USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0.296 K(o=-0.15,f=0.36) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0.271 USER MOD Set 1.3: A 112 HIS : no HE2:sc= -0.715 K(o=-0.15,f=-1.2) USER MOD Set 2.1: A 61 SER OG : rot -101:sc= 1.22 USER MOD Set 2.2: A 108 TYR OH : rot 73:sc= 1.28 USER MOD Set 3.1: A 68 HIS : no HE2:sc= -0.0616 K(o=-0.06,f=-6!) USER MOD Set 3.2: A 88 TYR OH : rot 69:sc= 0.00118 USER MOD Set 4.1: A 76 ASN : amide:sc= 0.558 X(o=1.4,f=1.1) USER MOD Set 4.2: A 82 THR OG1 : rot 94:sc= 0.855 USER MOD Set 5.1: A 19 TYR OH : rot 30:sc= 0.26 USER MOD Set 5.2: A 84 SER OG : rot 141:sc= 0.149 USER MOD Set 6.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 34 ASN : amide:sc= -3.97! C(o=-3.5!,f=-1.9!) USER MOD Set 6.3: A 36 ASN : amide:sc= 0.461 K(o=-3.5,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -146:sc=0.000285 USER MOD Single : A 9 ASN : amide:sc= -6.09! K(o=-6.1!,f=-0.56) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 15 GLN : amide:sc= -0.872 K(o=-0.87,f=-0.011) USER MOD Single : A 16 CYS SG : rot -127:sc= 0.232 USER MOD Single : A 17 THR OG1 : rot 168:sc= 0.0529 USER MOD Single : A 21 TYR OH : rot -84:sc= -2.57! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 31 THR OG1 : rot -24:sc= 0.337 USER MOD Single : A 37 ASN : amide:sc= -0.826 K(o=-0.83,f=-0.21) USER MOD Single : A 43 GLN : amide:sc= -0.994 K(o=-0.99,f=-0.3) USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.814 USER MOD Single : A 51 HIS : no HE2:sc= 0.994 K(o=0.99,f=-4.5!) USER MOD Single : A 52 THR OG1 : rot -15:sc= 0.825 USER MOD Single : A 54 SER OG : rot 180:sc= -0.131 USER MOD Single : A 55 LYS NZ :NH3+ -145:sc= -1.16 (180deg=-3.32!) USER MOD Single : A 60 GLN : amide:sc= -1.53! C(o=-1.5!,f=-4.1!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.158 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 80 SER OG : rot 54:sc= 0.85 USER MOD Single : A 86 MET CE :methyl -115:sc= -0.698 (180deg=-0.939) USER MOD Single : A 87 ASN : amide:sc= -2.28! C(o=-2.3!,f=-6.6!) USER MOD Single : A 89 SER OG : rot 132:sc= 0.37 USER MOD Single : A 94 SER OG : rot -99:sc= 1.24 USER MOD Single : A 96 SER OG : rot -145:sc= 2.28 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0213 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 109 ASN : amide:sc= -1.65 K(o=-1.6,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.377 -5.261 8.664 1.00 0.00 N ATOM 2 CA GLY A 1 -17.947 -5.049 7.314 1.00 0.00 C ATOM 3 C GLY A 1 -18.674 -6.276 6.807 1.00 0.00 C ATOM 4 O GLY A 1 -18.061 -7.181 6.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.888 -4.397 8.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.142 -5.485 9.332 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.700 -6.050 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.635 -4.204 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.148 -4.788 6.620 1.00 0.00 H new ATOM 10 N SER A 2 -19.980 -6.316 7.021 1.00 0.00 N ATOM 11 CA SER A 2 -20.800 -7.430 6.571 1.00 0.00 C ATOM 12 C SER A 2 -21.440 -7.098 5.227 1.00 0.00 C ATOM 13 O SER A 2 -21.787 -7.987 4.448 1.00 0.00 O ATOM 14 CB SER A 2 -21.870 -7.741 7.618 1.00 0.00 C ATOM 15 OG SER A 2 -21.274 -7.960 8.889 1.00 0.00 O ATOM 0 H SER A 2 -20.498 -5.584 7.507 1.00 0.00 H new ATOM 0 HA SER A 2 -20.172 -8.312 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.578 -6.915 7.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.435 -8.623 7.318 1.00 0.00 H new ATOM 0 HG SER A 2 -21.972 -8.156 9.548 1.00 0.00 H new ATOM 21 N SER A 3 -21.585 -5.810 4.964 1.00 0.00 N ATOM 22 CA SER A 3 -22.083 -5.338 3.687 1.00 0.00 C ATOM 23 C SER A 3 -21.546 -3.935 3.437 1.00 0.00 C ATOM 24 O SER A 3 -21.004 -3.307 4.350 1.00 0.00 O ATOM 25 CB SER A 3 -23.614 -5.353 3.668 1.00 0.00 C ATOM 26 OG SER A 3 -24.109 -5.318 2.339 1.00 0.00 O ATOM 0 H SER A 3 -21.362 -5.067 5.627 1.00 0.00 H new ATOM 0 HA SER A 3 -21.740 -6.000 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.978 -6.249 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.996 -4.497 4.224 1.00 0.00 H new ATOM 0 HG SER A 3 -25.089 -5.330 2.354 1.00 0.00 H new ATOM 32 N ILE A 4 -21.685 -3.440 2.218 1.00 0.00 N ATOM 33 CA ILE A 4 -21.081 -2.167 1.856 1.00 0.00 C ATOM 34 C ILE A 4 -22.117 -1.050 1.784 1.00 0.00 C ATOM 35 O ILE A 4 -22.827 -0.901 0.787 1.00 0.00 O ATOM 36 CB ILE A 4 -20.325 -2.258 0.512 1.00 0.00 C ATOM 37 CG1 ILE A 4 -19.329 -3.421 0.545 1.00 0.00 C ATOM 38 CG2 ILE A 4 -19.605 -0.946 0.219 1.00 0.00 C ATOM 39 CD1 ILE A 4 -18.622 -3.656 -0.772 1.00 0.00 C ATOM 0 H ILE A 4 -22.206 -3.895 1.468 1.00 0.00 H new ATOM 0 HA ILE A 4 -20.367 -1.929 2.645 1.00 0.00 H new ATOM 0 HB ILE A 4 -21.046 -2.440 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -18.584 -3.228 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -19.856 -4.331 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -19.077 -1.025 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -20.333 -0.136 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -18.890 -0.737 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -17.933 -4.495 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -19.357 -3.881 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -18.065 -2.761 -1.051 1.00 0.00 H new ATOM 51 N SER A 5 -22.216 -0.288 2.860 1.00 0.00 N ATOM 52 CA SER A 5 -23.036 0.912 2.887 1.00 0.00 C ATOM 53 C SER A 5 -22.201 2.064 3.435 1.00 0.00 C ATOM 54 O SER A 5 -22.287 3.196 2.964 1.00 0.00 O ATOM 55 CB SER A 5 -24.286 0.694 3.745 1.00 0.00 C ATOM 56 OG SER A 5 -25.171 1.799 3.649 1.00 0.00 O ATOM 0 H SER A 5 -21.732 -0.482 3.737 1.00 0.00 H new ATOM 0 HA SER A 5 -23.368 1.150 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.797 -0.214 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.996 0.546 4.785 1.00 0.00 H new ATOM 0 HG SER A 5 -25.961 1.634 4.205 1.00 0.00 H new ATOM 62 N HIS A 6 -21.391 1.752 4.434 1.00 0.00 N ATOM 63 CA HIS A 6 -20.412 2.681 4.970 1.00 0.00 C ATOM 64 C HIS A 6 -19.238 1.886 5.517 1.00 0.00 C ATOM 65 O HIS A 6 -19.245 1.466 6.670 1.00 0.00 O ATOM 66 CB HIS A 6 -21.018 3.565 6.066 1.00 0.00 C ATOM 67 CG HIS A 6 -20.074 4.604 6.592 1.00 0.00 C ATOM 68 ND1 HIS A 6 -19.368 4.455 7.764 1.00 0.00 N ATOM 69 CD2 HIS A 6 -19.720 5.813 6.096 1.00 0.00 C ATOM 70 CE1 HIS A 6 -18.621 5.522 7.968 1.00 0.00 C ATOM 71 NE2 HIS A 6 -18.816 6.363 6.972 1.00 0.00 N ATOM 0 H HIS A 6 -21.395 0.843 4.897 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.076 3.344 4.172 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -21.906 4.059 5.672 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.345 2.933 6.891 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -20.081 6.261 5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.961 5.680 8.808 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -18.369 7.274 6.869 1.00 0.00 H new ATOM 80 N SER A 7 -18.255 1.644 4.667 1.00 0.00 N ATOM 81 CA SER A 7 -17.109 0.833 5.042 1.00 0.00 C ATOM 82 C SER A 7 -16.045 1.703 5.701 1.00 0.00 C ATOM 83 O SER A 7 -15.260 1.233 6.528 1.00 0.00 O ATOM 84 CB SER A 7 -16.542 0.139 3.799 1.00 0.00 C ATOM 85 OG SER A 7 -15.514 -0.775 4.136 1.00 0.00 O ATOM 0 H SER A 7 -18.227 1.998 3.711 1.00 0.00 H new ATOM 0 HA SER A 7 -17.423 0.073 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.342 -0.388 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.152 0.888 3.109 1.00 0.00 H new ATOM 0 HG SER A 7 -14.842 -0.789 3.423 1.00 0.00 H new ATOM 91 N GLY A 8 -16.043 2.979 5.348 1.00 0.00 N ATOM 92 CA GLY A 8 -15.018 3.875 5.829 1.00 0.00 C ATOM 93 C GLY A 8 -13.852 3.917 4.871 1.00 0.00 C ATOM 94 O GLY A 8 -12.750 4.330 5.229 1.00 0.00 O ATOM 0 H GLY A 8 -16.736 3.409 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.431 4.876 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.676 3.550 6.812 1.00 0.00 H new ATOM 98 N ASN A 9 -14.108 3.486 3.641 1.00 0.00 N ATOM 99 CA ASN A 9 -13.076 3.388 2.623 1.00 0.00 C ATOM 100 C ASN A 9 -13.594 3.974 1.315 1.00 0.00 C ATOM 101 O ASN A 9 -14.665 3.602 0.838 1.00 0.00 O ATOM 102 CB ASN A 9 -12.671 1.922 2.432 1.00 0.00 C ATOM 103 CG ASN A 9 -11.310 1.737 1.777 1.00 0.00 C ATOM 104 OD1 ASN A 9 -10.622 0.759 2.040 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.908 2.661 0.918 1.00 0.00 N ATOM 0 H ASN A 9 -15.034 3.196 3.325 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.198 3.952 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.666 1.428 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.426 1.423 1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.004 2.569 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.503 3.465 0.719 1.00 0.00 H new ATOM 112 N LEU A 10 -12.826 4.892 0.744 1.00 0.00 N ATOM 113 CA LEU A 10 -13.234 5.607 -0.463 1.00 0.00 C ATOM 114 C LEU A 10 -13.243 4.713 -1.703 1.00 0.00 C ATOM 115 O LEU A 10 -13.933 5.011 -2.674 1.00 0.00 O ATOM 116 CB LEU A 10 -12.297 6.787 -0.709 1.00 0.00 C ATOM 117 CG LEU A 10 -12.245 7.829 0.410 1.00 0.00 C ATOM 118 CD1 LEU A 10 -11.266 8.934 0.051 1.00 0.00 C ATOM 119 CD2 LEU A 10 -13.630 8.406 0.671 1.00 0.00 C ATOM 0 H LEU A 10 -11.909 5.162 1.099 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.254 5.953 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.290 6.402 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.600 7.284 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.902 7.342 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.237 9.670 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.272 8.509 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.585 9.417 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.572 9.145 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.003 8.881 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.308 7.605 0.966 1.00 0.00 H new ATOM 131 N TYR A 11 -12.489 3.623 -1.672 1.00 0.00 N ATOM 132 CA TYR A 11 -12.287 2.814 -2.867 1.00 0.00 C ATOM 133 C TYR A 11 -13.397 1.781 -3.047 1.00 0.00 C ATOM 134 O TYR A 11 -14.342 1.733 -2.261 1.00 0.00 O ATOM 135 CB TYR A 11 -10.921 2.135 -2.815 1.00 0.00 C ATOM 136 CG TYR A 11 -10.119 2.324 -4.081 1.00 0.00 C ATOM 137 CD1 TYR A 11 -9.687 3.588 -4.460 1.00 0.00 C ATOM 138 CD2 TYR A 11 -9.799 1.249 -4.897 1.00 0.00 C ATOM 139 CE1 TYR A 11 -8.957 3.774 -5.616 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.067 1.427 -6.057 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.647 2.692 -6.409 1.00 0.00 C ATOM 142 OH TYR A 11 -7.915 2.877 -7.558 1.00 0.00 O ATOM 0 H TYR A 11 -12.010 3.280 -0.839 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.321 3.478 -3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.356 2.531 -1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.058 1.069 -2.634 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.926 4.439 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.127 0.257 -4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.630 4.764 -5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -8.826 0.580 -6.683 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.781 2.014 -8.003 1.00 0.00 H new ATOM 152 N THR A 12 -13.256 0.963 -4.086 1.00 0.00 N ATOM 153 CA THR A 12 -14.278 0.004 -4.497 1.00 0.00 C ATOM 154 C THR A 12 -14.599 -1.019 -3.397 1.00 0.00 C ATOM 155 O THR A 12 -15.467 -0.783 -2.552 1.00 0.00 O ATOM 156 CB THR A 12 -13.807 -0.733 -5.766 1.00 0.00 C ATOM 157 OG1 THR A 12 -13.103 0.184 -6.614 1.00 0.00 O ATOM 158 CG2 THR A 12 -14.973 -1.339 -6.532 1.00 0.00 C ATOM 0 H THR A 12 -12.421 0.947 -4.672 1.00 0.00 H new ATOM 0 HA THR A 12 -15.192 0.563 -4.697 1.00 0.00 H new ATOM 0 HB THR A 12 -13.150 -1.546 -5.459 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.801 -0.283 -7.421 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.599 -1.850 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.495 -2.053 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 12 -15.662 -0.549 -6.831 1.00 0.00 H new ATOM 166 N ALA A 13 -13.893 -2.148 -3.413 1.00 0.00 N ATOM 167 CA ALA A 13 -14.113 -3.219 -2.455 1.00 0.00 C ATOM 168 C ALA A 13 -13.087 -4.325 -2.652 1.00 0.00 C ATOM 169 O ALA A 