 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.437 -1.883 -5.851 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.207 -2.670 -4.271 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -1.997 -0.238 -1.360 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -2.270 0.513 -2.950 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -2.274 -1.260 -2.790 1.00 1.00 H new ATOM 851 N ASP A 51 1.854 -1.252 -6.749 1.00 1.00 N ATOM 852 CA ASP A 51 2.121 -1.115 -8.197 1.00 1.00 C ATOM 853 C ASP A 51 0.809 -1.133 -8.998 1.00 1.00 C ATOM 854 O ASP A 51 0.156 -2.171 -9.111 1.00 1.00 O ATOM 855 CB ASP A 51 3.036 -2.270 -8.651 1.00 1.00 C ATOM 856 CG ASP A 51 2.403 -3.614 -8.306 1.00 1.00 C ATOM 857 OD1 ASP A 51 2.048 -3.797 -7.154 1.00 1.00 O ATOM 858 OD2 ASP A 51 2.283 -4.442 -9.197 1.00 1.00 O ATOM 0 H ASP A 51 1.678 -2.209 -6.444 1.00 1.00 H new ATOM 0 HA ASP A 51 2.614 -0.160 -8.380 1.00 1.00 H new ATOM 0 HB2 ASP A 51 3.207 -2.206 -9.726 1.00 1.00 H new ATOM 0 HB3 ASP A 51 4.009 -2.184 -8.167 1.00 1.00 H new ATOM 863 N ALA A 52 0.437 0.011 -9.562 1.00 1.00 N ATOM 864 CA ALA A 52 -0.802 0.119 -10.373 1.00 1.00 C ATOM 865 C ALA A 52 -0.493 -0.059 -11.859 1.00 1.00 C ATOM 866 O ALA A 52 -1.397 -0.039 -12.694 1.00 1.00 O ATOM 867 CB ALA A 52 -1.477 1.475 -10.126 1.00 1.00 C ATOM 0 H ALA A 52 0.963 0.881 -9.482 1.00 1.00 H new ATOM 0 HA ALA A 52 -1.484 -0.675 -10.070 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -2.385 1.544 -10.725 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -1.731 1.568 -9.070 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -0.795 2.277 -10.407 1.00 1.00 H new ATOM 873 N THR A 53 0.780 -0.246 -12.197 1.00 1.00 N ATOM 874 CA THR A 53 1.186 -0.454 -13.598 1.00 1.00 C ATOM 875 C THR A 53 0.610 -1.772 -14.101 1.00 1.00 C ATOM 876 O THR A 53 0.339 -2.689 -13.326 1.00 1.00 O ATOM 877 CB THR A 53 2.734 -0.498 -13.729 1.00 1.00 C ATOM 878 OG1 THR A 53 3.094 -1.147 -14.945 1.00 1.00 O ATOM 879 CG2 THR A 53 3.358 -1.267 -12.547 1.00 1.00 C ATOM 0 H THR A 53 1.550 -0.259 -11.529 1.00 1.00 H new ATOM 0 HA THR A 53 0.807 0.378 -14.192 1.00 1.00 H new ATOM 0 HB THR A 53 3.108 0.526 -13.726 1.00 1.00 H new ATOM 0 HG1 THR A 53 4.070 -1.172 -15.026 1.00 1.00 H new ATOM 0 HG21 THR A 53 4.442 -1.287 -12.657 1.00 1.00 H new ATOM 0 HG22 THR A 53 3.097 -0.771 -11.612 1.00 1.00 H new ATOM 0 HG23 THR A 53 2.976 -2.288 -12.535 1.00 1.00 H new ATOM 887 N GLY A 54 0.428 -1.869 -15.414 1.00 1.00 N ATOM 888 CA GLY A 54 -0.130 -3.080 -16.030 1.00 1.00 C ATOM 889 C GLY A 54 -1.614 -3.233 -15.682 1.00 1.00 C ATOM 890 O GLY A 54 -2.427 -3.620 -16.522 1.00 1.00 O ATOM 0 H GLY A 54 0.657 -1.128 -16.076 1.00 1.00 H new ATOM 0 HA2 GLY A 54 -0.009 -3.032 -17.112 1.00 1.00 H new ATOM 0 HA3 GLY A 54 0.421 -3.955 -15.686 1.00 1.00 H new ATOM 894 N LYS A 55 -1.958 -2.927 -14.435 1.00 1.00 N ATOM 895 CA LYS A 55 -3.337 -3.038 -13.963 1.00 1.00 C ATOM 896 C LYS A 55 -4.232 -2.094 -14.767 1.00 1.00 C ATOM 897 O LYS A 55 -3.800 -1.075 -15.304 1.00 1.00 O ATOM 898 CB LYS A 55 -3.423 -2.688 -12.440 1.00 1.00 C ATOM 899 CG LYS A 55 -3.071 -3.898 -11.534 1.00 1.00 C ATOM 900 CD LYS A 55 -1.578 -4.277 -11.673 1.00 1.00 C ATOM 901 CE LYS A 55 -1.258 -5.478 -10.768 1.00 1.00 C ATOM 902 NZ LYS A 55 -1.542 -5.102 -9.358 1.00 1.00 N ATOM 0 H LYS A 55 -1.299 -2.599 -13.729 1.00 1.00 H new ATOM 0 HA LYS A 55 -3.676 -4.064 -14.102 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -2.744 -1.864 -12.221 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -4.430 -2.343 -12.206 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -3.293 -3.656 -10.495 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -3.693 -4.752 -11.803 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -1.351 -4.521 -12.711 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -0.951 -3.428 -11.401 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -1.859 -6.340 -11.058 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -0.213 -5.767 -10.879 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -1.018 -5.733 -8.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -1.246 -4.119 -9.195 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -2.562 -5.191 -9.173 1.00 1.00 H new ATOM 916 N ALA A 56 -5.508 -2.457 -14.840 1.00 1.00 N ATOM 917 CA ALA A 56 -6.525 -1.680 -15.564 1.00 1.00 C ATOM 918 C ALA A 56 -7.562 -1.150 -14.586 1.00 1.00 C ATOM 919 O ALA A 56 -7.521 -1.411 -13.385 1.00 1.00 O ATOM 920 CB ALA A 56 -7.199 -2.585 -16.610 1.00 1.00 C ATOM 0 H ALA A 56 -5.874 -3.301 -14.399 1.00 1.00 H new ATOM 0 HA ALA A 56 -6.054 -0.835 -16.065 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -7.955 -2.015 -17.151 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -6.449 -2.951 -17.311 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -7.671 -3.430 -16.110 1.00 1.00 H new ATOM 926 N VAL A 57 -8.510 -0.380 -15.115 1.00 1.00 N ATOM 927 CA VAL A 57 -9.569 0.201 -14.313 1.00 1.00 C ATOM 928 C VAL A 57 -10.390 -0.903 -13.645 1.00 1.00 C ATOM 929 O VAL A 57 -10.604 -1.987 -14.191 1.00 1.00 O ATOM 930 CB VAL A 57 -10.478 1.094 -15.200 1.00 1.00 C ATOM 931 CG1 VAL A 57 -11.438 1.914 -14.311 1.00 1.00 C ATOM 932 CG2 VAL A 57 -9.601 2.060 -16.035 1.00 1.00 C ATOM 0 H VAL A 57 -8.561 -0.146 -16.106 1.00 1.00 H new ATOM 0 HA VAL A 57 -9.125 0.821 -13.534 1.00 1.00 H new ATOM 0 HB VAL A 57 -11.060 0.458 -15.867 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -12.073 2.538 -14.940 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -12.060 1.237 -13.726 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -10.859 2.547 -13.638 