USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 35 SER OG : rot -144:sc= 0.699 USER MOD Set 1.2: A 83 ASN : amide:sc= -0.219 K(o=0.48,f=-8.3!) USER MOD Set 2.1: A 79 THR OG1 : rot 170:sc= 0.866 USER MOD Set 2.2: A 82 GLN : amide:sc= 0.96 K(o=1.8,f=-2.4) USER MOD Set 3.1: A 18 THR OG1 : rot 155:sc= 1.31 USER MOD Set 3.2: A 38 HIS : no HD1:sc= 0.955 K(o=2.3,f=-8.1!) USER MOD Set 4.1: A 5 SER OG : rot -107:sc= 0.893 USER MOD Set 4.2: A 52 TYR OH : rot -121:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.12 (180deg=-0.575) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.00295 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 7 ASN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc=-0.00953 F(o=-1.2,f=-0.0095) USER MOD Single : A 34 SER OG : rot 31:sc= 0.274 USER MOD Single : A 37 MET CE :methyl -128:sc= -0.656 (180deg=-4.26!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 46 SER OG : rot -83:sc= 0.32 USER MOD Single : A 47 SER OG : rot -38:sc= 0.289 USER MOD Single : A 53 LYS NZ :NH3+ -125:sc= 0.994 (180deg=-0.0626) USER MOD Single : A 60 ASN : amide:sc= -0.276 K(o=-0.28,f=-0.95) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 65 THR OG1 : rot -87:sc= 1.81 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 73 LYS NZ :NH3+ -171:sc=-0.00674 (180deg=-0.112) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 76 GLN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 1.15 K(o=1.2,f=-0.44) USER MOD Single : A 92 SER OG : rot 27:sc= 0.496 USER MOD Single : A 97 ASN : amide:sc= 0.272 K(o=0.27,f=-2.4!) USER MOD Single : A 100 LYS NZ :NH3+ -173:sc=-0.00434 (180deg=-0.0602) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.582 -3.002 -4.902 1.00 0.00 N ATOM 2 CA MET A 1 -12.896 -4.169 -4.307 1.00 0.00 C ATOM 3 C MET A 1 -11.723 -4.588 -5.182 1.00 0.00 C ATOM 4 O MET A 1 -11.856 -4.710 -6.400 1.00 0.00 O ATOM 5 CB MET A 1 -13.877 -5.336 -4.153 1.00 0.00 C ATOM 6 CG MET A 1 -13.264 -6.580 -3.539 1.00 0.00 C ATOM 7 SD MET A 1 -14.437 -7.947 -3.428 1.00 0.00 S ATOM 8 CE MET A 1 -15.661 -7.260 -2.313 1.00 0.00 C ATOM 0 H1 MET A 1 -14.610 -3.103 -4.779 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.261 -2.133 -4.430 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.359 -2.948 -5.916 1.00 0.00 H new ATOM 0 HA MET A 1 -12.521 -3.891 -3.322 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.715 -5.014 -3.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.282 -5.589 -5.133 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.405 -6.890 -4.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.892 -6.343 -2.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.266 -8.065 -1.896 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.159 -6.728 -1.505 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.303 -6.569 -2.859 1.00 0.00 H new ATOM 20 N LEU A 2 -10.576 -4.811 -4.564 1.00 0.00 N ATOM 21 CA LEU A 2 -9.387 -5.206 -5.297 1.00 0.00 C ATOM 22 C LEU A 2 -9.411 -6.704 -5.557 1.00 0.00 C ATOM 23 O LEU A 2 -8.945 -7.497 -4.741 1.00 0.00 O ATOM 24 CB LEU A 2 -8.108 -4.825 -4.541 1.00 0.00 C ATOM 25 CG LEU A 2 -7.827 -3.324 -4.415 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.741 -2.674 -3.387 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.366 -3.088 -4.056 1.00 0.00 C ATOM 0 H LEU A 2 -10.443 -4.725 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.386 -4.672 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.161 -5.250 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.260 -5.293 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.031 -2.861 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.516 -1.609 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.780 -2.808 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.583 -3.139 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.181 -2.017 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.142 -3.573 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.728 -3.505 -4.835 1.00 0.00 H new ATOM 39 N VAL A 3 -10.008 -7.087 -6.671 1.00 0.00 N ATOM 40 CA VAL A 3 -10.059 -8.484 -7.059 1.00 0.00 C ATOM 41 C VAL A 3 -8.778 -8.869 -7.786 1.00 0.00 C ATOM 42 O VAL A 3 -8.539 -8.437 -8.914 1.00 0.00 O ATOM 43 CB VAL A 3 -11.275 -8.777 -7.965 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.363 -10.261 -8.291 1.00 0.00 C ATOM 45 CG2 VAL A 3 -12.563 -8.289 -7.314 1.00 0.00 C ATOM 0 H VAL A 3 -10.465 -6.449 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.161 -9.077 -6.150 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.139 -8.233 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.227 -10.443 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.456 -10.574 -8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.468 -10.831 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.407 -8.506 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.704 -8.798 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.501 -7.214 -7.146 1.00 0.00 H new ATOM 55 N ILE A 4 -7.955 -9.667 -7.129 1.00 0.00 N ATOM 56 CA ILE A 4 -6.704 -10.119 -7.717 1.00 0.00 C ATOM 57 C ILE A 4 -6.867 -11.536 -8.239 1.00 0.00 C ATOM 58 O ILE A 4 -6.397 -11.876 -9.327 1.00 0.00 O ATOM 59 CB ILE A 4 -5.547 -10.064 -6.696 1.00 0.00 C ATOM 60 CG1 ILE A 4 -5.402 -8.644 -6.142 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.242 -10.516 -7.340 1.00 0.00 C ATOM 62 CD1 ILE A 4 -4.340 -8.514 -5.075 1.00 0.00 C ATOM 0 H ILE A 4 -8.130 -10.016 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.455 -9.450 -8.541 1.00 0.00 H new ATOM 0 HB ILE A 4 -5.777 -10.742 -5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.166 -7.966 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.359 -8.325 -5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.439 -10.470 -6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.348 -11.540 -7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.004 -9.861 -8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.295 -7.481 -4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.585 -9.166 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.373 -8.801 -5.487 1.00 0.00 H new ATOM 74 N SER A 5 -7.553 -12.354 -7.461 1.00 0.00 N ATOM 75 CA SER A 5 -7.856 -13.715 -7.852 1.00 0.00 C ATOM 76 C SER A 5 -9.353 -13.948 -7.705 1.00 0.00 C ATOM 77 O SER A 5 -10.037 -13.181 -7.028 1.00 0.00 O ATOM 78 CB SER A 5 -7.068 -14.700 -6.988 1.00 0.00 C ATOM 79 OG SER A 5 -5.680 -14.395 -7.011 1.00 0.00 O ATOM 0 H SER A 5 -7.914 -12.093 -6.543 1.00 0.00 H new ATOM 0 HA SER A 5 -7.567 -13.874 -8.891 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.435 -14.665 -5.962 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.228 -15.716 -7.350 1.00 0.00 H new ATOM 0 HG SER A 5 -5.207 -15.064 -7.549 1.00 0.00 H new ATOM 85 N ASN A 6 -9.854 -14.996 -8.331 1.00 0.00 N ATOM 86 CA ASN A 6 -11.283 -15.287 -8.313 1.00 0.00 C ATOM 87 C ASN A 6 -11.770 -15.525 -6.884 1.00 0.00 C ATOM 88 O ASN A 6 -12.879 -15.132 -6.522 1.00 0.00 O ATOM 89 CB ASN A 6 -11.582 -16.508 -9.189 1.00 0.00 C ATOM 90 CG ASN A 6 -13.067 -16.742 -9.384 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.860 -15.803 -9.417 1.00 0.00 O ATOM 92 ND2 ASN A 6 -13.453 -18.002 -9.505 1.00 0.00 N ATOM 0 H ASN A 6 -9.294 -15.664 -8.861 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.816 -14.425 -8.715 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.109 -16.376 -10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.136 -17.393 -8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.441 -18.223 -9.631 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.763 -18.752 -9.472 1.00 0.00 H new ATOM 99 N ASN A 7 -10.930 -16.150 -6.068 1.00 0.00 N ATOM 100 CA ASN A 7 -11.291 -16.446 -4.684 1.00 0.00 C ATOM 101 C ASN A 7 -10.515 -15.548 -3.714 1.00 0.00 C ATOM 102 O ASN A 7 -10.533 -15.757 -2.502 1.00 0.00 O ATOM 103 CB ASN A 7 -11.011 -17.920 -4.377 1.00 0.00 C ATOM 104 CG ASN A 7 -11.862 -18.462 -3.237 1.00 0.00 C ATOM 105 OD1 ASN A 7 -12.966 -18.955 -3.461 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.361 -18.374 -2.013 1.00 0.00 N ATOM 0 H ASN A 7 -9.997 -16.461 -6.338 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.355 -16.248 -4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.193 -18.513 