13 -13.091 -5.006 -3.674 1.00 0.00 O ATOM 170 CB ALA A 13 -15.521 -3.788 -2.586 1.00 0.00 C ATOM 0 H ALA A 13 -13.155 -2.342 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.001 -2.803 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.660 -4.587 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.251 -2.999 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.661 -4.185 -3.592 1.00 0.00 H new ATOM 176 N GLY A 14 -12.197 -4.479 -1.681 1.00 0.00 N ATOM 177 CA GLY A 14 -11.181 -5.515 -1.754 1.00 0.00 C ATOM 178 C GLY A 14 -10.152 -5.241 -2.829 1.00 0.00 C ATOM 179 O GLY A 14 -9.524 -6.164 -3.343 1.00 0.00 O ATOM 0 H GLY A 14 -12.159 -3.903 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.681 -5.598 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.659 -6.475 -1.949 1.00 0.00 H new ATOM 183 N GLN A 15 -9.982 -3.970 -3.164 1.00 0.00 N ATOM 184 CA GLN A 15 -9.032 -3.569 -4.195 1.00 0.00 C ATOM 185 C GLN A 15 -7.650 -3.366 -3.578 1.00 0.00 C ATOM 186 O GLN A 15 -7.486 -3.499 -2.363 1.00 0.00 O ATOM 187 CB GLN A 15 -9.503 -2.280 -4.875 1.00 0.00 C ATOM 188 CG GLN A 15 -10.959 -2.318 -5.315 1.00 0.00 C ATOM 189 CD GLN A 15 -11.226 -3.293 -6.447 1.00 0.00 C ATOM 190 OE1 GLN A 15 -12.293 -3.900 -6.510 1.00 0.00 O ATOM 191 NE2 GLN A 15 -10.295 -3.405 -7.376 1.00 0.00 N ATOM 0 H GLN A 15 -10.490 -3.196 -2.736 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.971 -4.357 -4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.362 -1.445 -4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.875 -2.088 -5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.581 -2.586 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.261 -1.319 -5.628 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.422 -2.885 -7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.449 -4.012 -8.181 1.00 0.00 H new ATOM 200 N CYS A 16 -6.668 -3.018 -4.407 1.00 0.00 N ATOM 201 CA CYS A 16 -5.287 -2.883 -3.944 1.00 0.00 C ATOM 202 C CYS A 16 -5.159 -1.792 -2.884 1.00 0.00 C ATOM 203 O CYS A 16 -4.763 -2.058 -1.750 1.00 0.00 O ATOM 204 CB CYS A 16 -4.359 -2.599 -5.128 1.00 0.00 C ATOM 205 SG CYS A 16 -4.975 -1.330 -6.260 1.00 0.00 S ATOM 0 H CYS A 16 -6.801 -2.825 -5.400 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.991 -3.825 -3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.386 -2.290 -4.747 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.204 -3.523 -5.685 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.982 -1.797 -7.473 1.00 0.00 H new ATOM 211 N THR A 17 -5.529 -0.574 -3.248 1.00 0.00 N ATOM 212 CA THR A 17 -5.447 0.556 -2.336 1.00 0.00 C ATOM 213 C THR A 17 -6.534 0.468 -1.266 1.00 0.00 C ATOM 214 O THR A 17 -6.416 1.055 -0.191 1.00 0.00 O ATOM 215 CB THR A 17 -5.582 1.883 -3.105 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.787 1.874 -3.873 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.405 2.103 -4.038 1.00 0.00 C ATOM 0 H THR A 17 -5.891 -0.342 -4.173 1.00 0.00 H new ATOM 0 HA THR A 17 -4.472 0.525 -1.850 1.00 0.00 H new ATOM 0 HB THR A 17 -5.604 2.692 -2.375 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.974 2.779 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.531 3.048 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.482 2.131 -3.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.356 1.288 -4.760 1.00 0.00 H new ATOM 225 N TRP A 18 -7.585 -0.284 -1.568 1.00 0.00 N ATOM 226 CA TRP A 18 -8.687 -0.474 -0.639 1.00 0.00 C ATOM 227 C TRP A 18 -8.202 -1.238 0.589 1.00 0.00 C ATOM 228 O TRP A 18 -8.345 -0.776 1.719 1.00 0.00 O ATOM 229 CB TRP A 18 -9.822 -1.236 -1.329 1.00 0.00 C ATOM 230 CG TRP A 18 -11.106 -1.275 -0.554 1.00 0.00 C ATOM 231 CD1 TRP A 18 -12.161 -0.421 -0.684 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.474 -2.215 0.467 1.00 0.00 C ATOM 233 NE1 TRP A 18 -13.166 -0.777 0.182 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.768 -1.871 0.904 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.838 -3.313 1.055 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.436 -2.586 1.895 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.502 -4.020 2.039 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.787 -3.654 2.451 1.00 0.00 C ATOM 0 H TRP A 18 -7.696 -0.774 -2.456 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.062 0.498 -0.320 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -10.012 -0.779 -2.300 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.495 -2.259 -1.517 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.201 0.414 -1.368 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -14.065 -0.303 0.273 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.845 -3.603 0.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.430 -2.307 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.020 -4.870 2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.277 -4.227 3.224 1.00 0.00 H new ATOM 249 N TYR A 19 -7.596 -2.398 0.350 1.00 0.00 N ATOM 250 CA TYR A 19 -7.087 -3.236 1.430 1.00 0.00 C ATOM 251 C TYR A 19 -6.073 -2.467 2.271 1.00 0.00 C ATOM 252 O TYR A 19 -6.067 -2.561 3.498 1.00 0.00 O ATOM 253 CB TYR A 19 -6.454 -4.500 0.845 1.00 0.00 C ATOM 254 CG TYR A 19 -5.745 -5.374 1.856 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.454 -6.116 2.794 1.00 0.00 C ATOM 256 CD2 TYR A 19 -4.361 -5.460 1.861 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.797 -6.917 3.709 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.700 -6.259 2.769 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.420 -6.986 3.690 1.00 0.00 C ATOM 260 OH TYR A 19 -3.757 -7.780 4.597 1.00 0.00 O ATOM 0 H TYR A 19 -7.446 -2.779 -0.584 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.915 -3.522 2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.232 -5.088 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.742 -4.210 0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.533 -6.066 2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.791 -4.891 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.359 -7.486 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.621 -6.315 2.758 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.322 -8.544 4.837 1.00 0.00 H new ATOM 270 N VAL A 20 -5.226 -1.705 1.597 1.00 0.00 N ATOM 271 CA VAL A 20 -4.246 -0.863 2.267 1.00 0.00 C ATOM 272 C VAL A 20 -4.921 0.121 3.226 1.00 0.00 C ATOM 273 O VAL A 20 -4.558 0.204 4.401 1.00 0.00 O ATOM 274 CB VAL A 20 -3.403 -0.077 1.240 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.509 0.935 1.934 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.576 -1.027 0.392 1.00 0.00 C ATOM 0 H VAL A 20 -5.198 -1.652 0.579 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.593 -1.522 2.840 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.085 0.466 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.925 1.476 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.124 1.639 2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.835 0.417 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.988 -0.456 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.907 -1.600 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.238 -1.709 -0.142 1.00 0.00 H new ATOM 286 N TYR A 21 -5.916 0.844 2.721 1.00 0.00 N ATOM 287 CA TYR A 21 -6.598 1.876 3.492 1.00 0.00 C ATOM 288 C TYR A 21 -7.288 1.282 4.720 1.00 0.00 C ATOM 289 O TYR A 21 -7.252 1.858 5.811 1.00 0.00 O ATOM 290 CB TYR A 21 -7.618 2.583 2.601 1.00 0.00 C ATOM 291 CG TYR A 21 -8.141 3.877 3.166 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.315 4.981 3.281 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.462 4.001 3.569 1.00 0.00 C ATOM 294 CE1 TYR A 21 -7.788 6.175 3.780 1.00 0.00 C ATOM 295 CE2 TYR A 21 -9.943 5.190 4.072 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.102 6.276 4.176 1.00 0.00 C ATOM 297 OH TYR A 21 -9.573 7.469 4.664 1.00 0.00 O ATOM 0 H TYR A 21 -6.270 0.731 1.771 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.859 2.596 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.161 2.782 1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.458 1.911 2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.282 4.906 2.974 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.124 3.152 3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.130 7.028 3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -10.974 5.270 4.383 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.358 7.540 5.617 1.00 0.00 H new ATOM 307 N ASP A 22 -7.906 0.125 4.535 1.00 0.00 N ATOM 308 CA ASP A 22 -8.580 -0.575 5.625 1.00 0.00 C ATOM 309 C ASP A 22 -7.593 -0.961 6.725 1.00 0.00 C ATOM 310 O ASP A 22 -7.828 -0.707 7.910 1.00 0.00 O ATOM 311 CB ASP A 22 -9.277 -1.830 5.093 1.00 0.00 C ATOM 312 CG ASP A 22 -9.898 -2.670 6.194 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.055 -2.402 6.586 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.230 -3.613 6.675 1.00 0.00 O ATOM 0 H ASP A 22 -7.956 -0.354 3.636 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.323 0.100 6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.052 -1.537 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.556 -2.435 4.544 1.00 0.00 H new ATOM 319 N LYS A 23 -6.477 -1.552 6.321 1.00 0.00 N ATOM 320 CA LYS A 23 -5.489 -2.064 7.268 1.00 0.00 C ATOM 321 C LYS A 23 -4.799 -0.948 8.048 1.00 0.00 C ATOM 322 O LYS A 23 -4.434 -1.135 9.209 1.00 0.00 O ATOM 323 CB LYS A 23 -4.446 -2.916 6.542 1.00 0.00 C ATOM 324 CG LYS A 23 -5.029 -4.164 5.901 1.00 0.00 C ATOM 325 CD LYS A 23 -5.594 -5.122 6.939 1.00 0.00 C ATOM 326 CE LYS A 23 -4.492 -5.843 7.696 1.00 0.00 C ATOM 327 NZ LYS A 23 -5.038 -6.715 8.768 1.00 0.00 N ATOM 0 H LYS A 23 -6.230 -1.690 5.341 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.027 -2.681 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.965 -2.312 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.670 -3.208 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.816 -3.880 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.256 -4.670 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.218 -4.570 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.237 -5.853 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.907 -6.445 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.813 -5.111 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.255 -7.190 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.575 -6.137 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.666 -7.429 8.348 1.00 0.00 H new ATOM 341 N VAL A 24 -4.624 0.213 7.426 1.00 0.00 N ATOM 342 CA VAL A 24 -3.943 1.325 8.086 1.00 0.00 C ATOM 343 C VAL A 24 -4.887 2.084 9.018 1.00 0.00 C ATOM 344 O VAL A 24 -4.486 3.046 9.671 1.00 0.00 O ATOM 345 CB VAL A 24 -3.312 2.308 7.077 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.275 1.602 6.220 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.375 2.961 6.210 1.00 0.00 C ATOM 0 H VAL A 24 -4.940 0.409 6.476 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.140 0.882 8.675 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.813 3.096 7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.842 2.311 5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.489 1.199 6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.749 0.789 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.901 3.648 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.915 2.193 5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.072 3.511 6.842 1.00 0.00 H new ATOM 357 N GLY A 25 -6.145 1.660 9.065 1.00 0.00 N ATOM 358 CA GLY A 25 -7.088 2.253 9.997 1.00 0.00 C ATOM 359 C GLY A 25 -7.900 3.376 9.385 1.00 0.00 C ATOM 360 O GLY A 25 -8.775 3.941 10.038 1.00 0.00 O ATOM 0 H GLY A 25 -6.528 0.920 8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.765 1.480 10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.545 2.635 10.861 1.00 0.00 H new ATOM 364 N GLY A 26 -7.605 3.705 8.137 1.00 0.00 N ATOM 365 CA GLY A 26 -8.350 4.741 7.447 1.00 0.00 C ATOM 366 C GLY A 26 -7.960 6.148 7.865 1.00 0.00 C ATOM 367 O GLY A 26 -8.639 7.111 7.511 1.00 