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -10.240 2.686 -16.657 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -9.016 2.691 -15.366 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -8.929 1.484 -16.671 1.00 1.00 H new ATOM 942 N GLY A 58 -10.858 -0.619 -12.434 1.00 1.00 N ATOM 943 CA GLY A 58 -11.663 -1.560 -11.645 1.00 1.00 C ATOM 944 C GLY A 58 -10.993 -1.822 -10.318 1.00 1.00 C ATOM 945 O GLY A 58 -9.861 -1.403 -10.077 1.00 1.00 O ATOM 0 H GLY A 58 -10.692 0.272 -11.966 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -12.661 -1.152 -11.484 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -11.785 -2.495 -12.192 1.00 1.00 H new ATOM 949 N GLU A 59 -11.708 -2.524 -9.443 1.00 1.00 N ATOM 950 CA GLU A 59 -11.188 -2.843 -8.102 1.00 1.00 C ATOM 951 C GLU A 59 -10.386 -4.150 -8.099 1.00 1.00 C ATOM 952 O GLU A 59 -10.817 -5.169 -8.637 1.00 1.00 O ATOM 953 CB GLU A 59 -12.367 -2.931 -7.102 1.00 1.00 C ATOM 954 CG GLU A 59 -13.422 -3.947 -7.593 1.00 1.00 C ATOM 955 CD GLU A 59 -14.599 -4.008 -6.622 1.00 1.00 C ATOM 956 OE1 GLU A 59 -14.980 -2.965 -6.119 1.00 1.00 O ATOM 957 OE2 GLU A 59 -15.100 -5.100 -6.398 1.00 1.00 O ATOM 0 H GLU A 59 -12.644 -2.884 -9.630 1.00 1.00 H new ATOM 0 HA GLU A 59 -10.508 -2.046 -7.800 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -11.997 -3.228 -6.121 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -12.826 -1.949 -6.986 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -13.775 -3.663 -8.584 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -12.969 -4.934 -7.687 1.00 1.00 H new ATOM 964 N HIS A 60 -9.211 -4.096 -7.481 1.00 1.00 N ATOM 965 CA HIS A 60 -8.327 -5.254 -7.380 1.00 1.00 C ATOM 966 C HIS A 60 -7.686 -5.301 -5.992 1.00 1.00 C ATOM 967 O HIS A 60 -7.414 -4.284 -5.354 1.00 1.00 O ATOM 968 CB HIS A 60 -7.249 -5.173 -8.479 1.00 1.00 C ATOM 969 CG HIS A 60 -7.922 -5.076 -9.826 1.00 1.00 C ATOM 970 ND1 HIS A 60 -8.564 -6.159 -10.413 1.00 1.00 N ATOM 971 CD2 HIS A 60 -8.071 -4.033 -10.706 1.00 1.00 C ATOM 972 CE1 HIS A 60 -9.069 -5.740 -11.591 1.00 1.00 C ATOM 973 NE2 HIS A 60 -8.795 -4.453 -11.817 1.00 1.00 N ATOM 0 H HIS A 60 -8.845 -3.253 -7.038 1.00 1.00 H new ATOM 0 HA HIS A 60 -8.903 -6.169 -7.521 1.00 1.00 H new ATOM 0 HB2 HIS A 60 -6.610 -4.306 -8.315 1.00 1.00 H new ATOM 0 HB3 HIS A 60 -6.608 -6.053 -8.442 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -7.684 -3.036 -10.558 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -9.627 -6.369 -12.269 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -9.060 -3.897 -12.630 1.00 1.00 H new ATOM 982 N THR A 61 -7.437 -6.518 -5.525 1.00 1.00 N ATOM 983 CA THR A 61 -6.811 -6.759 -4.199 1.00 1.00 C ATOM 984 C THR A 61 -5.430 -7.369 -4.405 1.00 1.00 C ATOM 985 O THR A 61 -5.267 -8.338 -5.148 1.00 1.00 O ATOM 986 CB THR A 61 -7.690 -7.705 -3.343 1.00 1.00 C ATOM 987 OG1 THR A 61 -9.002 -7.167 -3.262 1.00 1.00 O ATOM 988 CG2 THR A 61 -7.119 -7.841 -1.910 1.00 1.00 C ATOM 0 H THR A 61 -7.656 -7.371 -6.039 1.00 1.00 H new ATOM 0 HA THR A 61 -6.719 -5.811 -3.669 1.00 1.00 H new ATOM 0 HB THR A 61 -7.703 -8.689 -3.812 1.00 1.00 H new ATOM 0 HG1 THR A 61 -9.570 -7.768 -2.736 1.00 1.00 H new ATOM 0 HG21 THR A 61 -7.753 -8.510 -1.328 1.00 1.00 H new ATOM 0 HG22 THR A 61 -6.109 -8.248 -1.958 1.00 1.00 H new ATOM 0 HG23 THR A 61 -7.093 -6.861 -1.434 1.00 1.00 H new ATOM 996 N VAL A 62 -4.422 -6.800 -3.755 1.00 1.00 N ATOM 997 CA VAL A 62 -3.042 -7.285 -3.908 1.00 1.00 C ATOM 998 C VAL A 62 -2.235 -7.032 -2.635 1.00 1.00 C ATOM 999 O VAL A 62 -2.419 -6.039 -1.931 1.00 1.00 O ATOM 1000 CB VAL A 62 -2.365 -6.590 -5.131 1.00 1.00 C ATOM 1001 CG1 VAL A 62 -3.059 -6.998 -6.465 1.00 1.00 C ATOM 1002 CG2 VAL A 62 -2.433 -5.051 -4.965 1.00 1.00 C ATOM 0 H VAL A 62 -4.525 -6.008 -3.120 1.00 1.00 H new ATOM 0 HA VAL A 62 -3.069 -8.360 -4.084 1.00 1.00 H new ATOM 0 HB VAL A 62 -1.325 -6.913 -5.170 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -2.566 -6.499 -7.299 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -2.989 -8.078 -6.596 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -4.108 -6.703 -6.434 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -1.959 -4.571 -5.821 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -3.475 -4.737 -4.904 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -1.913 -4.760 -4.052 1.00 1.00 H new ATOM 1012 N LYS A 63 -1.322 -7.953 -2.345 1.00 1.00 N ATOM 1013 CA LYS A 63 -0.476 -7.867 -1.166 1.00 1.00 C ATOM 1014 C LYS A 63 0.463 -6.670 -1.273 1.00 1.00 C ATOM 1015 O LYS A 63 0.793 -6.177 -2.350 1.00 1.00 O ATOM 1016 CB LYS A 63 0.330 -9.178 -1.001 1.00 1.00 C ATOM 1017 CG LYS A 63 -0.596 -10.427 -1.018 1.00 1.00 C ATOM 1018 CD LYS A 63 -1.576 -10.435 0.180 1.00 1.00 C ATOM 1019 CE LYS A 63 -2.408 -11.728 0.178 1.00 1.00 C ATOM 1020 NZ LYS A 63 -3.331 -11.696 1.346 1.00 1.00 N ATOM 0 H LYS A 63 -1.150 -8.777 -2.921 1.00 1.00 H new ATOM 0 HA LYS A 63 -1.105 -7.729 -0.287 1.00 1.00 H new ATOM 0 HB2 LYS A 63 1.064 -9.258 -1.803 1.00 1.00 H new ATOM 0 HB3 LYS A 63 0.885 -9.149 -0.063 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -1.161 -10.447 -1.950 1.00 1.00 H new ATOM 0 HG3 LYS A 63 0.013 -11.331 -0.995 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -1.020 -10.353 1.114 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -2.236 -9.569 0.125 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -2.974 -11.813 -0.750 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -1.755 -12.599 0.235 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -3.727 -12.645 1.501 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -2.808 -11.396 2.193 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -4.103 -11.025 1.160 1.00 1.00 H new ATOM 1034 N ILE A 64 0.896 -6.178 -0.117 1.00 1.00 N ATOM 1035 CA ILE A 64 1.800 -5.010 -0.054 1.00 1.00 C ATOM 1036 C ILE A 64 3.239 -5.500 0.026 1.00 1.00 C ATOM 1037 O ILE A 64 3.625 -6.150 0.997 1.00 1.00 O ATOM 1038 CB ILE A 64 1.448 -4.144 1.202 1.00 1.00 C ATOM 1039 CG1 ILE A 64 -0.099 -3.992 1.331 1.00 1.00 C ATOM 1040 CG2 ILE A 64 2.108 -2.744 1.085 1.00 1.00 C ATOM 1041 CD1 ILE A 64 -0.730 -3.471 0.025 1.00 1.00 C ATOM 0 H ILE A 64 0.642 -6.561 0.793 1.00 1.00 H new ATOM 0 HA ILE A 64 1.680 -4.396 -0.946 1.00 1.00 H new ATOM 0 HB ILE A 64 1.831 -4.644 2.092 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.539 -4.955 1.589 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -0.331 -3.307 2.146 1.00 1.00 H new ATOM 0 HG21 ILE A 64 1.857 -2.149 1.963 1.00 1.00 H new ATOM 0 HG22 ILE A 64 3.190 -2.856 1.020 1.00 1.00 H new ATOM 0 HG23 ILE A 64 1.741 -2.242 0.190 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -1.808 -3.378 0.154 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -0.308 -2.496 -0.219 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -0.520 -4.170 -0.785 1.00 1.00 H new ATOM 1053 N TYR A 65 4.056 -5.207 -0.979 1.00 1.00 N ATOM 1054 CA TYR A 65 5.465 -5.639 -0.999 1.00 1.00 C ATOM 1055 C TYR A 65 6.326 -4.630 -0.256 1.00 1.00 C ATOM 1056 O TYR A 65 6.832 -3.678 -0.853 1.00 1.00 O ATOM 1057 CB TYR A 65 5.983 -5.760 -2.453 1.00 1.00 C ATOM 1058 CG TYR A 65 5.117 -6.745 -3.240 1.00 1.00 C ATOM 1059 CD1 TYR A 65 5.386 -8.129 -3.192 1.00 1.00 C ATOM 1060 CD2 TYR A 65 4.054 -6.276 -4.037 1.00 1.00 C ATOM 1061 CE1 TYR A 65 4.597 -9.022 -3.929 1.00 1.00 C ATOM 1062 CE2 TYR A 65 3.271 -7.177 -4.765 1.00 1.00 C ATOM 1063 CZ TYR A 65 3.545 -8.544 -4.718 1.00 1.00 C ATOM 1064 OH TYR A 65 2.778 -9.427 -5.450 1.00 1.00 O ATOM 0 H TYR A 65 3.773 -4.670 -1.799 1.00 1.00 H new ATOM 0 HA TYR A 65 5.526 -6.613 -0.514 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.966 -4.783 -2.936 1.00 1.00 H new ATOM 0 HB3 TYR A 65 7.020 -6.097 -2.451 1.00 1.00 H new ATOM 0 HD1 TYR A 65 6.200 -8.500 -2.587 1.00 1.00 H new ATOM 0 HD2 TYR A 65 3.843 -5.218 -4.086 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.801 -10.082 -3.888 1.00 1.00 H new ATOM 0 HE2 TYR A 65 2.451 -6.813 -5.366 1.00 1.00 H new ATOM 0 HH TYR A 65 2.089 -8.932 -5.942 1.00 1.00 H new ATOM 1074 N TRP A 66 6.506 -4.837 1.043 1.00 1.00 N ATOM 1075 CA TRP A 66 7.306 -3.938 1.878 1.00 1.00 C ATOM 1076 C TRP A 66 8.757 -4.379 1.914 1.00 1.00 C ATOM 1077 O TRP A 66 9.097 -5.489 1.496 1.00 1.00 O ATOM 1078 CB TRP A 66 6.700 -3.876 3.305 1.00 1.00 C ATOM 1079 CG TRP A 66 6.504 -5.246 3.878 1.00 1.00 C ATOM 1080 CD1 TRP A 66 7.488 -6.133 4.125 1.00 1.00 C ATOM 1081 CD2 TRP A 66 5.263 -5.895 4.295 1.00 1.00 C ATOM 1082 NE1 TRP A 66 6.947 -7.268 4.684 1.00 1.00 N ATOM 1083 CE2 TRP A 66 5.577 -7.176 4.806 1.00 1.00 C ATOM 1084 CE3 TRP A 66 3.913 -5.497 4.292 1.00 1.00 C ATOM 1085 CZ2 TRP A 66 4.593 -8.035 5.283 1.00 1.00 C ATOM 1086 CZ3 TRP A 66 2.916 -6.365 4.768 1.00 1.00 C ATOM 1087 CH2 TRP A 66 3.258 -7.629 5.268 1.00 1.00 C ATOM 0 H TRP A 66 6.106 -5.627 1.549 1.00 1.00 H new ATOM 0 HA TRP A 66 7.283 -2.938 1.446 1.00 1.00 H new ATOM 0 HB2 TRP A 66 7.357 -3.299 3.956 1.00 1.00 H new ATOM 0 HB3 TRP A 66 5.744 -3.354 3.273 1.00 1.00 H new ATOM 0 HD1 TRP A 66 8.536 -5.977 3.917 1.00 1.00 H new ATOM 0 HE1 TRP A 66 7.494 -8.079 4.973 1.00 1.00 H new ATOM 0 HE3 TRP A 66 3.642 -4.519 3.922 1.00 1.00 H new ATOM 0 HZ2 TRP A 66 4.860 -9.010 5.663 1.00 1.00 H new ATOM 0 HZ3 TRP A 66 1.881 -6.057 4.749 1.00 1.00 H new ATOM 0 HH2 TRP A 66 2.489 -8.288 5.642 1.00 1.00 H new ATOM 1098 N GLN A 67 9.623 -3.510 2.425 1.00 1.00 N ATOM 1099 CA GLN A 67 11.067 -3.807 2.525 1.00 1.00 C ATOM 1100 C GLN A 67 11.632 -3.294 3.851 1.00 1.00 C ATOM 1101 O GLN A 67 11.434 -2.142 4.234 1.00 1.00 O ATOM 1102 CB GLN A 67 11.837 -3.144 1.359 1.00 1.00 C ATOM 1103 CG GLN A 67 11.356 -3.698 0.003 1.00 1.00 C ATOM 1104 CD GLN A 67 12.174 -3.086 -1.131 1.00 1.00 C ATOM 1105 OE1 GLN A 67 13.226 -3.609 -1.491 1.00 1.00 O ATOM 1106 NE2 GLN A 67 11.757 -1.991 -1.696 1.00 1.00 N ATOM 0 H GLN A 67 9.360 -2.591 2.780 1.00 1.00 H new ATOM 0 HA GLN A 67 11.190 -4.889 2.474 1.00 1.00 H new ATOM 0 HB2 GLN A 67 11.692 -2.064 1.388 1.00 1.00 H new ATOM 0 HB3 GLN A 67 12.906 -3.325 1.473 1.00 1.00 H new ATOM 0 HG2 GLN A 67 11.455 -4.783 -0.011 1.00 1.00 H new ATOM 0 HG3 GLN A 67 10.299 -3.472 -0.137 1.00 1.00 H new ATOM 0 HE21 GLN A 67 10.883 -1.562 -1.393 1.00 1.00 H new ATOM 0 HE22 GLN A 67 12.304 -1.562 -2.442 1.00 1.00 H new ATOM 1115 N LEU A 68 12.357 -4.163 4.550 1.00 1.00 N ATOM 1116 CA LEU A 68 12.975 -3.805 5.850 1.00 1.00 C ATOM 1117 C LEU A 68 14.491 -4.189 5.859 1.00 1.00 C ATOM 1118 O LEU A 68 14.814 -5.361 5.661 1.00 1.00 O ATOM 1119 CB LEU A 68 12.225 -4.468 7.051 1.00 1.00 C ATOM 1120 CG LEU A 68 10.707 -4.733 6.710 1.00 1.00 C ATOM 1121 CD1 LEU A 68 10.529 -6.060 5.902 1.00 1.00 C ATOM 1122 CD2 LEU A 68 9.873 -4.797 8.010 1.00 1.00 C ATOM 0 H LEU A 68 12.538 -5.121 4.250 1.00 1.00 H new ATOM 0 HA LEU A 68 12.888 -2.725 5.972 1.00 1.00 H new ATOM 0 HB2 LEU A 68 12.710 -5.409 7.310 1.00 1.00 H new ATOM 0 HB3 LEU A 68 12.295 -3.822 7.926 1.00 1.00 H new ATOM 0 HG LEU A 68 10.354 -3.907 6.092 1.00 1.00 H new ATOM 0 HD11 LEU A 68 9.472 -6.214 5.683 1.00 1.00 H new ATOM 0 HD12 LEU A 68 11.087 -5.995 4.968 1.00 1.00 H new ATOM 0 HD13 LEU A 68 10.903 -6.898 6.491 1.00 1.00 H new ATOM 0 HD21 LEU A 68 8.827 -4.980 