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.957 -18.039 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.895 -18.722 -1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.441 -17.958 -1.867 1.00 0.00 H new ATOM 113 N VAL A 8 -9.843 -14.537 -4.248 1.00 0.00 N ATOM 114 CA VAL A 8 -9.047 -13.632 -3.424 1.00 0.00 C ATOM 115 C VAL A 8 -9.387 -12.186 -3.750 1.00 0.00 C ATOM 116 O VAL A 8 -9.175 -11.718 -4.872 1.00 0.00 O ATOM 117 CB VAL A 8 -7.530 -13.858 -3.622 1.00 0.00 C ATOM 118 CG1 VAL A 8 -6.720 -12.886 -2.778 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.150 -15.292 -3.288 1.00 0.00 C ATOM 0 H VAL A 8 -9.832 -14.322 -5.245 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.291 -13.844 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.299 -13.675 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.657 -13.066 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.962 -11.863 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.960 -13.031 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.078 -15.428 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.404 -15.503 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.695 -15.974 -3.941 1.00 0.00 H new ATOM 129 N HIS A 9 -9.895 -11.477 -2.759 1.00 0.00 N ATOM 130 CA HIS A 9 -10.332 -10.100 -2.946 1.00 0.00 C ATOM 131 C HIS A 9 -9.806 -9.228 -1.812 1.00 0.00 C ATOM 132 O HIS A 9 -9.637 -9.705 -0.692 1.00 0.00 O ATOM 133 CB HIS A 9 -11.864 -10.013 -2.954 1.00 0.00 C ATOM 134 CG HIS A 9 -12.559 -11.111 -3.708 1.00 0.00 C ATOM 135 ND1 HIS A 9 -12.910 -11.223 -5.011 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -12.989 -12.271 -3.101 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -13.543 -12.434 -5.161 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -13.575 -13.046 -3.994 1.00 0.00 N flip ATOM 0 H HIS A 9 -10.017 -11.832 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.942 -9.751 -3.902 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.219 -10.020 -1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.156 -9.055 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.865 -12.509 -2.055 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.948 -12.821 -6.084 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.983 -13.963 -3.812 1.00 0.00 H new ATOM 147 N LEU A 10 -9.544 -7.960 -2.101 1.00 0.00 N ATOM 148 CA LEU A 10 -9.172 -7.009 -1.064 1.00 0.00 C ATOM 149 C LEU A 10 -10.258 -5.964 -0.883 1.00 0.00 C ATOM 150 O LEU A 10 -10.591 -5.231 -1.819 1.00 0.00 O ATOM 151 CB LEU A 10 -7.844 -6.324 -1.394 1.00 0.00 C ATOM 152 CG LEU A 10 -6.602 -7.170 -1.148 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.356 -6.393 -1.529 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.539 -7.597 0.308 1.00 0.00 C ATOM 0 H LEU A 10 -9.582 -7.568 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.053 -7.564 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.858 -6.024 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.767 -5.412 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.656 -8.064 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.474 -7.008 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.402 -6.126 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.295 -5.486 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.647 -8.201 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.501 -6.713 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.424 -8.183 0.554 1.00 0.00 H new ATOM 166 N PRO A 11 -10.854 -5.912 0.313 1.00 0.00 N ATOM 167 CA PRO A 11 -11.853 -4.907 0.657 1.00 0.00 C ATOM 168 C PRO A 11 -11.227 -3.531 0.867 1.00 0.00 C ATOM 169 O PRO A 11 -10.127 -3.413 1.409 1.00 0.00 O ATOM 170 CB PRO A 11 -12.463 -5.424 1.971 1.00 0.00 C ATOM 171 CG PRO A 11 -11.938 -6.812 2.140 1.00 0.00 C ATOM 172 CD PRO A 11 -10.622 -6.843 1.423 1.00 0.00 C ATOM 0 HA PRO A 11 -12.588 -4.777 -0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.176 -4.792 2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.552 -5.420 1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.814 -7.057 3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.628 -7.544 1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.802 -6.518 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.374 -7.844 1.070 1.00 0.00 H new ATOM 180 N ASP A 12 -11.946 -2.502 0.433 1.00 0.00 N ATOM 181 CA ASP A 12 -11.508 -1.110 0.580 1.00 0.00 C ATOM 182 C ASP A 12 -11.242 -0.794 2.044 1.00 0.00 C ATOM 183 O ASP A 12 -10.286 -0.101 2.390 1.00 0.00 O ATOM 184 CB ASP A 12 -12.610 -0.185 0.058 1.00 0.00 C ATOM 185 CG ASP A 12 -12.140 1.230 -0.236 1.00 0.00 C ATOM 186 OD1 ASP A 12 -11.890 1.998 0.716 1.00 0.00 O ATOM 187 OD2 ASP A 12 -12.053 1.594 -1.428 1.00 0.00 O ATOM 0 H ASP A 12 -12.849 -2.604 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.589 -0.961 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.030 -0.614 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.415 -0.145 0.792 1.00 0.00 H new ATOM 192 N ALA A 13 -12.102 -1.329 2.898 1.00 0.00 N ATOM 193 CA ALA A 13 -12.043 -1.076 4.332 1.00 0.00 C ATOM 194 C ALA A 13 -10.756 -1.588 4.983 1.00 0.00 C ATOM 195 O ALA A 13 -10.369 -1.101 6.044 1.00 0.00 O ATOM 196 CB ALA A 13 -13.243 -1.700 5.018 1.00 0.00 C ATOM 0 H ALA A 13 -12.861 -1.951 2.618 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.054 0.007 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.191 -1.506 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.158 -1.267 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.243 -2.776 4.843 1.00 0.00 H new ATOM 202 N GLU A 14 -10.086 -2.562 4.368 1.00 0.00 N ATOM 203 CA GLU A 14 -8.887 -3.139 4.977 1.00 0.00 C ATOM 204 C GLU A 14 -7.656 -2.305 4.662 1.00 0.00 C ATOM 205 O GLU A 14 -6.564 -2.564 5.172 1.00 0.00 O ATOM 206 CB GLU A 14 -8.672 -4.586 4.528 1.00 0.00 C ATOM 207 CG GLU A 14 -9.829 -5.504 4.875 1.00 0.00 C ATOM 208 CD GLU A 14 -9.420 -6.961 4.946 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.729 -7.443 4.028 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.782 -7.627 5.940 1.00 0.00 O ATOM 0 H GLU A 14 -10.346 -2.962 3.466 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.041 -3.136 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.515 -4.604 3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.762 -4.970 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.251 -5.203 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.616 -5.388 4.129 1.00 0.00 H new ATOM 217 N ILE A 15 -7.847 -1.300 3.837 1.00 0.00 N ATOM 218 CA ILE A 15 -6.775 -0.395 3.473 1.00 0.00 C ATOM 219 C ILE A 15 -6.961 0.927 4.201 1.00 0.00 C ATOM 220 O ILE A 15 -7.934 1.644 3.960 1.00 0.00 O ATOM 221 CB ILE A 15 -6.729 -0.151 1.953 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.746 -1.487 1.203 1.00 0.00 C ATOM 223 CG2 ILE A 15 -5.487 0.650 1.583 1.00 0.00 C ATOM 224 CD1 ILE A 15 -6.832 -1.351 -0.300 1.00 0.00 C ATOM 0 H ILE A 15 -8.744 -1.086 3.401 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.830 -0.853 3.765 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.609 0.423 1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.844 -2.044 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.593 -2.077 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.468 0.815 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.507 1.611 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.596 0.098 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.839 -2.341 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.748 -0.823 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.971 -0.790 -0.664 1.00 0.00 H new ATOM 236 N GLU A 16 -6.040 1.239 5.098 1.00 0.00 N ATOM 237 CA GLU A 16 -6.159 2.431 5.922 1.00 0.00 C ATOM 238 C GLU A 16 -5.440 3.608 5.273 1.00 0.00 C ATOM 239 O GLU A 16 -4.207 3.644 5.210 1.00 0.00 O ATOM 240 CB GLU A 16 -5.597 2.176 7.324 1.00 0.00 C ATOM 241 CG GLU A 16 -5.840 3.318 8.300 1.00 0.00 C ATOM 242 CD GLU A 16 -7.303 3.485 8.655 1.00 0.00 C ATOM 243 OE1 GLU A 16 -8.104 3.845 7.766 1.00 0.00 O ATOM 244 OE2 GLU A 16 -7.667 3.252 9.826 1.00 0.00 O ATOM 0 H GLU A 16 -5.202 0.684 5.274 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.217 2.677 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.044 1.266 