0.00 O ATOM 0 H GLY A 26 -6.862 3.273 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.197 4.634 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.414 4.597 7.633 1.00 0.00 H new ATOM 371 N GLU A 27 -6.880 6.280 8.626 1.00 0.00 N ATOM 372 CA GLU A 27 -6.397 7.601 9.023 1.00 0.00 C ATOM 373 C GLU A 27 -5.583 8.217 7.890 1.00 0.00 C ATOM 374 O GLU A 27 -5.532 9.435 7.722 1.00 0.00 O ATOM 375 CB GLU A 27 -5.530 7.503 10.282 1.00 0.00 C ATOM 376 CG GLU A 27 -5.130 8.852 10.862 1.00 0.00 C ATOM 377 CD GLU A 27 -6.318 9.632 11.393 1.00 0.00 C ATOM 378 OE1 GLU A 27 -6.758 9.343 12.524 1.00 0.00 O ATOM 379 OE2 GLU A 27 -6.819 10.530 10.681 1.00 0.00 O ATOM 0 H GLU A 27 -6.326 5.499 8.978 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.259 8.233 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.071 6.938 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.628 6.938 10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.411 8.699 11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.628 9.440 10.094 1.00 0.00 H new ATOM 386 N ILE A 28 -4.960 7.362 7.103 1.00 0.00 N ATOM 387 CA ILE A 28 -4.062 7.806 6.059 1.00 0.00 C ATOM 388 C ILE A 28 -4.553 7.371 4.686 1.00 0.00 C ATOM 389 O ILE A 28 -4.909 6.214 4.490 1.00 0.00 O ATOM 390 CB ILE A 28 -2.610 7.291 6.314 1.00 0.00 C ATOM 391 CG1 ILE A 28 -1.908 6.872 5.005 1.00 0.00 C ATOM 392 CG2 ILE A 28 -2.610 6.142 7.319 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.025 5.393 4.663 1.00 0.00 C ATOM 0 H ILE A 28 -5.061 6.349 7.169 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.046 8.896 6.080 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.043 8.121 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.325 7.455 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.852 7.132 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.588 5.800 7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.031 6.485 8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.211 5.319 6.931 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.502 5.193 3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.581 4.799 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.076 5.127 4.554 1.00 0.00 H new ATOM 405 N GLY A 29 -4.606 8.318 3.757 1.00 0.00 N ATOM 406 CA GLY A 29 -4.765 7.968 2.363 1.00 0.00 C ATOM 407 C GLY A 29 -6.131 8.249 1.788 1.00 0.00 C ATOM 408 O GLY A 29 -6.478 7.722 0.731 1.00 0.00 O ATOM 0 H GLY A 29 -4.542 9.318 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.023 8.513 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.548 6.907 2.243 1.00 0.00 H new ATOM 412 N SER A 30 -6.900 9.094 2.443 1.00 0.00 N ATOM 413 CA SER A 30 -8.224 9.449 1.951 1.00 0.00 C ATOM 414 C SER A 30 -8.135 10.465 0.808 1.00 0.00 C ATOM 415 O SER A 30 -8.916 11.414 0.755 1.00 0.00 O ATOM 416 CB SER A 30 -9.054 10.014 3.102 1.00 0.00 C ATOM 417 OG SER A 30 -8.309 10.958 3.854 1.00 0.00 O ATOM 0 H SER A 30 -6.636 9.550 3.316 1.00 0.00 H new ATOM 0 HA SER A 30 -8.705 8.553 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.953 10.487 2.708 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.380 9.202 3.752 1.00 0.00 H new ATOM 0 HG SER A 30 -8.863 11.306 4.583 1.00 0.00 H new ATOM 423 N THR A 31 -7.205 10.248 -0.123 1.00 0.00 N ATOM 424 CA THR A 31 -6.955 11.228 -1.171 1.00 0.00 C ATOM 425 C THR A 31 -5.881 10.774 -2.175 1.00 0.00 C ATOM 426 O THR A 31 -5.691 11.418 -3.204 1.00 0.00 O ATOM 427 CB THR A 31 -6.516 12.567 -0.535 1.00 0.00 C ATOM 428 OG1 THR A 31 -6.328 13.573 -1.531 1.00 0.00 O ATOM 429 CG2 THR A 31 -5.231 12.391 0.260 1.00 0.00 C ATOM 0 H THR A 31 -6.621 9.413 -0.170 1.00 0.00 H new ATOM 0 HA THR A 31 -7.888 11.345 -1.722 1.00 0.00 H new ATOM 0 HB THR A 31 -7.312 12.886 0.139 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.139 13.148 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.941 13.346 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.391 11.661 1.053 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.439 12.040 -0.402 1.00 0.00 H new ATOM 437 N TRP A 32 -5.202 9.657 -1.902 1.00 0.00 N ATOM 438 CA TRP A 32 -4.016 9.291 -2.688 1.00 0.00 C ATOM 439 C TRP A 32 -4.360 8.873 -4.130 1.00 0.00 C ATOM 440 O TRP A 32 -3.483 8.835 -4.996 1.00 0.00 O ATOM 441 CB TRP A 32 -3.205 8.187 -1.990 1.00 0.00 C ATOM 442 CG TRP A 32 -3.924 6.883 -1.883 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.662 6.292 -2.849 1.00 0.00 C ATOM 444 CD2 TRP A 32 -3.944 5.997 -0.767 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.180 5.122 -2.413 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.750 4.901 -1.126 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.367 6.027 0.499 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -4.995 3.843 -0.257 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.610 4.976 1.364 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.417 3.897 0.982 1.00 0.00 C ATOM 0 H TRP A 32 -5.444 9.001 -1.159 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.404 10.191 -2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.274 8.034 -2.536 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -2.936 8.525 -0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.817 6.700 -3.837 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.789 4.505 -2.950 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.742 6.855 0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.618 3.010 -0.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.170 4.987 2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.587 3.091 1.680 1.00 0.00 H new ATOM 461 N GLY A 33 -5.621 8.546 -4.383 1.00 0.00 N ATOM 462 CA GLY A 33 -5.998 8.063 -5.695 1.00 0.00 C ATOM 463 C GLY A 33 -5.782 6.571 -5.850 1.00 0.00 C ATOM 464 O GLY A 33 -6.496 5.761 -5.256 1.00 0.00 O ATOM 0 H GLY A 33 -6.383 8.606 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.047 8.295 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.419 8.591 -6.453 1.00 0.00 H new ATOM 468 N ASN A 34 -4.782 6.215 -6.641 1.00 0.00 N ATOM 469 CA ASN A 34 -4.423 4.833 -6.874 1.00 0.00 C ATOM 470 C ASN A 34 -2.921 4.671 -6.649 1.00 0.00 C ATOM 471 O ASN A 34 -2.212 5.666 -6.499 1.00 0.00 O ATOM 472 CB ASN A 34 -4.844 4.449 -8.298 1.00 0.00 C ATOM 473 CG ASN A 34 -4.223 3.170 -8.814 1.00 0.00 C ATOM 474 OD1 ASN A 34 -4.723 2.071 -8.580 1.00 0.00 O ATOM 475 ND2 ASN A 34 -3.126 3.321 -9.533 1.00 0.00 N ATOM 0 H ASN A 34 -4.196 6.884 -7.140 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.937 4.165 -6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.929 4.349 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.581 5.263 -8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.655 2.504 -9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.750 4.254 -9.699 1.00 0.00 H new ATOM 482 N ALA A 35 -2.447 3.432 -6.656 1.00 0.00 N ATOM 483 CA ALA A 35 -1.079 3.099 -6.270 1.00 0.00 C ATOM 484 C ALA A 35 -0.022 3.965 -6.959 1.00 0.00 C ATOM 485 O ALA A 35 0.852 4.517 -6.300 1.00 0.00 O ATOM 486 CB ALA A 35 -0.815 1.632 -6.561 1.00 0.00 C ATOM 0 H ALA A 35 -3.004 2.623 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.994 3.302 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.206 1.382 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.513 1.017 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.948 1.443 -7.626 1.00 0.00 H new ATOM 492 N ASN A 36 -0.113 4.119 -8.271 1.00 0.00 N ATOM 493 CA ASN A 36 0.968 4.759 -9.023 1.00 0.00 C ATOM 494 C ASN A 36 0.899 6.283 -8.926 1.00 0.00 C ATOM 495 O ASN A 36 1.773 6.984 -9.429 1.00 0.00 O ATOM 496 CB ASN A 36 0.963 4.313 -10.492 1.00 0.00 C ATOM 497 CG ASN A 36 -0.201 4.868 -11.286 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.279 5.134 -10.747 1.00 0.00 O ATOM 499 ND2 ASN A 36 0.005 5.034 -12.582 1.00 0.00 N ATOM 0 H ASN A 36 -0.908 3.817 -8.834 1.00 0.00 H new ATOM 0 HA ASN A 36 1.906 4.438 -8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.895 4.626 -10.962 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.935 3.224 -10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.743 5.394 -13.175 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.911 4.802 -12.988 1.00 0.00 H new ATOM 506 N ASN A 37 -0.127 6.789 -8.256 1.00 0.00 N ATOM 507 CA ASN A 37 -0.276 8.226 -8.048 1.00 0.00 C ATOM 508 C ASN A 37 -0.100 8.540 -6.563 1.00 0.00 C ATOM 509 O ASN A 37 -0.311 9.667 -6.114 1.00 0.00 O ATOM 510 CB ASN A 37 -1.653 8.692 -8.552 1.00 0.00 C ATOM 511 CG ASN A 37 -1.817 10.206 -8.569 1.00 0.00 C ATOM 512 OD1 ASN A 37 -1.394 10.877 -9.513 1.00 0.00 O ATOM 513 ND2 ASN A 37 -2.465 10.748 -7.550 1.00 0.00 N ATOM 0 H ASN A 37 -0.871 6.225 -7.845 1.00 0.00 H new ATOM 0 HA ASN A 37 0.487 8.762 -8.613 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.811 8.307 -9.559 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.428 8.258 -7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.630 11.754 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.800 10.159 -6.787 1.00 0.00 H new ATOM 520 N TRP A 38 0.329 7.525 -5.816 1.00 0.00 N ATOM 521 CA TRP A 38 0.443 7.612 -4.367 1.00 0.00 C ATOM 522 C TRP A 38 1.266 8.807 -3.913 1.00 0.00 C ATOM 523 O TRP A 38 0.733 9.715 -3.284 1.00 0.00 O ATOM 524 CB TRP A 38 1.052 6.333 -3.807 1.00 0.00 C ATOM 525 CG TRP A 38 0.056 5.515 -3.070 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.215 5.228 -3.457 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.254 4.884 -1.810 1.00 0.00 C ATOM 528 NE1 TRP A 38 -1.832 4.466 -2.508 1.00 0.00 N ATOM 529 CE2 TRP A 38 -0.952 4.247 -1.472 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.333 4.805 -0.932 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.101 3.542 -0.279 1.00 0.00 C ATOM 532 CZ3 TRP A 38 1.183 4.107 0.239 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.027 3.491 0.559 1.00 0.00 C ATOM 0 H TRP A 38 0.606 6.622 -6.200 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.568 7.745 -3.982 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.471 5.744 -4.623 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.876 6.586 -3.141 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.670 5.555 -4.380 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.789 4.116 -2.558 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.271 5.285 -1.