7.763 1.00 1.00 H new ATOM 0 HD22 LEU A 68 10.244 -5.605 8.641 1.00 1.00 H new ATOM 0 HD23 LEU A 68 9.959 -3.851 8.544 1.00 1.00 H new ATOM 1134 N PRO A 69 15.390 -3.271 6.094 1.00 1.00 N ATOM 1135 CA PRO A 69 16.868 -3.594 6.128 1.00 1.00 C ATOM 1136 C PRO A 69 17.322 -4.205 7.466 1.00 1.00 C ATOM 1137 O PRO A 69 18.027 -3.564 8.245 1.00 1.00 O ATOM 1138 CB PRO A 69 17.517 -2.206 5.859 1.00 1.00 C ATOM 1139 CG PRO A 69 16.588 -1.225 6.527 1.00 1.00 C ATOM 1140 CD PRO A 69 15.170 -1.816 6.356 1.00 1.00 C ATOM 0 HA PRO A 69 17.153 -4.357 5.403 1.00 1.00 H new ATOM 0 HB2 PRO A 69 18.522 -2.149 6.276 1.00 1.00 H new ATOM 0 HB3 PRO A 69 17.604 -2.008 4.791 1.00 1.00 H new ATOM 0 HG2 PRO A 69 16.838 -1.103 7.581 1.00 1.00 H new ATOM 0 HG3 PRO A 69 16.661 -0.240 6.066 1.00 1.00 H new ATOM 0 HD2 PRO A 69 14.567 -1.662 7.251 1.00 1.00 H new ATOM 0 HD3 PRO A 69 14.641 -1.341 5.530 1.00 1.00 H new ATOM 1148 N ALA A 70 16.928 -5.449 7.716 1.00 1.00 N ATOM 1149 CA ALA A 70 17.299 -6.146 8.962 1.00 1.00 C ATOM 1150 C ALA A 70 16.978 -7.645 8.878 1.00 1.00 C ATOM 1151 O ALA A 70 16.915 -8.238 7.801 1.00 1.00 O ATOM 1152 CB ALA A 70 16.547 -5.494 10.136 1.00 1.00 C ATOM 0 H ALA A 70 16.353 -6.002 7.080 1.00 1.00 H new ATOM 0 HA ALA A 70 18.374 -6.055 9.117 1.00 1.00 H new ATOM 0 HB1 ALA A 70 16.812 -6.000 11.064 1.00 1.00 H new ATOM 0 HB2 ALA A 70 16.822 -4.442 10.205 1.00 1.00 H new ATOM 0 HB3 ALA A 70 15.473 -5.578 9.971 1.00 1.00 H new ATOM 1158 N GLY A 71 16.770 -8.260 10.039 1.00 1.00 N ATOM 1159 CA GLY A 71 16.445 -9.704 10.151 1.00 1.00 C ATOM 1160 C GLY A 71 15.026 -9.895 10.649 1.00 1.00 C ATOM 1161 O GLY A 71 14.776 -10.673 11.570 1.00 1.00 O ATOM 0 H GLY A 71 16.819 -7.782 10.939 1.00 1.00 H new ATOM 0 HA2 GLY A 71 16.563 -10.185 9.180 1.00 1.00 H new ATOM 0 HA3 GLY A 71 17.144 -10.188 10.834 1.00 1.00 H new ATOM 1165 N ILE A 72 14.091 -9.176 10.039 1.00 1.00 N ATOM 1166 CA ILE A 72 12.668 -9.241 10.406 1.00 1.00 C ATOM 1167 C ILE A 72 11.935 -10.246 9.519 1.00 1.00 C ATOM 1168 O ILE A 72 12.258 -10.450 8.350 1.00 1.00 O ATOM 1169 CB ILE A 72 12.022 -7.835 10.255 1.00 1.00 C ATOM 1170 CG1 ILE A 72 12.703 -6.836 11.242 1.00 1.00 C ATOM 1171 CG2 ILE A 72 10.505 -7.914 10.570 1.00 1.00 C ATOM 1172 CD1 ILE A 72 12.272 -5.392 10.936 1.00 1.00 C ATOM 0 H ILE A 72 14.290 -8.530 9.276 1.00 1.00 H new ATOM 0 HA ILE A 72 12.587 -9.566 11.443 1.00 1.00 H new ATOM 0 HB ILE A 72 12.160 -7.489 9.231 1.00 1.00 H new ATOM 0 HG12 ILE A 72 12.436 -7.091 12.268 1.00 1.00 H new ATOM 0 HG13 ILE A 72 13.787 -6.922 11.164 1.00 1.00 H new ATOM 0 HG21 ILE A 72 10.059 -6.925 10.462 1.00 1.00 H new ATOM 0 HG22 ILE A 72 10.025 -8.606 9.878 1.00 1.00 H new ATOM 0 HG23 ILE A 72 10.363 -8.266 11.592 1.00 1.00 H new ATOM 0 HD11 ILE A 72 12.758 -4.711 11.635 1.00 1.00 H new ATOM 0 HD12 ILE A 72 12.562 -5.134 9.917 1.00 1.00 H new ATOM 0 HD13 ILE A 72 11.190 -5.306 11.038 1.00 1.00 H new ATOM 1184 N GLU A 73 10.923 -10.878 10.104 1.00 1.00 N ATOM 1185 CA GLU A 73 10.092 -11.869 9.404 1.00 1.00 C ATOM 1186 C GLU A 73 8.712 -11.282 9.113 1.00 1.00 C ATOM 1187 O GLU A 73 8.280 -10.283 9.686 1.00 1.00 O ATOM 1188 CB GLU A 73 9.964 -13.139 10.278 1.00 1.00 C ATOM 1189 CG GLU A 73 11.362 -13.738 10.569 1.00 1.00 C ATOM 1190 CD GLU A 73 12.047 -14.202 9.280 1.00 1.00 C ATOM 1191 OE1 GLU A 73 11.348 -14.663 8.391 1.00 1.00 O ATOM 1192 OE2 GLU A 73 13.259 -14.088 9.206 1.00 1.00 O ATOM 0 H GLU A 73 10.651 -10.723 11.075 1.00 1.00 H new ATOM 0 HA GLU A 73 10.561 -12.133 8.456 1.00 1.00 H new ATOM 0 HB2 GLU A 73 9.464 -12.894 11.215 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.344 -13.877 9.769 1.00 1.00 H new ATOM 0 HG2 GLU A 73 11.983 -12.993 11.066 1.00 1.00 H new ATOM 0 HG3 GLU A 73 11.264 -14.580 11.255 1.00 1.00 H new ATOM 1199 N MET A 74 8.003 -11.923 8.190 1.00 1.00 N ATOM 1200 CA MET A 74 6.652 -11.488 7.777 1.00 1.00 C ATOM 1201 C MET A 74 5.611 -12.486 8.283 1.00 1.00 C ATOM 1202 O MET A 74 5.483 -13.598 7.773 1.00 1.00 O ATOM 1203 CB MET A 74 6.582 -11.366 6.222 1.00 1.00 C ATOM 1204 CG MET A 74 7.337 -12.524 5.543 1.00 1.00 C ATOM 1205 SD MET A 74 7.169 -12.376 3.740 1.00 1.00 S ATOM 1206 CE MET A 74 8.636 -11.365 3.404 1.00 1.00 C ATOM 0 H MET A 74 8.336 -12.755 7.703 1.00 1.00 H new ATOM 0 HA MET A 74 6.441 -10.511 8.210 1.00 1.00 H new ATOM 0 HB2 MET A 74 5.541 -11.368 5.900 1.00 1.00 H new ATOM 0 HB3 MET A 74 7.011 -10.414 5.909 1.00 1.00 H new ATOM 0 HG2 MET A 74 8.390 -12.501 5.825 1.00 1.00 H new ATOM 0 HG3 MET A 74 6.937 -13.481 5.880 1.00 1.00 H new ATOM 0 HE1 MET A 74 8.704 -11.167 2.334 1.00 1.00 H new ATOM 0 HE2 MET A 74 8.559 -10.421 3.944 1.00 1.00 H new ATOM 0 HE3 MET A 74 9.528 -11.898 3.732 1.00 1.00 H new ATOM 1216 N VAL A 75 4.841 -12.085 9.290 1.00 1.00 N ATOM 1217 CA VAL A 75 3.802 -12.961 9.848 1.00 1.00 C ATOM 1218 C VAL A 75 2.793 -13.294 8.771 1.00 1.00 C ATOM 1219 O VAL A 75 2.843 -14.375 8.180 1.00 1.00 O ATOM 1220 CB VAL A 75 3.091 -12.263 11.038 1.00 1.00 C ATOM 1221 CG1 VAL A 75 1.955 -13.151 11.628 1.00 1.00 C ATOM 1222 CG2 VAL A 75 4.127 -11.967 12.137 1.00 1.00 C ATOM 0 H VAL A 75 4.911 -11.170 9.736 1.00 1.00 H new ATOM 0 HA VAL A 75 4.266 -13.879 10.209 1.00 1.00 H new ATOM 0 HB VAL A 75 2.642 -11.339 10.674 1.00 1.00 H new ATOM 0 HG11 VAL A 75 1.480 -12.630 12.459 1.00 1.00 H new ATOM 0 HG12 VAL A 75 1.213 -13.354 10.855 1.00 1.00 H new ATOM 0 HG13 VAL A 75 2.376 -14.092 11.983 1.00 1.00 H new ATOM 0 HG21 VAL A 75 3.636 -11.476 12.977 1.00 1.00 H new ATOM 0 HG22 VAL A 75 4.577 -12.901 12.474 1.00 1.00 H new ATOM 0 HG23 VAL A 75 4.903 -11.314 11.739 1.00 1.00 