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.032 3.055 -0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.015 4.033 0.924 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.115 2.960 1.495 1.00 0.00 H new ATOM 544 N ALA A 39 2.553 8.806 -4.241 1.00 0.00 N ATOM 545 CA ALA A 39 3.474 9.837 -3.766 1.00 0.00 C ATOM 546 C ALA A 39 2.946 11.245 -4.040 1.00 0.00 C ATOM 547 O ALA A 39 3.057 12.133 -3.200 1.00 0.00 O ATOM 548 CB ALA A 39 4.842 9.650 -4.401 1.00 0.00 C ATOM 0 H ALA A 39 2.986 8.100 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 39 3.562 9.728 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.520 10.424 -4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.236 8.669 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.753 9.723 -5.485 1.00 0.00 H new ATOM 554 N ALA A 40 2.340 11.429 -5.201 1.00 0.00 N ATOM 555 CA ALA A 40 1.844 12.736 -5.610 1.00 0.00 C ATOM 556 C ALA A 40 0.663 13.184 -4.751 1.00 0.00 C ATOM 557 O ALA A 40 0.650 14.299 -4.224 1.00 0.00 O ATOM 558 CB ALA A 40 1.448 12.696 -7.074 1.00 0.00 C ATOM 0 H ALA A 40 2.178 10.687 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 40 2.644 13.463 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.077 13.675 -7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.316 12.433 -7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.666 11.951 -7.219 1.00 0.00 H new ATOM 564 N ALA A 41 -0.321 12.310 -4.604 1.00 0.00 N ATOM 565 CA ALA A 41 -1.533 12.643 -3.865 1.00 0.00 C ATOM 566 C ALA A 41 -1.293 12.615 -2.353 1.00 0.00 C ATOM 567 O ALA A 41 -1.838 13.436 -1.614 1.00 0.00 O ATOM 568 CB ALA A 41 -2.653 11.693 -4.250 1.00 0.00 C ATOM 0 H ALA A 41 -0.306 11.364 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.825 13.659 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.555 11.949 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.850 11.777 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.359 10.670 -4.015 1.00 0.00 H new ATOM 574 N ALA A 42 -0.473 11.669 -1.909 1.00 0.00 N ATOM 575 CA ALA A 42 -0.140 11.524 -0.495 1.00 0.00 C ATOM 576 C ALA A 42 0.582 12.762 0.031 1.00 0.00 C ATOM 577 O ALA A 42 0.226 13.304 1.079 1.00 0.00 O ATOM 578 CB ALA A 42 0.728 10.295 -0.296 1.00 0.00 C ATOM 0 H ALA A 42 -0.022 10.984 -2.515 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.068 11.410 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.974 10.191 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.188 9.410 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.646 10.401 -0.874 1.00 0.00 H new ATOM 584 N GLN A 43 1.599 13.209 -0.701 1.00 0.00 N ATOM 585 CA GLN A 43 2.367 14.387 -0.306 1.00 0.00 C ATOM 586 C GLN A 43 1.492 15.635 -0.327 1.00 0.00 C ATOM 587 O GLN A 43 1.743 16.594 0.408 1.00 0.00 O ATOM 588 CB GLN A 43 3.582 14.573 -1.217 1.00 0.00 C ATOM 589 CG GLN A 43 4.641 13.497 -1.029 1.00 0.00 C ATOM 590 CD GLN A 43 5.824 13.650 -1.969 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.953 13.296 -1.625 1.00 0.00 O ATOM 592 NE2 GLN A 43 5.577 14.158 -3.167 1.00 0.00 N ATOM 0 H GLN A 43 1.910 12.774 -1.570 1.00 0.00 H new ATOM 0 HA GLN A 43 2.721 14.232 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.253 14.572 -2.256 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.027 15.549 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.998 13.524 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.187 12.518 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.629 14.440 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.335 14.267 -3.841 1.00 0.00 H new ATOM 601 N GLY A 44 0.454 15.608 -1.157 1.00 0.00 N ATOM 602 CA GLY A 44 -0.486 16.711 -1.208 1.00 0.00 C ATOM 603 C GLY A 44 -1.295 16.825 0.067 1.00 0.00 C ATOM 604 O GLY A 44 -1.758 17.905 0.426 1.00 0.00 O ATOM 0 H GLY A 44 0.248 14.840 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.056 17.641 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.160 16.575 -2.054 1.00 0.00 H new ATOM 608 N ALA A 45 -1.455 15.702 0.755 1.00 0.00 N ATOM 609 CA ALA A 45 -2.181 15.670 2.016 1.00 0.00 C ATOM 610 C ALA A 45 -1.246 15.969 3.182 1.00 0.00 C ATOM 611 O ALA A 45 -1.681 16.141 4.322 1.00 0.00 O ATOM 612 CB ALA A 45 -2.844 14.317 2.203 1.00 0.00 C ATOM 0 H ALA A 45 -1.089 14.797 0.458 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.953 16.439 1.991 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.384 14.304 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.541 14.137 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.083 13.537 2.209 1.00 0.00 H new ATOM 618 N GLY A 46 0.047 16.024 2.890 1.00 0.00 N ATOM 619 CA GLY A 46 1.028 16.304 3.917 1.00 0.00 C ATOM 620 C GLY A 46 1.629 15.047 4.512 1.00 0.00 C ATOM 621 O GLY A 46 2.093 15.060 5.654 1.00 0.00 O ATOM 0 H GLY A 46 0.433 15.879 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.824 16.918 3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.561 16.889 4.710 1.00 0.00 H new ATOM 625 N PHE A 47 1.618 13.955 3.753 1.00 0.00 N ATOM 626 CA PHE A 47 2.228 12.709 4.213 1.00 0.00 C ATOM 627 C PHE A 47 3.743 12.797 4.105 1.00 0.00 C ATOM 628 O PHE A 47 4.279 13.602 3.341 1.00 0.00 O ATOM 629 CB PHE A 47 1.755 11.502 3.396 1.00 0.00 C ATOM 630 CG PHE A 47 0.298 11.153 3.539 1.00 0.00 C ATOM 631 CD1 PHE A 47 -0.579 11.960 4.245 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.192 10.008 2.939 1.00 0.00 C ATOM 633 CE1 PHE A 47 -1.916 11.627 4.348 1.00 0.00 C ATOM 634 CE2 PHE A 47 -1.524 9.669 3.031 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.388 10.481 3.737 1.00 0.00 C ATOM 0 H PHE A 47 1.198 13.906 2.825 1.00 0.00 H new ATOM 0 HA PHE A 47 1.923 12.571 5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.963 11.694 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.348 10.635 3.685 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.214 12.859 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.481 9.368 2.388 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.590 12.261 4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.890 8.772 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.433 10.221 3.812 1.00 0.00 H new ATOM 645 N THR A 48 4.425 11.962 4.862 1.00 0.00 N ATOM 646 CA THR A 48 5.870 11.912 4.835 1.00 0.00 C ATOM 647 C THR A 48 6.345 10.728 3.991 1.00 0.00 C ATOM 648 O THR A 48 6.107 9.567 4.340 1.00 0.00 O ATOM 649 CB THR A 48 6.429 11.791 6.263 1.00 0.00 C ATOM 650 OG1 THR A 48 5.714 12.677 7.142 1.00 0.00 O ATOM 651 CG2 THR A 48 7.911 12.133 6.296 1.00 0.00 C ATOM 0 H THR A 48 3.994 11.302 5.510 1.00 0.00 H new ATOM 0 HA THR A 48 6.237 12.836 4.389 1.00 0.00 H new ATOM 0 HB THR A 48 6.302 10.760 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.860 12.268 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.283 12.040 7.316 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.457 11.448 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.056 13.156 5.948 1.00 0.00 H new ATOM 659 N VAL A 49 6.989 11.025 2.871 1.00 0.00 N ATOM 660 CA VAL A 49 7.468 9.993 1.962 1.00 0.00 C ATOM 661 C VAL A 49 8.992 9.931 1.968 1.00 0.00 C ATOM 662 O VAL A 49 9.660 10.913 1.650 1.00 0.00 O ATOM 663 CB VAL A 49 6.982 10.244 0.520 1.00 0.00 C ATOM 664 CG1 VAL A 49 7.404 9.104 -0.396 1.00 0.00 C ATOM 665 CG2 VAL A 49 5.473 10.436 0.486 1.00 0.00 C ATOM 0 H VAL A 49 7.193 11.978 2.569 1.00 0.00 H new ATOM 0 HA VAL A 49 7.062 9.044 2.313 1.00 0.00 H new ATOM 0 HB VAL A 49 7.448 11.160 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.051 9.301 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.491 9.024 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.972 8.170 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.152 10.612 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.984 9.542 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.201 11.293 1.103 1.00 0.00 H new ATOM 675 N ASN A 50 9.535 8.777 2.339 1.00 0.00 N ATOM 676 CA ASN A 50 10.987 8.591 2.393 1.00 0.00 C ATOM 677 C ASN A 50 11.395 7.368 1.589 1.00 0.00 C ATOM 678 O ASN A 50 12.569 7.007 1.545 1.00 0.00 O ATOM 679 CB ASN A 50 11.454 8.409 3.839 1.00 0.00 C ATOM 680 CG ASN A 50 10.977 9.501 4.771 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.884 10.671 4.396 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.644 9.113 5.991 1.00 0.00 N ATOM 0 H ASN A 50 8.995 7.954 2.607 1.00 0.00 H new ATOM 0 HA ASN A 50 11.453 9.481 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.099 7.447 4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.543 8.376 3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.294 9.794 6.665 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.738 8.133 6.258 1.00 0.00 H new ATOM 689 N HIS A 51 10.406 6.759 0.938 1.00 0.00 N ATOM 690 CA HIS A 51 10.563 5.481 0.232 1.00 0.00 C ATOM 691 C HIS A 51 11.443 4.489 0.999 1.00 0.00 C ATOM 692 O HIS A 51 12.607 4.270 0.664 1.00 0.00 O ATOM 693 CB HIS A 51 11.045 5.663 -1.231 1.00 0.00 C ATOM 694 CG HIS A 51 12.272 6.502 -1.434 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.536 5.970 -1.568 1.00 0.00 N ATOM 696 CD2 HIS A 51 12.416 7.842 -1.568 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.402 6.947 -1.774 1.00 0.00 C ATOM 698 NE2 HIS A 51 13.747 8.093 -1.780 1.00 0.00 N ATOM 0 H HIS A 51 9.461 7.140 0.883 1.00 0.00 H new ATOM 0 HA HIS A 51 9.565 5.045 0.183 1.00 0.00 H new ATOM 0 HB2 HIS A 51 11.234 4.676 -1.653 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.231 6.105 -1.806 1.00 0.00 H new ATOM 0 HD1 HIS A 51 13.767 4.978 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.627 8.578 -1.517 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.466 6.828 -1.914 1.00 0.00 H new ATOM 707 N THR A 52 10.865 3.913 2.045 1.00 0.00 N ATOM 708 CA THR A 52 11.537 2.944 2.904 1.00 0.00 C ATOM 709 C THR A 52 10.488 2.191 3.733 1.00 0.00 C ATOM 710 O THR A 52 10.013 2.712 4.738 1.00 0.00 O ATOM 711 CB THR A 52 12.540 3.634 3.869 1.00 0.00 C ATOM 712 OG1 THR A 52 13.497 4.408 3.129 1.00 0.00 O ATOM 713 CG2 THR A 52 13.273 2.605 4.716 1.00 0.00 C ATOM 0 H THR A 52 9.904 4.108 2.325 1.00 0.00 H new ATOM 0 HA THR A 52 12.092 2.256 2.266 1.00 0.00 H new ATOM 0 HB THR A 52 11.971 4.293 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.461 4.155 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.969 3.113 5.383 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.552 2.039 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 52 13.824 1.925 4.066 1.00 0.00 H new ATOM 721 N PRO A 53 10.081 0.978 3.308 1.00 0.00 N ATOM 722 CA PRO A 53 9.028 0.202 3.990 1.00 0.00 C ATOM 723 C PRO A 53 9.313 -0.039 5.476 1.00 0.00 C ATOM 724 O PRO A 53 10.466 -0.037 5.912 1.00 0.00 O ATOM 725 CB PRO A 53 9.010 -1.134 3.233 1.00 0.00 C ATOM 726 CG PRO A 53 10.300 -1.173 2.486 1.00 0.00 C ATOM 727 CD PRO A 53 10.608 0.252 2.140 1.00 0.00 C ATOM 0 HA PRO A 53 8.079 0.738 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.927 -1.976 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.159 -1.191 2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.092 -1.609 3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.215 -1.785 1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.677 0.416 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.121 0.561 1.215 1.00 0.00 H new ATOM 735 N SER A 54 8.251 -0.267 6.241 1.00 0.00 N ATOM 736 CA SER A 54 8.344 -0.423 7.686 1.00 0.00 C ATOM 737 C SER A 54 7.106 -1.148 8.193 1.00 0.00 C ATOM 738 O SER A 54 6.098 -1.219 7.489 1.00 0.00 O ATOM 739 CB SER A 54 8.460 0.946 8.370 1.00 0.00 C ATOM 740 OG SER A 54 9.601 1.662 7.921 1.00 0.00 O ATOM 0 H SER A 54 7.302 -0.349 5.876 1.00 0.00 H new ATOM 0 HA SER A 54 9.235 -1.004 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.562 1.530 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.518 0.810 9.450 1.00 0.00 H new ATOM 0 HG SER A 54 9.643 2.529 8.376 1.00 0.00 H new ATOM 746 N LYS A 55 7.176 -1.679 9.406 1.00 0.00 N ATOM 747 CA LYS A 55 6.060 -2.413 9.983 1.00 0.00 C ATOM 748 C LYS A 55 4.874 -1.480 10.216 1.00 0.00 C ATOM 749 O LYS A 55 4.926 -0.601 11.074 1.00 0.00 O ATOM 750 CB LYS A 55 6.491 -3.075 11.299 1.00 0.00 C ATOM 751 CG LYS A 55 5.409 -3.939 11.934 1.00 0.00 C ATOM 752 CD LYS A 55 5.902 -4.669 13.181 1.00 0.00 C ATOM 753 CE LYS A 55 5.979 -3.759 14.404 1.00 0.00 C ATOM 754 NZ LYS A 55 7.090 -2.771 14.324 1.00 0.00 N ATOM 0 H LYS A 55 7.996 -1.615 10.010 1.00 0.00 H new ATOM 0 HA LYS A 55 5.752 -3.191 9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.372 -3.689 11.115 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.785 -2.299 12.006 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.556 -3.313 12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.057 -4.669 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.235 -5.504 13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.888 -5.091 12.984 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.034 -3.227 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.107 -4.370 15.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.483 -2.613 15.