H new ATOM 1232 N SER A 76 1.851 -12.390 8.522 1.00 1.00 N ATOM 1233 CA SER A 76 0.819 -12.607 7.518 1.00 1.00 C ATOM 1234 C SER A 76 -0.052 -11.370 7.423 1.00 1.00 C ATOM 1235 O SER A 76 -0.111 -10.571 8.359 1.00 1.00 O ATOM 1236 CB SER A 76 -0.077 -13.767 7.942 1.00 1.00 C ATOM 1237 OG SER A 76 0.592 -15.004 7.719 1.00 1.00 O ATOM 0 H SER A 76 1.782 -11.495 9.006 1.00 1.00 H new ATOM 0 HA SER A 76 1.297 -12.823 6.563 1.00 1.00 H new ATOM 0 HB2 SER A 76 -0.338 -13.670 8.996 1.00 1.00 H new ATOM 0 HB3 SER A 76 -1.010 -13.742 7.379 1.00 1.00 H new ATOM 0 HG SER A 76 1.518 -14.831 7.449 1.00 1.00 H new ATOM 1243 N ILE A 77 -0.739 -11.217 6.297 1.00 1.00 N ATOM 1244 CA ILE A 77 -1.668 -10.095 6.110 1.00 1.00 C ATOM 1245 C ILE A 77 -0.924 -8.743 6.215 1.00 1.00 C ATOM 1246 O ILE A 77 0.237 -8.751 6.622 1.00 1.00 O ATOM 1247 CB ILE A 77 -2.879 -10.223 7.173 1.00 1.00 C ATOM 1248 CG1 ILE A 77 -2.628 -9.359 8.482 1.00 1.00 C ATOM 1249 CG2 ILE A 77 -3.159 -11.702 7.550 1.00 1.00 C ATOM 1250 CD1 ILE A 77 -3.832 -9.397 9.414 1.00 1.00 C ATOM 0 H ILE A 77 -0.675 -11.850 5.499 1.00 1.00 H new ATOM 0 HA ILE A 77 -2.096 -10.131 5.108 1.00 1.00 H new ATOM 0 HB ILE A 77 -3.762 -9.822 6.675 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -1.749 -9.736 9.005 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.415 -8.327 8.203 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.979 -11.746 8.266 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -3.429 -12.261 6.654 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -2.265 -12.140 7.995 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -3.626 -8.796 10.299 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -4.704 -8.996 8.898 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.029 -10.427 9.713 1.00 1.00 H new ATOM 1262 N PRO A 78 -1.540 -7.625 5.949 1.00 1.00 N ATOM 1263 CA PRO A 78 -2.947 -7.478 5.441 1.00 1.00 C ATOM 1264 C PRO A 78 -3.002 -7.213 3.970 1.00 1.00 C ATOM 1265 O PRO A 78 -1.986 -7.031 3.299 1.00 1.00 O ATOM 1266 CB PRO A 78 -3.476 -6.300 6.289 1.00 1.00 C ATOM 1267 CG PRO A 78 -2.250 -5.428 6.545 1.00 1.00 C ATOM 1268 CD PRO A 78 -0.987 -6.275 6.139 1.00 1.00 C ATOM 0 HA PRO A 78 -3.546 -8.383 5.545 1.00 1.00 H new ATOM 0 HB2 PRO A 78 -4.252 -5.747 5.759 1.00 1.00 H new ATOM 0 HB3 PRO A 78 -3.915 -6.650 7.223 1.00 1.00 H new ATOM 0 HG2 PRO A 78 -2.302 -4.509 5.961 1.00 1.00 H new ATOM 0 HG3 PRO A 78 -2.197 -5.136 7.594 1.00 1.00 H new ATOM 0 HD2 PRO A 78 -0.524 -5.897 5.228 1.00 1.00 H new ATOM 0 HD3 PRO A 78 -0.223 -6.258 6.916 1.00 1.00 H new ATOM 1276 N ASP A 79 -4.224 -7.178 3.450 1.00 1.00 N ATOM 1277 CA ASP A 79 -4.505 -6.941 2.038 1.00 1.00 C ATOM 1278 C ASP A 79 -5.236 -5.631 1.924 1.00 1.00 C ATOM 1279 O ASP A 79 -5.855 -5.116 2.855 1.00 1.00 O ATOM 1280 CB ASP A 79 -5.358 -8.112 1.461 1.00 1.00 C ATOM 1281 CG ASP A 79 -6.412 -8.578 2.475 1.00 1.00 C ATOM 1282 OD1 ASP A 79 -6.028 -9.172 3.473 1.00 1.00 O ATOM 1283 OD2 ASP A 79 -7.585 -8.338 2.241 1.00 1.00 O ATOM 0 H ASP A 79 -5.065 -7.317 4.010 1.00 1.00 H new ATOM 0 HA ASP A 79 -3.580 -6.894 1.463 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -5.849 -7.790 0.543 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -4.707 -8.946 1.199 1.00 1.00 H new ATOM 1288 N VAL A 80 -5.166 -5.040 0.736 1.00 1.00 N ATOM 1289 CA VAL A 80 -5.822 -3.747 0.480 1.00 1.00 C ATOM 1290 C VAL A 80 -6.627 -3.818 -0.808 1.00 1.00 C ATOM 1291 O VAL A 80 -6.151 -4.243 -1.860 1.00 1.00 O ATOM 1292 CB VAL A 80 -4.752 -2.630 0.408 1.00 1.00 C ATOM 1293 CG1 VAL A 80 -5.421 -1.251 0.178 1.00 1.00 C ATOM 1294 CG2 VAL A 80 -3.951 -2.602 1.739 1.00 1.00 C ATOM 0 H VAL A 80 -4.667 -5.427 -0.065 1.00 1.00 H new ATOM 0 HA VAL A 80 -6.509 -3.517 1.294 1.00 1.00 H new ATOM 0 HB VAL A 80 -4.081 -2.836 -0.426 1.00 1.00 H new ATOM 0 HG11 VAL A 80 -4.654 -0.478 0.130 1.00 1.00 H new ATOM 0 HG12 VAL A 80 -5.978 -1.268 -0.759 1.00 1.00 H new ATOM 0 HG13 VAL A 80 -6.102 -1.035 1.001 1.00 1.00 H new ATOM 0 HG21 VAL A 80 -3.196 -1.817 1.693 1.00 1.00 H new ATOM 0 HG22 VAL A 80 -4.630 -2.404 2.568 1.00 1.00 H new ATOM 0 HG23 VAL A 80 -3.464 -3.565 1.891 1.00 1.00 H new ATOM 1304 N THR A 81 -7.874 -3.366 -0.723 1.00 1.00 N ATOM 1305 CA THR A 81 -8.796 -3.339 -1.865 1.00 1.00 C ATOM 1306 C THR A 81 -9.319 -1.913 -2.057 1.00 1.00 C ATOM 1307 O THR A 81 -9.724 -1.232 -1.116 1.00 1.00 O ATOM 1308 CB THR A 81 -9.981 -4.311 -1.617 1.00 1.00 C ATOM 1309 OG1 THR A 81 -9.466 -5.574 -1.230 1.00 1.00 O ATOM 1310 CG2 THR A 81 -10.815 -4.478 -2.907 1.00 1.00 C ATOM 0 H THR A 81 -8.280 -3.006 0.141 1.00 1.00 H new ATOM 0 HA THR A 81 -8.268 -3.657 -2.764 1.00 1.00 H new ATOM 0 HB THR A 81 -10.619 -3.905 -0.832 1.00 1.00 H new ATOM 0 HG1 THR A 81 -9.329 -6.129 -2.026 1.00 1.00 H new ATOM 0 HG21 THR A 81 -11.643 -5.162 -2.719 1.00 1.00 H new ATOM 0 HG22 THR A 81 -11.208 -3.509 -3.214 1.00 1.00 H new ATOM 0 HG23 THR A 81 -10.184 -4.881 -3.699 1.00 1.00 H new ATOM 1318 N TYR A 82 -9.320 -1.469 -3.309 1.00 1.00 N ATOM 1319 CA TYR A 82 -9.797 -0.127 -3.654 1.00 1.00 C ATOM 1320 C TYR A 82 -10.466 -0.134 -5.016 1.00 1.00 C ATOM 1321 O TYR A 82 -10.614 -1.158 -5.684 1.00 1.00 O ATOM 1322 CB TYR A 82 -8.623 0.876 -3.621 1.00 1.00 C ATOM 1323 CG TYR A 82 -7.529 0.467 -4.616 1.00 1.00 C ATOM 1324 CD1 TYR A 82 -7.602 0.878 -5.961 1.00 1.00 C ATOM 1325 CD2 TYR A 82 -6.436 -0.322 -4.197 1.00 1.00 C ATOM 1326 CE1 TYR A 82 -6.598 0.507 -6.869 1.00 1.00 C ATOM 1327 CE2 TYR A 82 -5.437 -0.688 -5.110 1.00 1.00 C ATOM 1328 CZ TYR A 82 -5.519 -0.274 -6.443 1.00 1.00 C ATOM 1329 OH TYR A 82 -4.531 -0.635 -7.342 1.00 1.00 