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.835 -3.136 13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.729 -1.872 13.945 1.00 0.00 H new ATOM 768 N GLY A 56 3.823 -1.657 9.427 1.00 0.00 N ATOM 769 CA GLY A 56 2.650 -0.816 9.554 1.00 0.00 C ATOM 770 C GLY A 56 2.570 0.232 8.463 1.00 0.00 C ATOM 771 O GLY A 56 1.621 1.015 8.414 1.00 0.00 O ATOM 0 H GLY A 56 3.762 -2.370 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.755 -1.438 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.663 -0.324 10.527 1.00 0.00 H new ATOM 775 N ALA A 57 3.569 0.250 7.592 1.00 0.00 N ATOM 776 CA ALA A 57 3.599 1.197 6.487 1.00 0.00 C ATOM 777 C ALA A 57 3.091 0.542 5.211 1.00 0.00 C ATOM 778 O ALA A 57 2.491 -0.528 5.258 1.00 0.00 O ATOM 779 CB ALA A 57 5.006 1.732 6.285 1.00 0.00 C ATOM 0 H ALA A 57 4.370 -0.381 7.629 1.00 0.00 H new ATOM 0 HA ALA A 57 2.943 2.033 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.011 2.439 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.337 2.236 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.681 0.906 6.062 1.00 0.00 H new ATOM 785 N ILE A 58 3.321 1.182 4.071 1.00 0.00 N ATOM 786 CA ILE A 58 2.858 0.649 2.796 1.00 0.00 C ATOM 787 C ILE A 58 3.941 0.796 1.732 1.00 0.00 C ATOM 788 O ILE A 58 4.703 1.752 1.750 1.00 0.00 O ATOM 789 CB ILE A 58 1.574 1.349 2.293 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.505 1.433 3.389 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.021 0.621 1.077 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.614 2.668 4.262 1.00 0.00 C ATOM 0 H ILE A 58 3.823 2.067 4.003 1.00 0.00 H new ATOM 0 HA ILE A 58 2.631 -0.403 2.966 1.00 0.00 H new ATOM 0 HB ILE A 58 1.842 2.368 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.480 1.415 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.575 0.547 4.020 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.117 1.123 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.765 0.626 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.784 -0.408 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.177 2.654 5.012 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.585 2.679 4.758 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.512 3.560 3.644 1.00 0.00 H new ATOM 804 N LEU A 59 3.997 -0.157 0.819 1.00 0.00 N ATOM 805 CA LEU A 59 4.985 -0.160 -0.251 1.00 0.00 C ATOM 806 C LEU A 59 4.453 0.580 -1.477 1.00 0.00 C ATOM 807 O LEU A 59 3.247 0.775 -1.605 1.00 0.00 O ATOM 808 CB LEU A 59 5.294 -1.604 -0.632 1.00 0.00 C ATOM 809 CG LEU A 59 6.561 -1.817 -1.445 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.766 -1.906 -0.520 1.00 0.00 C ATOM 811 CD2 LEU A 59 6.419 -3.060 -2.304 1.00 0.00 C ATOM 0 H LEU A 59 3.359 -0.953 0.796 1.00 0.00 H new ATOM 0 HA LEU A 59 5.887 0.344 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.368 -2.193 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.451 -1.999 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 59 6.717 -0.967 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.669 -2.059 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.857 -0.981 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.637 -2.743 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.330 -3.207 -2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.252 -3.927 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.573 -2.940 -2.981 1.00 0.00 H new ATOM 823 N GLN A 60 5.350 0.981 -2.372 1.00 0.00 N ATOM 824 CA GLN A 60 4.956 1.622 -3.621 1.00 0.00 C ATOM 825 C GLN A 60 5.961 1.353 -4.725 1.00 0.00 C ATOM 826 O GLN A 60 7.151 1.638 -4.595 1.00 0.00 O ATOM 827 CB GLN A 60 4.772 3.134 -3.422 1.00 0.00 C ATOM 828 CG GLN A 60 5.010 3.977 -4.678 1.00 0.00 C ATOM 829 CD GLN A 60 3.945 3.804 -5.748 1.00 0.00 C ATOM 830 OE1 GLN A 60 3.332 2.747 -5.878 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.731 4.843 -6.535 1.00 0.00 N ATOM 0 H GLN A 60 6.357 0.873 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 60 4.002 1.191 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.760 3.319 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.454 3.470 -2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.058 5.028 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.981 3.716 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.259 5.705 -6.397 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.038 4.784 -7.281 1.00 0.00 H new ATOM 840 N SER A 61 5.451 0.815 -5.813 1.00 0.00 N ATOM 841 CA SER A 61 6.234 0.577 -7.003 1.00 0.00 C ATOM 842 C SER A 61 5.440 1.031 -8.220 1.00 0.00 C ATOM 843 O SER A 61 4.525 0.335 -8.673 1.00 0.00 O ATOM 844 CB SER A 61 6.593 -0.906 -7.115 1.00 0.00 C ATOM 845 OG SER A 61 7.450 -1.143 -8.217 1.00 0.00 O ATOM 0 H SER A 61 4.475 0.529 -5.895 1.00 0.00 H new ATOM 0 HA SER A 61 7.163 1.144 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.078 -1.236 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.683 -1.496 -7.225 1.00 0.00 H new ATOM 0 HG SER A 61 6.930 -1.510 -8.962 1.00 0.00 H new ATOM 851 N SER A 62 5.756 2.217 -8.717 1.00 0.00 N ATOM 852 CA SER A 62 5.089 2.747 -9.890 1.00 0.00 C ATOM 853 C SER A 62 5.734 2.156 -11.137 1.00 0.00 C ATOM 854 O SER A 62 6.738 2.668 -11.636 1.00 0.00 O ATOM 855 CB SER A 62 5.163 4.279 -9.902 1.00 0.00 C ATOM 856 OG SER A 62 4.319 4.826 -10.897 1.00 0.00 O ATOM 0 H SER A 62 6.471 2.829 -8.324 1.00 0.00 H new ATOM 0 HA SER A 62 4.035 2.470 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.876 4.667 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.191 4.594 -10.080 1.00 0.00 H new ATOM 0 HG SER A 62 4.385 5.804 -10.881 1.00 0.00 H new ATOM 862 N GLU A 63 5.172 1.050 -11.602 1.00 0.00 N ATOM 863 CA GLU A 63 5.757 0.284 -12.694 1.00 0.00 C ATOM 864 C GLU A 63 4.746 0.043 -13.807 1.00 0.00 C ATOM 865 O GLU A 63 4.932 -0.835 -14.653 1.00 0.00 O ATOM 866 CB GLU A 63 6.265 -1.053 -12.152 1.00 0.00 C ATOM 867 CG GLU A 63 5.196 -1.839 -11.408 1.00 0.00 C ATOM 868 CD GLU A 63 5.724 -3.112 -10.788 1.00 0.00 C ATOM 869 OE1 GLU A 63 6.420 -3.026 -9.757 1.00 0.00 O ATOM 870 OE2 GLU A 63 5.411 -4.205 -11.305 1.00 0.00 O ATOM 0 H GLU A 63 4.303 0.660 -11.236 1.00 0.00 H new ATOM 0 HA GLU A 63 6.584 0.855 -13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.640 -1.655 -12.980 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.106 -0.871 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.769 -1.211 -10.626 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.388 -2.085 -12.097 1.00 0.00 H new ATOM 877 N GLY A 64 3.686 0.833 -13.814 1.00 0.00 N ATOM 878 CA GLY A 64 2.648 0.650 -14.804 1.00 0.00 C ATOM 879 C GLY A 64 1.430 1.513 -14.548 1.00 0.00 C ATOM 880 O GLY A 64 1.516 2.510 -13.831 1.00 0.00 O ATOM 0 H GLY A 64 3.526 1.595 -13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.049 0.881 -15.791 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.348 -0.398 -14.819 1.00 0.00 H new ATOM 884 N PRO A 65 0.271 1.130 -15.110 1.00 0.00 N ATOM 885 CA PRO A 65 -0.966 1.914 -15.017 1.00 0.00 C ATOM 886 C PRO A 65 -1.511 1.989 -13.596 1.00 0.00 C ATOM 887 O PRO A 65 -2.090 2.998 -13.193 1.00 0.00 O ATOM 888 CB PRO A 65 -1.944 1.152 -15.915 1.00 0.00 C ATOM 889 CG PRO A 65 -1.415 -0.239 -15.969 1.00 0.00 C ATOM 890 CD PRO A 65 0.078 -0.113 -15.880 1.00 0.00 C ATOM 0 HA PRO A 65 -0.804 2.950 -15.315 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.954 1.174 -15.506 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.993 1.594 -16.910 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.806 -0.838 -15.147 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.711 -0.734 -16.894 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.524 -0.971 -15.377 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.535 -0.049 -16.867 1.00 0.00 H new ATOM 898 N PHE A 66 -1.327 0.919 -12.839 1.00 0.00 N ATOM 899 CA PHE A 66 -1.803 0.881 -11.469 1.00 0.00 C ATOM 900 C PHE A 66 -0.641 0.902 -10.488 1.00 0.00 C ATOM 901 O PHE A 66 -0.621 1.718 -9.576 1.00 0.00 O ATOM 902 CB PHE A 66 -2.687 -0.346 -11.233 1.00 0.00 C ATOM 903 CG PHE A 66 -3.962 -0.322 -12.028 1.00 0.00 C ATOM 904 CD1 PHE A 66 -4.994 0.539 -11.685 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.130 -1.159 -13.119 1.00 0.00 C ATOM 906 CE1 PHE A 66 -6.167 0.566 -12.417 1.00 0.00 C ATOM 907 CE2 PHE A 66 -5.301 -1.136 -13.855 1.00 0.00 C ATOM 908 CZ PHE A 66 -6.321 -0.275 -13.500 1.00 0.00 C ATOM 0 H PHE A 66 -0.854 0.070 -13.149 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.406 1.773 -11.299 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.125 -1.244 -11.488 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.930 -0.412 -10.172 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.880 1.196 -10.836 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.337 -1.837 -13.398 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.961 1.244 -12.141 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.418 -1.790 -14.706 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.238 -0.260 -14.070 1.00 0.00 H new ATOM 918 N GLY A 67 0.329 0.020 -10.684 1.00 0.00 N ATOM 919 CA GLY A 67 1.475 -0.027 -9.794 1.00 0.00 C ATOM 920 C GLY A 67 1.199 -0.826 -8.535 1.00 0.00 C ATOM 921 O GLY A 67 0.117 -1.384 -8.373 1.00 0.00 O ATOM 0 H GLY A 67 0.345 -0.663 -11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.322 -0.466 -10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.761 0.989 -9.521 1.00 0.00 H new ATOM 925 N HIS A 68 2.173 -0.876 -7.638 1.00 0.00 N ATOM 926 CA HIS A 68 2.038 -1.645 -6.404 1.00 0.00 C ATOM 927 C HIS A 68 2.011 -0.745 -5.193 1.00 0.00 C ATOM 928 O HIS A 68 3.002 -0.088 -4.906 1.00 0.00 O ATOM 929 CB HIS A 68 3.218 -2.595 -6.187 1.00 0.00 C ATOM 930 CG HIS A 68 3.245 -3.809 -7.062 1.00 0.00 C ATOM 931 ND1 HIS A 68 2.707 -5.018 -6.682 1.00 0.00 N ATOM 932 CD2 HIS A 68 3.796 -4.014 -8.277 1.00 0.00 C ATOM 933 CE1 HIS A 68 2.928 -5.912 -7.623 1.00 0.00 C ATOM 934 NE2 HIS A 68 3.589 -5.332 -8.607 1.00 0.00 N ATOM 0 H HIS A 68 3.066 -0.394 -7.739 1.00 0.00 H new ATOM 0 HA HIS A 68 1.106 -2.199 -6.513 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.142 -2.038 -6.342 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.212 -2.920 -5.147 1.00 0.00 H new ATOM 0 HD1 HIS A 68 2.214 -5.194 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.306 -3.277 -8.880 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.620 -6.947 -7.594 1.00 0.00 H new ATOM 943 N VAL A 69 0.900 -0.705 -4.489 1.00 0.00 N ATOM 944 CA VAL A 69 0.941 -0.285 -3.111 1.00 0.00 C ATOM 945 C VAL A 69 0.481 -1.432 -2.233 1.00 0.00 C ATOM 946 O VAL A 69 -0.686 -1.823 -2.234 1.00 0.00 O ATOM 947 CB VAL A 69 0.135 0.995 -2.841 1.00 0.00 C ATOM 948 CG1 VAL A 69 0.796 2.158 -3.557 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.317 0.847 -3.269 1.00 0.00 C ATOM 0 H VAL A 69 -0.024 -0.953 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 69 1.972 -0.026 -2.869 1.00 0.00 H new ATOM 0 HB VAL A 69 0.129 1.184 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.229 3.070 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.814 2.281 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.820 1.959 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.854 1.773 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.362 0.633 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.778 0.029 -2.716 1.00 0.00 H new ATOM 959 N ALA A 70 1.427 -1.997 -1.518 1.00 0.00 N ATOM 960 CA ALA A 70 1.166 -3.156 -0.696 1.00 0.00 C ATOM 961 C ALA A 70 1.427 -2.824 0.752 1.00 0.00 C ATOM 962 O ALA A 70 2.495 -2.322 1.095 1.00 0.00 O ATOM 963 CB ALA A 70 2.024 -4.327 -1.138 1.00 0.00 C ATOM 0 H ALA A 70 2.392 -1.669 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 70 0.120 -3.441 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.814 -5.191 -0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.798 -4.572 -2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.077 -4.061 -1.049 1.00 0.00 H new ATOM 969 N TYR A 71 0.464 -3.112 1.596 1.00 0.00 N ATOM 970 CA TYR A 71 0.565 -2.767 2.994 1.00 0.00 C ATOM 971 C TYR A 71 1.615 -3.639 3.680 1.00 0.00 C ATOM 972 O TYR A 71 1.532 -4.871 3.671 1.00 0.00 O ATOM 973 CB TYR A 71 -0.816 -2.889 3.646 1.00 0.00 C ATOM 974 CG TYR A 71 -0.786 -3.150 5.132 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.535 -2.129 6.040 1.00 0.00 C ATOM 976 CD2 TYR A 71 -1.014 -4.429 5.622 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.510 -2.377 7.398 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.991 -4.684 6.976 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.738 -3.658 7.860 1.00 0.00 C ATOM 980 OH TYR A 71 -0.718 -3.916 9.213 1.00 0.00 O ATOM 0 H TYR A 71 -0.401 -3.586 1.337 1.00 0.00 H new ATOM 0 HA TYR A 71 0.895 -1.734 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.373 -1.970 3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.364 -3.696 3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.357 -1.127 5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.212 -5.236 4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.314 -1.575 8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.171 -5.684 7.343 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.898 -4.867 9.367 1.00 0.00 H new ATOM 990 N VAL A 72 2.619 -2.977 4.241 1.00 0.00 N ATOM 991 CA VAL A 72 3.752 -3.652 4.849 1.00 0.00 C ATOM 992 C VAL A 72 3.377 -4.162 6.227 1.00 0.00 C ATOM 993 O VAL A 72 3.209 -3.382 7.166 1.00 0.00 O ATOM 994 CB VAL A 72 4.976 -2.719 4.984 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.203 -3.503 5.428 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.250 -1.979 3.683 1.00 0.00 C ATOM 0 H VAL A 72 2.668 -1.959 4.286 1.00 0.00 H new ATOM 0 HA VAL A 72 4.019 -4.482 4.195 1.00 0.00 H new ATOM 0 HB VAL A 72 4.748 -1.976 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.054 -2.828 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.007 -3.969 6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.428 -4.275 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.117 -1.330 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.448 -2.699 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.381 -1.376 3.417 1.00 0.00 H new ATOM 1006 N GLU A 73 3.249 -5.470 6.343 1.00 0.00 N ATOM 1007 CA GLU A 73 2.897 -6.085 7.608 1.00 0.00 C ATOM 1008 C GLU A 73 4.056 -5.958 8.586 1.00 0.00 C ATOM 1009 O GLU A 73 3.853 -5.800 9.790 1.00 0.00 O ATOM 1010 CB GLU A 73 2.549 -7.559 7.397 1.00 0.00 C ATOM 1011 CG GLU A 73 1.396 -7.780 6.432 1.00 0.00 C ATOM 1012 CD GLU A 73 1.128 -9.248 6.181 1.00 0.00 C ATOM 1013 OE1 GLU A 73 0.508 -9.900 7.048 1.00 0.00 O ATOM 1014 OE2 GLU A 73 1.541 -9.756 5.124 1.00 0.00 O ATOM 0 H GLU A 73 3.384 -6.128 5.575 1.00 0.00 H new ATOM 0 HA GLU A 73 2.027 -5.574 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.430 -8.082 7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.297 -8.006 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.496 -7.312 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.618 -7.287 5.486 1.00 0.00 H new ATOM 1021 N SER A 74 5.273 -5.994 8.041 1.00 0.00 N ATOM 1022 CA SER A 74 6.489 -5.972 8.840 1.00 0.00 C ATOM 1023 C SER A 74 7.712 -6.188 7.957 1.00 0.00 C ATOM 1024 O SER A 74 7.608 -6.740 6.858 1.00 0.00 O ATOM 1025 CB SER A 74 6.441 -7.057 9.920 1.00 0.00 C ATOM 1026 OG SER A 74 6.080 -8.313 9.366 1.00 0.00 O ATOM 0 H SER A 74 5.438 -6.039 7.035 1.00 0.00 H new ATOM 0 HA SER A 74 6.562 -4.995 9.318 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.414 -7.136 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.723 -6.776 10.691 1.00 0.00 H new ATOM 0 HG SER A 74 6.058 -8.989 10.075 1.00 0.00 H new ATOM 1032 N VAL A 75 8.861 -5.736 8.431 1.00 0.00 N ATOM 1033 CA VAL A 75 10.124 -6.027 7.775 1.00 0.00 C ATOM 1034 C VAL A 75 10.720 -7.292 8.390 1.00 0.00 C ATOM 1035 O VAL A 75 10.503 -7.578 9.573 1.00 0.00 O ATOM 1036 CB VAL A 75 11.117 -4.840 7.887 1.00 0.00 C ATOM 1037 CG1 VAL A 75 11.421 -4.512 9.341 1.00 0.00 C ATOM 1038 CG2 VAL A 75 12.402 -5.119 7.114 1.00 0.00 C ATOM 0 H VAL A 75 8.945 -5.164 9.271 1.00 0.00 H new ATOM 0 HA VAL A 75 9.940 -6.184 6.712 1.00 0.00 H new ATOM 0 HB VAL A 75 10.639 -3.969 7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.119 -3.676 9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.498 -4.242 9.854 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.864 -5.382 9.825 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.077 -4.269 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.882 -6.012 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.167 -5.276 6.061 1.00 0.00 H new ATOM 1048 N ASN A 76 11.427 -8.065 7.587 1.00 0.00 N ATOM 1049 CA ASN A 76 11.986 -9.327 8.040 1.00 0.00 C ATOM 1050 C ASN A 76 13.382 -9.129 8.608 1.00 0.00 C ATOM 1051 O ASN A 76 13.966 -8.047 8.500 1.00 0.00 O ATOM 1052 CB ASN A 76 12.026 -10.347 6.895 1.00 0.00 C ATOM 1053 CG ASN A 76 10.655 -10.628 6.312 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.634 -10.528 6.997 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.622 -10.991 5.039 1.00 0.00 N ATOM 0 H ASN A 76 11.629 -7.840 6.613 1.00 0.00 H new ATOM 0 HA ASN A 76 11.341 -9.712 8.829 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.682 -9.977 6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.459 -11.279 7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.730 -11.200 4.591 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.489 -11.062 4.506 1.00 0.00 H new ATOM 1062 N SER A 77 13.912 -10.186 9.193 1.00 0.00 N ATOM 1063 CA SER A 77 15.211 -10.146 9.842 1.00 0.00 C ATOM 1064 C SER A 77 16.347 -9.958 8.837 1.00 0.00 C ATOM 1065 O SER A 77 17.383 -9.377 9.162 1.00 0.00 O ATOM 1066 CB SER A 77 15.412 -11.437 10.630 1.00 0.00 C ATOM 1067 OG SER A 77 15.046 -12.564 9.846 1.00 0.00 O ATOM 0 H SER A 77 13.455 -11.097 9.232 1.00 0.00 H new ATOM 0 HA SER A 77 15.233 -9.288 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.454 -11.524 10.937 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.813 -11.411 11.540 1.00 0.00 H new ATOM 0 HG SER A 77 15.183 -13.383 10.366 1.00 0.00 H new ATOM 1073 N ASP A 78 16.156 -10.447 7.619 1.00 0.00 N ATOM 1074 CA ASP A 78 17.204 -10.389 6.606 1.00 0.00 C ATOM 1075 C ASP A 78 17.250 -9.017 5.943 1.00 0.00 C ATOM 1076 O ASP A 78 18.288 -8.597 5.435 1.00 0.00 O ATOM 1077 CB ASP A 78 16.981 -11.462 5.537 1.00 0.00 C ATOM 1078 CG ASP A 78 15.967 -11.036 4.493 1.00 0.00 C ATOM 1079 OD1 ASP A 78 14.785 -10.855 4.843 1.00 0.00 O ATOM 1080 OD2 ASP A 78 16.358 -10.847 3.321 1.00 0.00 O ATOM 0 H ASP A 78 15.290 -10.887 7.308 1.00 0.00 H new ATOM 0 HA ASP A 78 18.155 -10.571 7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.929 -11.687 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.643 -12.382 6.014 1.00 0.00 H new ATOM 1085 N GLY A 79 16.127 -8.317 5.958 1.00 0.00 N ATOM 1086 CA GLY A 79 16.056 -7.025 5.309 1.00 0.00 C ATOM 1087 C GLY A 79 14.909 -6.943 4.328 1.00 0.00 C ATOM 1088 O GLY A 79 14.493 -5.850 3.943 1.00 0.00 O ATOM 0 H GLY A 79 15.263 -8.620 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.943 -6.247 6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.993 -6.830 4.787 1.00 0.00 H new ATOM 1092 N SER A 80 14.395 -8.095 3.921 1.00 0.00 N ATOM 1093 CA SER A 80 13.252 -8.138 3.026 1.00 0.00 C ATOM 1094 C SER A 80 11.992 -7.743 3.786 1.00 0.00 C ATOM 1095 O SER A 80 11.956 -7.826 5.009 1.00 0.00 O ATOM 1096 CB SER A 80 13.096 -9.541 2.442 1.00 0.00 C ATOM 1097 OG SER A 80 14.309 -9.991 1.858 1.00 0.00 O ATOM 0 H SER A 80 14.752 -9.010 4.197 1.00 0.00 H new ATOM 0 HA SER A 80 13.411 -7.435 2.208 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.788 -10.232 3.227 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.306 -9.540 1.691 1.00 0.00 H new ATOM 0 HG SER A 80 15.033 -9.925 2.516 1.00 0.00 H new ATOM 1103 N VAL A 81 10.965 -7.304 3.080 1.00 0.00 N ATOM 1104 CA VAL A 81 9.730 -6.905 3.742 1.00 0.00 C ATOM 1105 C VAL A 81 8.564 -7.803 3.340 1.00 0.00 C ATOM 1106 O VAL A 81 8.442 -8.206 2.181 1.00 0.00 O ATOM 1107 CB VAL A 81 9.371 -5.425 3.467 1.00 0.00 C ATOM 1108 CG1 VAL A 81 10.423 -4.498 4.061 1.00 0.00 C ATOM 1109 CG2 VAL A 81 9.209 -5.167 1.978 1.00 0.00 C ATOM 0 H VAL A 81 10.957 -7.214 2.064 1.00 0.00 H new ATOM 0 HA VAL A 81 9.907 -7.017 4.812 1.00 0.00 H new ATOM 0 HB VAL A 81 8.416 -5.217 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.152 -3.462 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.478 -4.653 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.393 -4.714 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.957 -4.119 1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.142 -5.400 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.412 -5.797 1.584 1.00 0.00 H new ATOM 1119 N THR A 82 7.731 -8.126 4.317 1.00 0.00 N ATOM 1120 CA THR A 82 6.529 -8.907 4.084 1.00 0.00 C ATOM 1121 C THR A 82 5.337 -7.971 3.912 1.00 0.00 C ATOM 1122 O THR A 82 5.013 -7.188 4.812 1.00 0.00 O ATOM 1123 CB THR A 82 6.269 -9.888 5.246 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.379 -10.791 5.376 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.991 -10.682 5.019 1.00 0.00 C ATOM 0 H THR A 82 7.870 -7.855 5.290 1.00 0.00 H new ATOM 0 HA THR A 82 6.668 -9.492 3.175 1.00 0.00 H new ATOM 0 HB THR A 82 6.155 -9.308 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.014 -10.437 6.033 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.834 -11.365 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.146 -9.998 4.946 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.077 -11.253 4.094 1.00 0.00 H new ATOM 1133 N ILE A 83 4.702 -8.040 2.752 1.00 0.00 N ATOM 1134 CA ILE A 83 3.637 -7.109 2.405 1.00 0.00 C ATOM 1135 C ILE A 83 2.403 -7.842 1.898 1.00 0.00 C ATOM 1136 O ILE A 83 2.499 -8.956 1.374 1.00 0.00 O ATOM 1137 CB ILE A 83 4.102 -6.112 1.323 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.632 -6.877 0.107 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.162 -5.169 1.878 1.00 0.00 C ATOM 1140 CD1 ILE A 83 5.065 -5.987 -1.033 1.00 0.00 C ATOM 0 H ILE A 83 4.906 -8.733 2.032 1.00 0.00 H new ATOM 0 HA ILE A 83 3.383 -6.566 3.315 1.00 0.00 H new ATOM 0 HB ILE A 83 3.251 -5.507 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.477 -7.492 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.857 -7.556 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.476 -4.475 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.748 -4.610 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.022 -5.747 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.428 -6.602 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.218 -5.391 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.863 -5.325 -0.695 1.00 0.00 H new ATOM 1152 N SER A 84 1.251 -7.209 2.052 1.00 0.00 N ATOM 1153 CA SER A 84 0.001 -7.771 1.577 1.00 0.00 C ATOM 1154 C SER A 84 -0.755 -6.758 0.712 1.00 0.00 C ATOM 1155 O SER A 84 -1.053 -5.642 1.147 1.00 0.00 O ATOM 1156 CB SER A 84 -0.848 -8.237 2.766 1.00 0.00 C ATOM 1157 OG SER A 84 -0.862 -7.265 3.800 1.00 0.00 O ATOM 0 H SER A 84 1.158 -6.300 2.505 1.00 0.00 H new ATOM 0 HA SER A 84 0.217 -8.637 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.867 -8.433 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.453 -9.177 3.152 1.00 0.00 H new ATOM 0 HG SER A 84 -1.759 -7.216 4.191 1.00 0.00 H new ATOM 1163 N GLU A 85 -1.025 -7.146 -0.525 1.00 0.00 N ATOM 1164 CA GLU A 85 -1.751 -6.302 -1.470 1.00 0.00 C ATOM 1165 C GLU A 85 -2.940 -7.055 -2.061 1.00 0.00 C ATOM 1166 O GLU A 85 -2.796 -7.836 -2.993 1.00 0.00 O ATOM 1167 CB GLU A 85 -0.819 -5.818 -2.593 1.00 0.00 C ATOM 1168 CG GLU A 85 0.150 -6.885 -3.082 1.00 0.00 C ATOM 1169 CD GLU A 85 0.865 -6.504 -4.365 1.00 0.00 C ATOM 1170 OE1 GLU A 85 1.489 -5.422 -4.410 1.00 0.00 O ATOM 1171 OE2 GLU A 85 0.823 -7.298 -5.328 1.00 0.00 O ATOM 0 H GLU A 85 -0.749 -8.052 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.124 -5.432 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.423 -5.475 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.251 -4.958 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.890 -7.077 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.395 -7.816 -3.241 1.00 0.00 H new ATOM 1178 N MET A 86 -4.115 -6.842 -1.496 1.00 0.00 N ATOM 1179 CA MET A 86 -5.315 -7.516 -1.969 1.00 0.00 C ATOM 1180 C MET A 86 -5.717 -7.006 -3.351 1.00 0.00 C ATOM 1181 O MET A 86 -5.702 -5.802 -3.601 1.00 0.00 O ATOM 1182 CB MET A 86 -6.464 -7.325 -0.978 1.00 0.00 C ATOM 1183 CG MET A 86 -7.718 -8.092 -1.351 1.00 0.00 C ATOM 1184 SD MET A 86 -8.983 -8.049 -0.065 1.00 0.00 S ATOM 1185 CE MET A 86 -8.173 -8.967 1.244 1.00 0.00 C ATOM 0 H MET A 86 -4.266 -6.209 -0.710 1.00 0.00 H new ATOM 0 HA MET A 86 -5.096 -8.581 -2.047 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.136 -7.641 0.012 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.703 -6.264 -0.911 1.00 0.00 H new ATOM 0 HG2 MET A 86 -8.130 -7.678 -2.271 