O ATOM 0 H TYR A 82 -8.996 -2.017 -4.106 1.00 1.00 H new ATOM 0 HA TYR A 82 -10.538 0.184 -2.918 1.00 1.00 H new ATOM 0 HB2 TYR A 82 -8.986 1.875 -3.863 1.00 1.00 H new ATOM 0 HB3 TYR A 82 -8.207 0.923 -2.615 1.00 1.00 H new ATOM 0 HD1 TYR A 82 -8.434 1.481 -6.295 1.00 1.00 H new ATOM 0 HD2 TYR A 82 -6.369 -0.645 -3.169 1.00 1.00 H new ATOM 0 HE1 TYR A 82 -6.659 0.825 -7.899 1.00 1.00 H new ATOM 0 HE2 TYR A 82 -4.603 -1.291 -4.783 1.00 1.00 H new ATOM 0 HH TYR A 82 -3.854 -1.176 -6.884 1.00 1.00 H new ATOM 1339 N THR A 83 -10.895 1.043 -5.461 1.00 1.00 N ATOM 1340 CA THR A 83 -11.574 1.192 -6.786 1.00 1.00 C ATOM 1341 C THR A 83 -10.895 2.269 -7.638 1.00 1.00 C ATOM 1342 O THR A 83 -10.656 3.389 -7.189 1.00 1.00 O ATOM 1343 CB THR A 83 -13.065 1.560 -6.584 1.00 1.00 C ATOM 1344 OG1 THR A 83 -13.660 0.607 -5.715 1.00 1.00 O ATOM 1345 CG2 THR A 83 -13.824 1.542 -7.934 1.00 1.00 C ATOM 0 H THR A 83 -10.795 1.915 -4.942 1.00 1.00 H new ATOM 0 HA THR A 83 -11.500 0.238 -7.308 1.00 1.00 H new ATOM 0 HB THR A 83 -13.123 2.562 -6.159 1.00 1.00 H new ATOM 0 HG1 THR A 83 -14.604 0.832 -5.579 1.00 1.00 H new ATOM 0 HG21 THR A 83 -14.869 1.803 -7.767 1.00 1.00 H new ATOM 0 HG22 THR A 83 -13.373 2.264 -8.614 1.00 1.00 H new ATOM 0 HG23 THR A 83 -13.765 0.545 -8.372 1.00 1.00 H new ATOM 1353 N LEU A 84 -10.601 1.928 -8.888 1.00 1.00 N ATOM 1354 CA LEU A 84 -9.960 2.872 -9.831 1.00 1.00 C ATOM 1355 C LEU A 84 -10.962 3.312 -10.904 1.00 1.00 C ATOM 1356 O LEU A 84 -11.745 2.514 -11.420 1.00 1.00 O ATOM 1357 CB LEU A 84 -8.734 2.201 -10.495 1.00 1.00 C ATOM 1358 CG LEU A 84 -7.896 3.224 -11.336 1.00 1.00 C ATOM 1359 CD1 LEU A 84 -7.379 4.414 -10.452 1.00 1.00 C ATOM 1360 CD2 LEU A 84 -6.694 2.484 -11.981 1.00 1.00 C ATOM 0 H LEU A 84 -10.792 1.007 -9.283 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.630 3.752 -9.279 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -8.101 1.758 -9.726 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.069 1.388 -11.140 1.00 1.00 H new ATOM 0 HG LEU A 84 -8.539 3.644 -12.109 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -6.802 5.102 -11.070 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.229 4.941 -10.018 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -6.746 4.026 -9.654 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -6.105 3.189 -12.568 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -6.069 2.053 -11.198 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -7.062 1.689 -12.630 1.00 1.00 H new ATOM 1372 N LYS A 85 -10.943 4.597 -11.244 1.00 1.00 N ATOM 1373 CA LYS A 85 -11.846 5.169 -12.274 1.00 1.00 C ATOM 1374 C LYS A 85 -11.094 6.162 -13.163 1.00 1.00 C ATOM 1375 O LYS A 85 -10.017 6.662 -12.837 1.00 1.00 O ATOM 1376 CB LYS A 85 -13.076 5.851 -11.588 1.00 1.00 C ATOM 1377 CG LYS A 85 -14.327 4.924 -11.653 1.00 1.00 C ATOM 1378 CD LYS A 85 -15.518 5.526 -10.835 1.00 1.00 C ATOM 1379 CE LYS A 85 -15.459 5.063 -9.366 1.00 1.00 C ATOM 1380 NZ LYS A 85 -15.754 3.604 -9.328 1.00 1.00 N ATOM 0 H LYS A 85 -10.311 5.279 -10.825 1.00 1.00 H new ATOM 0 HA LYS A 85 -12.208 4.362 -12.910 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -12.839 6.078 -10.549 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.294 6.799 -12.080 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.628 4.787 -12.692 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.074 3.939 -11.261 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -15.483 6.615 -10.880 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -16.464 5.219 -11.281 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -14.475 5.263 -8.943 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -16.182 5.613 -8.764 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -15.954 3.316 -8.349 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -16.582 3.401 -9.925 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -14.933 3.074 -9.684 1.00 1.00 H new ATOM 1394 N ALA A 86 -11.692 6.459 -14.312 1.00 1.00 N ATOM 1395 CA ALA A 86 -11.131 7.389 -15.288 1.00 1.00 C ATOM 1396 C ALA A 86 -11.319 8.831 -14.833 1.00 1.00 C ATOM 1397 O ALA A 86 -12.258 9.163 -14.109 1.00 1.00 O ATOM 1398 CB ALA A 86 -11.820 7.179 -16.649 1.00 1.00 C ATOM 0 H ALA A 86 -12.586 6.059 -14.595 1.00 1.00 H new ATOM 0 HA ALA A 86 -10.062 7.195 -15.381 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -11.403 7.872 -17.379 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -11.656 6.155 -16.986 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -12.890 7.360 -16.547 1.00 1.00 H new ATOM 1404 N LYS A 87 -10.408 9.697 -15.269 1.00 1.00 N ATOM 1405 CA LYS A 87 -10.466 11.113 -14.914 1.00 1.00 C ATOM 1406 C LYS A 87 -11.825 11.715 -15.300 1.00 1.00 C ATOM 1407 O LYS A 87 -12.310 11.554 -16.420 1.00 1.00 O ATOM 1408 CB LYS A 87 -9.332 11.872 -15.640 1.00 1.00 C ATOM 1409 CG LYS A 87 -9.291 13.385 -15.249 1.00 1.00 C ATOM 1410 CD LYS A 87 -8.825 13.576 -13.787 1.00 1.00 C ATOM 1411 CE LYS A 87 -8.685 15.065 -13.455 1.00 1.00 C ATOM 1412 NZ LYS A 87 -8.242 15.194 -12.039 1.00 1.00 N ATOM 0 H LYS A 87 -9.622 9.444 -15.868 1.00 1.00 H new ATOM 0 HA LYS A 87 -10.341 11.209 -13.835 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -8.375 11.410 -15.398 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -9.467 11.780 -16.718 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -8.617 13.918 -15.920 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -10.281 13.823 -15.377 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -9.541 13.112 -13.108 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -7.870 13.073 -13.635 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -7.963 15.536 -14.122 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -9.636 15.577 -13.603 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -8.142 16.200 -11.797 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -8.948 14.756 -11.