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.454 -9.129 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 86 -8.720 -9.891 1.433 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.152 -9.204 0.944 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.154 -8.365 2.152 1.00 0.00 H new ATOM 1195 N ASN A 87 -6.039 -7.945 -4.241 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.487 -7.659 -5.609 1.00 0.00 C ATOM 1197 C ASN A 87 -5.328 -7.216 -6.488 1.00 0.00 C ATOM 1198 O ASN A 87 -4.976 -7.908 -7.447 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.599 -6.600 -5.644 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.152 -6.372 -7.041 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -9.086 -7.045 -7.464 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.599 -5.408 -7.759 1.00 0.00 N ATOM 0 H ASN A 87 -5.996 -8.942 -4.031 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.894 -8.591 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.409 -6.909 -4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.211 -5.659 -5.254 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.948 -5.205 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.823 -4.868 -7.376 1.00 0.00 H new ATOM 1209 N TYR A 88 -4.737 -6.070 -6.143 1.00 0.00 N ATOM 1210 CA TYR A 88 -3.688 -5.446 -6.951 1.00 0.00 C ATOM 1211 C TYR A 88 -4.252 -4.996 -8.300 1.00 0.00 C ATOM 1212 O TYR A 88 -4.482 -3.806 -8.517 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.493 -6.398 -7.139 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.483 -5.935 -8.169 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -0.808 -4.731 -8.022 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -1.206 -6.708 -9.290 1.00 0.00 C ATOM 1217 CE1 TYR A 88 0.113 -4.311 -8.964 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.287 -6.295 -10.235 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.370 -5.096 -10.068 1.00 0.00 C ATOM 1220 OH TYR A 88 1.290 -4.678 -11.006 1.00 0.00 O ATOM 0 H TYR A 88 -4.972 -5.550 -5.298 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.325 -4.565 -6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.987 -6.521 -6.181 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.868 -7.379 -7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.005 -4.113 -7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.719 -7.649 -9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.629 -3.371 -8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.085 -6.909 -11.100 1.00 0.00 H new ATOM 0 HH TYR A 88 2.189 -4.702 -10.616 1.00 0.00 H new ATOM 1230 N SER A 89 -4.502 -5.958 -9.176 1.00 0.00 N ATOM 1231 CA SER A 89 -5.044 -5.695 -10.496 1.00 0.00 C ATOM 1232 C SER A 89 -5.337 -7.018 -11.193 1.00 0.00 C ATOM 1233 O SER A 89 -4.424 -7.690 -11.679 1.00 0.00 O ATOM 1234 CB SER A 89 -4.064 -4.856 -11.326 1.00 0.00 C ATOM 1235 OG SER A 89 -4.619 -4.495 -12.582 1.00 0.00 O ATOM 0 H SER A 89 -4.333 -6.946 -8.988 1.00 0.00 H new ATOM 0 HA SER A 89 -5.969 -5.128 -10.396 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.797 -3.955 -10.773 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.144 -5.419 -11.482 1.00 0.00 H new ATOM 0 HG SER A 89 -4.481 -3.537 -12.737 1.00 0.00 H new ATOM 1241 N GLY A 90 -6.602 -7.408 -11.200 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.987 -8.648 -11.839 1.00 0.00 C ATOM 1243 C GLY A 90 -8.133 -9.338 -11.129 1.00 0.00 C ATOM 1244 O GLY A 90 -9.298 -9.044 -11.387 1.00 0.00 O ATOM 0 H GLY A 90 -7.369 -6.888 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.273 -8.447 -12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.128 -9.318 -11.871 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.802 -10.253 -10.233 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.822 -10.989 -9.519 1.00 0.00 C ATOM 1250 C GLY A 91 -9.222 -10.301 -8.231 1.00 0.00 C ATOM 1251 O GLY A 91 -8.379 -10.069 -7.368 1.00 0.00 O ATOM 0 H GLY A 91 -6.843 -10.500 -9.987 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.699 -11.104 -10.156 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.457 -11.991 -9.296 1.00 0.00 H new ATOM 1255 N PRO A 92 -10.503 -9.953 -8.076 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.997 -9.281 -6.873 1.00 0.00 C ATOM 1257 C PRO A 92 -10.738 -10.089 -5.604 1.00 0.00 C ATOM 1258 O PRO A 92 -11.041 -11.285 -5.541 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.500 -9.134 -7.129 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.636 -9.208 -8.609 1.00 0.00 C ATOM 1261 CD PRO A 92 -11.571 -10.162 -9.064 1.00 0.00 C ATOM 0 HA PRO A 92 -10.492 -8.330 -6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.065 -9.926 -6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.877 -8.187 -6.743 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.627 -9.561 -8.895 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.504 -8.227 -9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.925 -11.193 -9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.234 -9.940 -10.077 1.00 0.00 H new ATOM 1269 N PHE A 93 -10.140 -9.423 -4.615 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.869 -9.998 -3.300 1.00 0.00 C ATOM 1271 C PHE A 93 -8.747 -11.028 -3.339 1.00 0.00 C ATOM 1272 O PHE A 93 -8.554 -11.767 -2.369 1.00 0.00 O ATOM 1273 CB PHE A 93 -11.115 -10.629 -2.679 1.00 0.00 C ATOM 1274 CG PHE A 93 -12.228 -9.656 -2.382 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -13.187 -9.358 -3.339 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -12.315 -9.045 -1.142 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -14.212 -8.472 -3.063 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -13.337 -8.157 -0.860 1.00 0.00 C ATOM 1279 CZ PHE A 93 -14.285 -7.870 -1.822 1.00 0.00 C ATOM 0 H PHE A 93 -9.827 -8.457 -4.708 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.551 -9.163 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.492 -11.398 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.830 -11.129 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.132 -9.824 -4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -11.576 -9.265 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -14.954 -8.251 -3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -13.394 -7.689 0.111 1.00 0.00 H new ATOM 0 HZ PHE A 93 -15.083 -7.175 -1.604 1.00 0.00 H new ATOM 1289 N SER A 94 -7.999 -11.088 -4.435 1.00 0.00 N ATOM 1290 CA SER A 94 -6.806 -11.918 -4.450 1.00 0.00 C ATOM 1291 C SER A 94 -5.737 -11.251 -3.613 1.00 0.00 C ATOM 1292 O SER A 94 -4.993 -10.406 -4.104 1.00 0.00 O ATOM 1293 CB SER A 94 -6.276 -12.169 -5.867 1.00 0.00 C ATOM 1294 OG SER A 94 -6.119 -10.958 -6.591 1.00 0.00 O ATOM 0 H SER A 94 -8.192 -10.586 -5.302 1.00 0.00 H new ATOM 0 HA SER A 94 -7.071 -12.891 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.318 -12.686 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.962 -12.826 -6.401 1.00 0.00 H new ATOM 0 HG SER A 94 -6.892 -10.825 -7.178 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.714 -11.568 -2.331 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.709 -11.012 -1.445 1.00 0.00 C ATOM 1302 C VAL A 95 -3.308 -11.435 -1.910 1.00 0.00 C ATOM 1303 O VAL A 95 -2.824 -12.528 -1.602 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.960 -11.393 0.037 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -5.144 -12.891 0.208 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -3.837 -10.883 0.929 1.00 0.00 C ATOM 0 H VAL A 95 -6.375 -12.203 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.778 -9.925 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.888 -10.910 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.318 -13.119 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.999 -13.222 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.247 -13.409 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.038 -11.164 1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.892 -11.322 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.776 -9.797 0.853 1.00 0.00 H new ATOM 1316 N SER A 96 -2.691 -10.567 -2.699 1.00 0.00 N ATOM 1317 CA SER A 96 -1.405 -10.844 -3.306 1.00 0.00 C ATOM 1318 C SER A 96 -0.318 -10.885 -2.243 1.00 0.00 C ATOM 1319 O SER A 96 -0.115 -9.927 -1.491 1.00 0.00 O ATOM 1320 CB SER A 96 -1.107 -9.789 -4.384 1.00 0.00 C ATOM 1321 OG SER A 96 0.188 -9.927 -4.943 1.00 0.00 O ATOM 0 H SER A 96 -3.072 -9.650 -2.934 1.00 0.00 H new ATOM 0 HA SER A 96 -1.429 -11.823 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.851 -9.866 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.206 -8.794 -3.950 1.00 0.00 H new ATOM 0 HG SER A 96 0.549 -9.041 -5.156 1.00 0.00 H new ATOM 1327 N SER A 97 0.343 -12.023 -2.164 1.00 0.00 N ATOM 1328 CA SER A 97 1.412 -12.225 -1.204 1.00 0.00 C ATOM 1329 C SER A 97 2.759 -11.925 -1.850 1.00 0.00 C ATOM 1330 O SER A 97 3.192 -12.628 -2.765 1.00 0.00 O ATOM 1331 CB SER A 97 1.372 -13.658 -0.681 1.00 0.00 C ATOM 1332 OG SER A 97 0.085 -13.964 -0.170 1.00 0.00 O ATOM 0 H SER A 97 0.156 -12.830 -2.759 1.00 0.00 H new ATOM 0 HA SER A 97 1.275 -11.544 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.626 -14.351 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 97 2.120 -13.787 0.101 1.00 0.00 H new ATOM 0 HG SER A 97 0.075 -14.887 0.160 1.00 0.00 H new ATOM 1338 N ARG A 98 3.410 -10.866 -1.390 1.00 0.00 N ATOM 1339 CA ARG A 98 4.666 -10.437 -1.982 1.00 0.00 C ATOM 1340 C ARG A 98 5.759 -10.325 -0.929 1.00 0.00 C ATOM 1341 O ARG A 98 5.487 -10.273 0.274 1.00 0.00 O ATOM 1342 CB ARG A 98 4.490 -9.087 -2.685 1.00 0.00 C ATOM 1343 CG ARG A 98 3.441 -9.097 -3.783 1.00 0.00 C ATOM 1344 CD ARG A 98 3.869 -9.947 -4.965 1.00 0.00 C ATOM 1345 NE ARG A 98 2.770 -10.177 -5.899 1.00 0.00 N ATOM 1346 CZ ARG A 98 2.903 -10.177 -7.221 1.00 0.00 C ATOM 1347 NH1 ARG A 98 4.060 -9.853 -7.780 1.00 0.00 N ATOM 1348 NH2 ARG A 98 1.867 -10.476 -7.991 1.00 0.00 N ATOM 0 H ARG A 98 3.089 -10.291 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 98 4.964 -11.189 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.219 -8.335 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.446 -8.783 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.501 -9.477 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.256 -8.076 -4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.691 -9.456 -5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.246 -10.905 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 98 1.842 -10.348 -5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.856 -9.601 -7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 98 4.154 -9.855 -8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 98 0.967 -10.706 -7.569 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.969 -10.476 -9.006 1.00 0.00 H new ATOM 1362 N THR A 99 6.995 -10.299 -1.392 1.00 0.00 N ATOM 1363 CA THR A 99 8.144 -10.135 -0.520 1.00 0.00 C ATOM 1364 C THR A 99 9.216 -9.323 -1.238 1.00 0.00 C ATOM 1365 O THR A 99 9.777 -9.766 -2.240 1.00 0.00 O ATOM 1366 CB THR A 99 8.723 -11.495 -0.078 1.00 0.00 C ATOM 1367 OG1 THR A 99 7.691 -12.281 0.534 1.00 0.00 O ATOM 1368 CG2 THR A 99 9.866 -11.307 0.910 1.00 0.00 C ATOM 0 H THR A 99 7.231 -10.391 -2.380 1.00 0.00 H new ATOM 0 HA THR A 99 7.816 -9.608 0.376 1.00 0.00 H new ATOM 0 HB THR A 99 9.108 -12.006 -0.961 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.060 -13.145 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.256 -12.281 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 99 10.660 -10.725 0.442 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.502 -10.780 1.792 1.00 0.00 H new ATOM 1376 N ILE A 100 9.482 -8.128 -0.739 1.00 0.00 N ATOM 1377 CA ILE A 100 10.392 -7.220 -1.418 1.00 0.00 C ATOM 1378 C ILE A 100 11.800 -7.340 -0.873 1.00 0.00 C ATOM 1379 O ILE A 100 12.010 -7.302 0.340 1.00 0.00 O ATOM 1380 CB ILE A 100 9.945 -5.752 -1.289 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.491 -5.588 -1.715 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.840 -4.844 -2.117 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.207 -6.074 -3.123 1.00 0.00 C ATOM 0 H ILE A 100 9.084 -7.765 0.127 1.00 0.00 H new ATOM 0 HA ILE A 100 10.376 -7.508 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 100 10.032 -5.465 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.854 -6.132 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.217 -4.535 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.507 -3.811 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.869 -4.931 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.786 -5.138 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.152 -5.924 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.817 -5.513 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.448 -7.134 -3.197 1.00 0.00 H new ATOM 1395 N SER A 101 12.752 -7.494 -1.775 1.00 0.00 N ATOM 1396 CA SER A 101 14.156 -7.472 -1.423 1.00 0.00 C ATOM 1397 C SER A 101 14.564 -6.068 -0.981 1.00 0.00 C ATOM 1398 O SER A 101 14.103 -5.077 -1.556 1.00 0.00 O ATOM 1399 CB SER A 101 14.980 -7.915 -2.630 1.00 0.00 C ATOM 1400 OG SER A 101 14.567 -7.221 -3.795 1.00 0.00 O ATOM 0 H SER A 101 12.572 -7.637 -2.769 1.00 0.00 H new ATOM 0 HA SER A 101 14.338 -8.156 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.038 -7.728 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.868 -8.989 -2.780 1.00 0.00 H new ATOM 0 HG SER A 101 15.106 -7.515 -4.559 1.00 0.00 H new ATOM 1406 N ALA A 102 15.415 -5.986 0.036 1.00 0.00 N ATOM 1407 CA ALA A 102 15.875 -4.706 0.570 1.00 0.00 C ATOM 1408 C ALA A 102 16.402 -3.780 -0.528 1.00 0.00 C ATOM 1409 O ALA A 102 16.222 -2.561 -0.462 1.00 0.00 O ATOM 1410 CB ALA A 102 16.948 -4.944 1.617 1.00 0.00 C ATOM 0 H ALA A 102 15.805 -6.799 0.512 1.00 0.00 H new ATOM 0 HA ALA A 102 15.019 -4.209 1.027 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.289 -3.987 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.538 -5.547 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.789 -5.469 1.164 1.00 0.00 H new ATOM 1416 N SER A 103 17.033 -4.364 -1.542 1.00 0.00 N ATOM 1417 CA SER A 103 17.580 -3.598 -2.655 1.00 0.00 C ATOM 1418 C SER A 103 16.491 -2.758 -3.331 1.00 0.00 C ATOM 1419 O SER A 103 16.640 -1.546 -3.487 1.00 0.00 O ATOM 1420 CB SER A 103 18.229 -4.540 -3.673 1.00 0.00 C ATOM 1421 OG SER A 103 18.939 -3.823 -4.665 1.00 0.00 O ATOM 0 H SER A 103 17.178 -5.371 -1.615 1.00 0.00 H new ATOM 0 HA SER A 103 18.338 -2.920 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.908 -5.221 -3.159 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.461 -5.152 -4.145 1.00 0.00 H new ATOM 0 HG SER A 103 19.343 -4.453 -5.298 1.00 0.00 H new ATOM 1427 N GLU A 104 15.388 -3.397 -3.708 1.00 0.00 N ATOM 1428 CA GLU A 104 14.295 -2.697 -4.370 1.00 0.00 C ATOM 1429 C GLU A 104 13.414 -1.973 -3.359 1.00 0.00 C ATOM 1430 O GLU A 104 12.724 -1.012 -3.702 1.00 0.00 O ATOM 1431 CB GLU A 104 13.461 -3.663 -5.213 1.00 0.00 C ATOM 1432 CG GLU A 104 14.147 -4.064 -6.511 1.00 0.00 C ATOM 1433 CD GLU A 104 13.267 -4.906 -7.414 1.00 0.00 C ATOM 1434 OE1 GLU A 104 12.275 -4.367 -7.945 1.00 0.00 O ATOM 1435 OE2 GLU A 104 13.580 -6.097 -7.626 1.00 0.00 O ATOM 0 H GLU A 104 15.228 -4.394 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 104 14.732 -1.951 -5.034 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.251 -4.558 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.502 -3.200 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 104 14.452 -3.165 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.055 -4.620 -6.278 1.00 0.00 H new ATOM 1442 N ALA A 105 13.450 -2.427 -2.112 1.00 0.00 N ATOM 1443 CA ALA A 105 12.674 -1.804 -1.047 1.00 0.00 C ATOM 1444 C ALA A 105 13.144 -0.377 -0.795 1.00 0.00 C ATOM 1445 O ALA A 105 12.344 0.500 -0.478 1.00 0.00 O ATOM 1446 CB ALA A 105 12.765 -2.627 0.230 1.00 0.00 C ATOM 0 H ALA A 105 14.009 -3.226 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 105 11.632 -1.768 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.180 -2.147 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.374 -3.628 0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.806 -2.696 0.545 1.00 0.00 H new ATOM 1452 N GLY A 106 14.447 -0.153 -0.943 1.00 0.00 N ATOM 1453 CA GLY A 106 14.998 1.182 -0.779 1.00 0.00 C ATOM 1454 C GLY A 106 14.489 2.152 -1.832 1.00 0.00 C ATOM 1455 O GLY A 106 14.418 3.361 -1.594 1.00 0.00 O ATOM 0 H GLY A 106 15.132 -0.873 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.743 1.558 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.086 1.132 -0.830 1.00 0.00 H new ATOM 1459 N ASN A 107 14.135 1.618 -2.995 1.00 0.00 N ATOM 1460 CA ASN A 107 13.602 2.421 -4.090 1.00 0.00 C ATOM 1461 C ASN A 107 12.112 2.661 -3.895 1.00 0.00 C ATOM 1462 O ASN A 107 11.612 3.766 -4.110 1.00 0.00 O ATOM 1463 CB ASN A 107 13.843 1.714 -5.433 1.00 0.00 C ATOM 1464 CG ASN A 107 13.126 2.385 -6.593 1.00 0.00 C ATOM 1465 OD1 ASN A 107 13.655 3.306 -7.216 1.00 0.00 O ATOM 1466 ND2 ASN A 107 11.926 1.909 -6.905 1.00 0.00 N ATOM 0 H ASN A 107 14.208 0.623 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 107 14.117 3.382 -4.095 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.913 1.691 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.511 0.679 -5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.407 2.308 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.524 1.144 -6.363 1.00 0.00 H new ATOM 1473 N TYR A 108 11.414 1.616 -3.472 1.00 0.00 N ATOM 1474 CA TYR A 108 9.968 1.659 -3.342 1.00 0.00 C ATOM 1475 C TYR A 108 9.534 2.677 -2.298 1.00 0.00 C ATOM 1476 O TYR A 108 10.065 2.716 -1.189 1.00 0.00 O ATOM 1477 CB TYR A 108 9.427 0.277 -2.989 1.00 0.00 C ATOM 1478 CG TYR A 108 9.574 -0.747 -4.095 1.00 0.00 C ATOM 1479 CD1 TYR A 108 9.971 -0.380 -5.378 1.00 0.00 C ATOM 1480 CD2 TYR A 108 9.307 -2.081 -3.857 1.00 0.00 C ATOM 1481 CE1 TYR A 108 10.096 -1.322 -6.382 1.00 0.00 C ATOM 1482 CE2 TYR A 108 9.425 -3.024 -4.850 1.00 0.00 C ATOM 1483 CZ TYR A 108 9.818 -2.644 -6.110 1.00 0.00 C ATOM 1484 OH TYR A 108 9.931 -3.593 -7.098 1.00 0.00 O ATOM 0 H TYR A 108 11.832 0.723 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 108 9.556 1.968 -4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.943 -0.087 -2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.372 0.367 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 108 10.185 0.657 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 108 8.999 -2.390 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.409 -1.024 -7.372 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.209 -4.061 -4.640 1.00 0.00 H new ATOM 0 HH TYR A 108 10.878 -3.757 -7.287 1.00 0.00 H new ATOM 1494 N ASN A 109 8.555 3.491 -2.661 1.00 0.00 N ATOM 1495 CA ASN A 109 8.104 4.580 -1.806 1.00 0.00 C ATOM 1496 C ASN A 109 7.187 4.073 -0.712 1.00 0.00 C ATOM 1497 O ASN A 109 6.681 2.955 -0.775 1.00 0.00 O ATOM 1498 CB ASN A 109 7.390 5.665 -2.616 1.00 0.00 C ATOM 1499 CG ASN A 109 8.345 6.504 -3.443 1.00 0.00 C ATOM 1500 OD1 ASN A 109 8.905 7.485 -2.955 1.00 0.00 O ATOM 1501 ND2 ASN A 109 8.528 6.136 -4.700 1.00 0.00 N ATOM 0 H ASN A 109 8.055 3.418 -3.547 1.00 0.00 H new ATOM 0 HA ASN A 109 8.992 5.015 -1.347 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.659 5.198 -3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.837 6.314 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.152 6.672 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.045 5.316 -5.067 1.00 0.00 H new ATOM 1508 N TYR A 110 6.993 4.898 0.299 1.00 0.00 N ATOM 1509 CA TYR A 110 6.059 4.599 1.360 1.00 0.00 C ATOM 1510 C TYR A 110 5.573 5.908 1.953 1.00 0.00 C ATOM 1511 O TYR A 110 6.333 6.878 2.034 1.00 0.00 O ATOM 1512 CB TYR A 110 6.701 3.693 2.427 1.00 0.00 C ATOM 1513 CG TYR A 110 7.512 4.396 3.494 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.471 5.344 3.174 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.314 4.093 4.835 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.207 5.970 4.153 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.050 4.716 5.824 1.00 0.00 C ATOM 1518 CZ TYR A 110 8.993 5.658 5.475 1.00 0.00 C ATOM 1519 OH TYR A 110 9.728 6.294 6.445 1.00 0.00 O ATOM 0 H TYR A 110 7.477 5.789 0.405 1.00 0.00 H new ATOM 0 HA TYR A 110 5.208 4.048 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 110 5.910 3.124 2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.346 2.973 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.643 5.596 2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.572 3.358 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.951 6.705 3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 110 7.888 4.467 6.862 1.00 0.00 H new ATOM 0 HH TYR A 110 9.459 5.965 7.328 1.00 0.00 H new ATOM 1529 N ILE A 111 4.315 5.963 2.328 1.00 0.00 N ATOM 1530 CA ILE A 111 3.763 7.185 2.864 1.00 0.00 C ATOM 1531 C ILE A 111 3.332 6.976 4.309 1.00 0.00 C ATOM 1532 O ILE A 111 2.534 6.090 4.612 1.00 0.00 O ATOM 1533 CB ILE A 111 2.578 7.702 2.009 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.420 6.704 2.025 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.036 7.951 0.575 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.193 7.166 1.264 1.00 0.00 C ATOM 0 H ILE A 111 3.660 5.183 2.272 1.00 0.00 H new ATOM 0 HA ILE A 111 4.542 7.946 2.833 1.00 0.00 H new ATOM 0 HB ILE A 111 2.228 8.640 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.763 5.760 1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.139 6.506 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.196 8.314 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.832 8.696 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.408 7.021 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.582 6.402 1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.178 8.094 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.455 7.336 0.220 1.00 0.00 H new ATOM 1548 N HIS A 112 3.908 7.748 5.212 1.00 0.00 N ATOM 1549 CA HIS A 112 3.479 7.709 6.597 1.00 0.00 C ATOM 1550 C HIS A 112 3.120 9.112 7.050 1.00 0.00 C ATOM 1551 O HIS A 112 3.718 10.078 6.590 1.00 0.00 O ATOM 1552 CB HIS A 112 4.545 7.076 7.508 1.00 0.00 C ATOM 1553 CG HIS A 112 5.834 7.839 7.609 1.00 0.00 C ATOM 1554 ND1 HIS A 112 6.130 8.666 8.666 1.00 0.00 N ATOM 1555 CD2 HIS A 112 6.921 7.862 6.801 1.00 0.00 C ATOM 1556 CE1 HIS A 112 7.338 9.166 8.508 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.847 8.695 7.384 1.00 0.00 N ATOM 0 H HIS A 112 4.665 8.402 5.015 1.00 0.00 H new ATOM 0 HA HIS A 112 2.596 7.075 6.672 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.127 6.967 8.509 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.763 6.073 7.142 1.00 0.00 H new ATOM 0 HD1 HIS A 112 5.510 8.862 9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.039 7.325 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 112 7.831 9.848 9.185 1.00 0.00 H new ATOM 1566 N ILE A 113 2.134 9.207 7.925 1.00 0.00 N ATOM 1567 CA ILE A 113 1.584 10.491 8.345 1.00 0.00 C ATOM 1568 C ILE A 113 2.669 11.378 8.957 1.00 0.00 C ATOM 1569 O ILE A 113 3.165 12.287 8.256 1.00 0.00 O ATOM 1570 CB ILE A 113 0.439 10.283 9.364 1.00 0.00 C ATOM 1571 CG1 ILE A 113 -0.489 9.159 8.894 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.356 11.567 9.549 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -1.597 8.832 9.873 1.00 0.00 C ATOM 1574 OXT ILE A 113 3.038 11.150 10.126 1.00 0.00 O ATOM 0 H ILE A 113 1.691 8.401 8.365 1.00 0.00 H new ATOM 0 HA ILE A 113 1.187 10.990 7.461 1.00 0.00 H new ATOM 0 HB ILE A 113 0.879 10.006 10.322 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.932 9.442 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.103 8.261 8.717 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.156 11.399 10.270 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.303 12.354 9.916 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.785 11.870 8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -2.212 8.027 9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -1.163 8.517 10.822 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.215 9.716 10.032 1.00 0.00 H new TER 1586 ILE A 113