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -7.327 14.716 -11.917 1.00 1.00 H new ATOM 1426 N GLU A 88 -12.443 12.412 -14.350 1.00 1.00 N ATOM 1427 CA GLU A 88 -13.736 13.042 -14.570 1.00 1.00 C ATOM 1428 C GLU A 88 -14.016 14.047 -13.458 1.00 1.00 C ATOM 1429 O GLU A 88 -15.172 14.380 -13.203 1.00 1.00 O ATOM 1430 CB GLU A 88 -14.837 11.957 -14.624 1.00 1.00 C ATOM 1431 CG GLU A 88 -14.884 11.157 -13.298 1.00 1.00 C ATOM 1432 CD GLU A 88 -15.896 10.016 -13.399 1.00 1.00 C ATOM 1433 OE1 GLU A 88 -15.531 8.973 -13.909 1.00 1.00 O ATOM 1434 OE2 GLU A 88 -17.022 10.208 -12.968 1.00 1.00 O ATOM 0 H GLU A 88 -12.063 12.554 -13.414 1.00 1.00 H new ATOM 0 HA GLU A 88 -13.728 13.576 -15.520 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -15.805 12.423 -14.808 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -14.646 11.280 -15.456 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -13.896 10.756 -13.073 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -15.154 11.819 -12.476 1.00 1.00 H new ATOM 1441 N ASP A 89 -12.966 14.525 -12.799 1.00 1.00 N ATOM 1442 CA ASP A 89 -13.109 15.475 -11.694 1.00 1.00 C ATOM 1443 C ASP A 89 -13.970 16.720 -12.091 1.00 1.00 C ATOM 1444 O ASP A 89 -13.533 17.490 -12.947 1.00 1.00 O ATOM 1445 CB ASP A 89 -11.722 15.939 -11.214 1.00 1.00 C ATOM 1446 CG ASP A 89 -11.853 16.775 -9.936 1.00 1.00 C ATOM 1447 OD1 ASP A 89 -12.066 16.188 -8.888 1.00 1.00 O ATOM 1448 OD2 ASP A 89 -11.754 17.984 -10.034 1.00 1.00 O ATOM 0 H ASP A 89 -12.001 14.271 -13.010 1.00 1.00 H new ATOM 0 HA ASP A 89 -13.628 14.956 -10.888 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -11.086 15.074 -11.027 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -11.238 16.527 -11.994 1.00 1.00 H new ATOM 1453 N PRO A 90 -15.119 16.922 -11.505 1.00 1.00 N ATOM 1454 CA PRO A 90 -15.985 18.105 -11.851 1.00 1.00 C ATOM 1455 C PRO A 90 -15.562 19.359 -11.090 1.00 1.00 C ATOM 1456 O PRO A 90 -15.827 20.483 -11.517 1.00 1.00 O ATOM 1457 CB PRO A 90 -17.392 17.618 -11.436 1.00 1.00 C ATOM 1458 CG PRO A 90 -17.130 16.813 -10.194 1.00 1.00 C ATOM 1459 CD PRO A 90 -15.777 16.105 -10.443 1.00 1.00 C ATOM 0 HA PRO A 90 -15.924 18.398 -12.899 1.00 1.00 H new ATOM 0 HB2 PRO A 90 -18.064 18.453 -11.239 1.00 1.00 H new ATOM 0 HB3 PRO A 90 -17.854 17.014 -12.216 1.00 1.00 H new ATOM 0 HG2 PRO A 90 -17.082 17.453 -9.313 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.926 16.089 -10.019 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.173 16.072 -9.536 1.00 1.00 H new ATOM 0 HD3 PRO A 90 -15.922 15.074 -10.767 1.00 1.00 H new ATOM 1467 N LEU A 91 -14.923 19.155 -9.943 1.00 1.00 N ATOM 1468 CA LEU A 91 -14.483 20.269 -9.092 1.00 1.00 C ATOM 1469 C LEU A 91 -13.454 21.146 -9.804 1.00 1.00 C ATOM 1470 O LEU A 91 -13.522 22.374 -9.726 1.00 1.00 O ATOM 1471 CB LEU A 91 -13.877 19.700 -7.788 1.00 1.00 C ATOM 1472 CG LEU A 91 -14.858 18.698 -7.111 1.00 1.00 C ATOM 1473 CD1 LEU A 91 -14.191 18.110 -5.845 1.00 1.00 C ATOM 1474 CD2 LEU A 91 -16.199 19.393 -6.729 1.00 1.00 C ATOM 0 H LEU A 91 -14.695 18.231 -9.576 1.00 1.00 H new ATOM 0 HA LEU A 91 -15.348 20.892 -8.864 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -12.934 19.199 -8.008 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -13.652 20.515 -7.101 1.00 1.00 H new ATOM 0 HG LEU A 91 -15.083 17.900 -7.818 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -14.874 17.408 -5.367 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -13.274 17.591 -6.124 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -13.955 18.916 -5.150 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -16.863 18.668 -6.258 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -16.001 20.209 -6.034 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -16.672 19.789 -7.627 1.00 1.00 H new ATOM 1486 N GLU A 92 -12.508 20.512 -10.488 1.00 1.00 N ATOM 1487 CA GLU A 92 -11.446 21.247 -11.212 1.00 1.00 C ATOM 1488 C GLU A 92 -11.874 21.503 -12.660 1.00 1.00 C ATOM 1489 O GLU A 92 -12.343 22.590 -12.999 1.00 1.00 O ATOM 1490 CB GLU A 92 -10.133 20.429 -11.179 1.00 1.00 C ATOM 1491 CG GLU A 92 -9.620 20.304 -9.724 1.00 1.00 C ATOM 1492 CD GLU A 92 -8.328 19.487 -9.686 1.00 1.00 C ATOM 1493 OE1 GLU A 92 -8.261 18.489 -10.386 1.00 1.00 O ATOM 1494 OE2 GLU A 92 -7.428 19.868 -8.955 1.00 1.00 O ATOM 0 H GLU A 92 -12.444 19.497 -10.564 1.00 1.00 H new ATOM 0 HA GLU A 92 -11.280 22.208 -10.725 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -10.302 19.438 -11.599 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -9.378 20.913 -11.799 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -9.444 21.295 -9.307 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -10.378 19.827 -9.103 1.00 1.00 H new ATOM 1501 N HIS A 93 -11.716 20.509 -13.526 1.00 1.00 N ATOM 1502 CA HIS A 93 -12.085 20.627 -14.941 1.00 1.00 C ATOM 1503 C HIS A 93 -13.595 20.470 -15.118 1.00 1.00 C ATOM 1504 O HIS A 93 -14.279 19.905 -14.264 1.00 1.00 O ATOM 1505 CB HIS A 93 -11.350 19.543 -15.747 1.00 1.00 C ATOM 1506 CG HIS A 93 -9.869 19.685 -15.531 1.00 1.00 C ATOM 1507 ND1 HIS A 93 -9.189 18.945 -14.581 1.00 1.00 N ATOM 1508 CD2 HIS A 93 -8.928 20.481 -16.134 1.00 1.00 C ATOM 1509 CE1 HIS A 93 -7.895 19.308 -14.634 1.00 1.00 C ATOM 1510 NE2 HIS A 93 -7.682 20.242 -15.566 1.00 1.00 N ATOM 0 H HIS A 93 -11.330 19.599 -13.273 1.00 1.00 H new ATOM 0 HA HIS A 93 -11.798 21.615 -15.302 1.00 1.00 H new ATOM 0 HB2 HIS A 93 -11.682 18.553 -15.434 1.00 1.00 H new ATOM 0 HB3 HIS A 93 -11.586 19.638 -16.807 1.00 1.00 H new ATOM 0 HD2 HIS A 93 -9.125 21.186 -16.928 1.00 1.00 H new ATOM 0 HE1 HIS A 93 -7.123 18.896 -14.001 1.00 1.00 H new ATOM 0 HE2 HIS A 93 -6.795 20.684 -15.808 1.00 1.00 H new ATOM 1519 N HIS A 94 -14.105 20.973 -16.237 1.00 1.00 N ATOM 1520 CA HIS A 94 -15.536 20.906 -16.546 1.00 1.00 C ATOM 1521 C HIS A 94 -15.985 19.452 -16.745 1.00 1.00 C ATOM 1522 O HIS A 94 -15.299 18.648 -17.375 1.00 1.00 O ATOM 1523 CB HIS A 94 -15.838 21.743 -17.827 1.00 1.00 C ATOM 1524 CG HIS A 94 -17.267 22.237 -17.804 1.00 1.00 C ATOM 1525 ND1 HIS A 94 -17.574 23.580 -17.720 1.00 1.00 N ATOM 1526 CD2 HIS A 94 -18.468 21.573 -17.818 1.00 1.00 C ATOM 1527 CE1 HIS A 94 -18.913 23.686 -17.676 1.00 1.00 C ATOM 1528 NE2 HIS A 94 -19.507 22.490 -17.734 1.00 1.00 N ATOM 0 H HIS A 94 -13.546 21.436 -16.953 1.00 1.00 H new ATOM 0 HA HIS A 94 -16.093 21.321 -15.706 1.00 1.00 H new ATOM 0 HB2 HIS A 94 -15.154 22.590 -17.887 1.00 1.00 H new ATOM 0 HB3 HIS A 94 -15.670 21.134 -18.716 1.00 1.00 H new ATOM 0 HD2 HIS A 94 -18.587 20.502 -17.884 1.00 1.00 H new ATOM 0 HE1 HIS A 94 -19.444 24.623 -17.603 1.00 1.00 H new ATOM 0 HE2 HIS A 94 -20.508 22.293 -17.720 1.00 1.00 H new ATOM 1537 N HIS A 95 -17.154 19.115 -16.209 1.00 1.00 N ATOM 1538 CA HIS A 95 -17.703 17.762 -16.324 1.00 1.00 C ATOM 1539 C HIS A 95 -17.823 17.329 -17.793 1.00 1.00 C ATOM 1540 O HIS A 95 -17.165 16.387 -18.233 1.00 1.00 O ATOM 1541 CB HIS A 95 -19.093 17.714 -15.648 1.00 1.00 C ATOM 1542 CG HIS A 95 -19.620 16.302 -15.658 1.00 1.00 C ATOM 1543 ND1 HIS A 95 -20.649 15.899 -16.492 1.00 1.00 N ATOM 1544 CD2 HIS A 95 -19.241 15.184 -14.962 1.00 1.00 C ATOM 1545 CE1 HIS A 95 -20.842 14.582 -16.288 1.00 1.00 C ATOM 1546 NE2 HIS A 95 -20.010 14.098 -15.363 1.00 1.00 N ATOM 0 H HIS A 95 -17.745 19.762 -15.687 1.00 1.00 H new ATOM 0 HA HIS A 95 -17.022 17.072 -15.826 1.00 1.00 H new ATOM 0 HB2 HIS A 95 -19.021 18.077 -14.623 1.00 1.00 H new ATOM 0 HB3 HIS A 95 -19.785 18.373 -16.172 1.00 1.00 H new ATOM 0 HD1 HIS A 95 -21.166 16.491 -17.142 1.00 1.00 H new ATOM 0 HD2 HIS A 95 -18.462 15.152 -14.215 1.00 1.00 H new ATOM 0 HE1 HIS A 95 -21.580 13.990 -16.809 1.00 1.00 H new ATOM 1555 N HIS A 96 -18.671 18.019 -18.550 1.00 1.00 N ATOM 1556 CA HIS A 96 -18.882 17.698 -19.971 1.00 1.00 C ATOM 1557 C HIS A 96 -19.326 18.943 -20.750 1.00 1.00 C ATOM 1558 O HIS A 96 -19.955 19.852 -20.206 1.00 1.00 O ATOM 1559 CB HIS A 96 -19.947 16.591 -20.096 1.00 1.00 C ATOM 1560 CG HIS A 96 -21.255 17.066 -19.508 1.00 1.00 C ATOM 1561 ND1 HIS A 96 -21.306 17.930 -18.427 1.00 1.00 N ATOM 1562 CD2 HIS A 96 -22.558 16.811 -19.850 1.00 1.00 C ATOM 1563 CE1 HIS A 96 -22.602 18.168 -18.161 1.00 1.00 C ATOM 1564 NE2 HIS A 96 -23.409 17.509 -18.999 1.00 1.00 N ATOM 0 H HIS A 96 -19.226 18.804 -18.210 1.00 1.00 H new ATOM 0 HA HIS A 96 -17.941 17.348 -20.394 1.00 1.00 H new ATOM 0 HB2 HIS A 96 -20.085 16.324 -21.144 1.00 1.00 H new ATOM 0 HB3 HIS A 96 -19.611 15.692 -19.579 1.00 1.00 H new ATOM 0 HD2 HIS A 96 -22.875 16.167 -20.657 1.00 1.00 H new ATOM 0 HE1 HIS A 96 -22.949 18.813 -17.367 1.00 1.00 H new ATOM 0 HE2 HIS A 96 -24.429 17.516 -19.012 1.00 1.00 H new ATOM 1573 N HIS A 97 -19.004 18.968 -22.038 1.00 1.00 N ATOM 1574 CA HIS A 97 -19.370 20.090 -22.907 1.00 1.00 C ATOM 1575 C HIS A 97 -20.891 20.135 -23.116 1.00 1.00 C ATOM 1576 O HIS A 97 -21.521 19.125 -23.429 1.00 1.00 O ATOM 1577 CB HIS A 97 -18.652 19.948 -24.267 1.00 1.00 C ATOM 1578 CG HIS A 97 -18.931 21.154 -25.136 1.00 1.00 C ATOM 1579 ND1 HIS A 97 -18.368 22.393 -24.880 1.00 1.00 N ATOM 1580 CD2 HIS A 97 -19.723 21.323 -26.243 1.00 1.00 C ATOM 1581 CE1 HIS A 97 -18.827 23.248 -25.810 1.00 1.00 C ATOM 1582 NE2 HIS A 97 -19.656 22.646 -26.666 1.00 1.00 N ATOM 0 H HIS A 97 -18.489 18.224 -22.509 1.00 1.00 H new ATOM 0 HA HIS A 97 -19.060 21.020 -22.431 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -17.578 19.845 -24.110 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -18.989 19.042 -24.771 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -20.309 20.547 -26.714 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -18.558 24.293 -25.859 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -20.137 23.067 -27.461 1.00 1.00 H new ATOM 1591 N HIS A 98 -21.471 21.318 -22.944 1.00 1.00 N ATOM 1592 CA HIS A 98 -22.914 21.505 -23.119 1.00 1.00 C ATOM 1593 C HIS A 98 -23.295 21.293 -24.587 1.00 1.00 C ATOM 1594 O HIS A 98 -22.399 21.232 -25.412 1.00 1.00 O ATOM 1595 CB HIS A 98 -23.306 22.929 -22.662 1.00 1.00 C ATOM 1596 CG HIS A 98 -24.802 23.124 -22.753 1.00 1.00 C ATOM 1597 ND1 HIS A 98 -25.416 23.581 -23.906 1.00 1.00 N ATOM 1598 CD2 HIS A 98 -25.811 22.915 -21.847 1.00 1.00 C ATOM 1599 CE1 HIS A 98 -26.739 23.633 -23.669 1.00 1.00 C ATOM 1600 NE2 HIS A 98 -27.034 23.236 -22.427 1.00 1.00 N ATOM 1601 OXT HIS A 98 -24.482 21.186 -24.864 1.00 1.00 O ATOM 0 H HIS A 98 -20.966 22.165 -22.683 1.00 1.00 H new ATOM 0 HA HIS A 98 -23.451 20.775 -22.513 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -22.974 23.092 -21.637 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -22.799 23.668 -23.282 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -25.676 22.556 -20.837 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -27.473 23.956 -24.393 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -27.957 23.180 -21.997 1.00 1.00 H new TER 1610 HIS A 98