7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.524 1.997 7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.268 3.140 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.468 4.246 7.866 1.00 0.00 H new ATOM 251 N LEU A 17 -6.219 4.557 4.775 1.00 0.00 N ATOM 252 CA LEU A 17 -5.671 5.773 4.199 1.00 0.00 C ATOM 253 C LEU A 17 -5.624 6.862 5.254 1.00 0.00 C ATOM 254 O LEU A 17 -6.662 7.351 5.699 1.00 0.00 O ATOM 255 CB LEU A 17 -6.508 6.257 3.007 1.00 0.00 C ATOM 256 CG LEU A 17 -6.302 5.505 1.686 1.00 0.00 C ATOM 257 CD1 LEU A 17 -4.836 5.513 1.293 1.00 0.00 C ATOM 258 CD2 LEU A 17 -6.831 4.080 1.773 1.00 0.00 C ATOM 0 H LEU A 17 -7.238 4.506 4.759 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.665 5.552 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.562 6.191 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.288 7.311 2.839 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.870 6.022 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.708 4.975 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.498 6.542 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.248 5.028 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.670 3.573 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.305 3.544 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.897 4.101 1.997 1.00 0.00 H new ATOM 270 N THR A 18 -4.425 7.221 5.675 1.00 0.00 N ATOM 271 CA THR A 18 -4.261 8.301 6.632 1.00 0.00 C ATOM 272 C THR A 18 -3.783 9.558 5.912 1.00 0.00 C ATOM 273 O THR A 18 -3.217 9.477 4.820 1.00 0.00 O ATOM 274 CB THR A 18 -3.264 7.921 7.745 1.00 0.00 C ATOM 275 OG1 THR A 18 -2.966 6.517 7.676 1.00 0.00 O ATOM 276 CG2 THR A 18 -3.837 8.248 9.113 1.00 0.00 C ATOM 0 H THR A 18 -3.555 6.784 5.372 1.00 0.00 H new ATOM 0 HA THR A 18 -5.228 8.491 7.099 1.00 0.00 H new ATOM 0 HB THR A 18 -2.351 8.497 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.089 6.349 8.079 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.118 7.972 9.884 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.044 9.316 9.175 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.761 7.690 9.263 1.00 0.00 H new ATOM 284 N ALA A 19 -4.022 10.715 6.502 1.00 0.00 N ATOM 285 CA ALA A 19 -3.649 11.970 5.874 1.00 0.00 C ATOM 286 C ALA A 19 -2.565 12.688 6.669 1.00 0.00 C ATOM 287 O ALA A 19 -2.640 12.798 7.895 1.00 0.00 O ATOM 288 CB ALA A 19 -4.868 12.862 5.709 1.00 0.00 C ATOM 0 H ALA A 19 -4.471 10.812 7.413 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.243 11.744 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.572 13.799 5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.606 12.358 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.302 13.070 6.687 1.00 0.00 H new ATOM 294 N ILE A 20 -1.555 13.168 5.962 1.00 0.00 N ATOM 295 CA ILE A 20 -0.480 13.932 6.560 1.00 0.00 C ATOM 296 C ILE A 20 -0.627 15.383 6.115 1.00 0.00 C ATOM 297 O ILE A 20 -1.432 15.686 5.232 1.00 0.00 O ATOM 298 CB ILE A 20 0.903 13.375 6.130 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.923 11.846 6.243 1.00 0.00 C ATOM 300 CG2 ILE A 20 2.024 13.974 6.971 1.00 0.00 C ATOM 301 CD1 ILE A 20 2.204 11.213 5.740 1.00 0.00 C ATOM 0 H ILE A 20 -1.460 13.037 4.955 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.538 13.860 7.646 1.00 0.00 H new ATOM 0 HB ILE A 20 1.067 13.657 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.775 11.566 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.082 11.438 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.981 13.565 6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.032 15.057 6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.862 13.729 8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.143 10.130 5.852 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.344 11.461 4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.048 11.591 6.317 1.00 0.00 H new ATOM 313 N ARG A 21 0.106 16.280 6.736 1.00 0.00 N ATOM 314 CA ARG A 21 0.077 17.676 6.352 1.00 0.00 C ATOM 315 C ARG A 21 1.495 18.208 6.210 1.00 0.00 C ATOM 316 O ARG A 21 2.354 17.928 7.046 1.00 0.00 O ATOM 317 CB ARG A 21 -0.705 18.491 7.383 1.00 0.00 C ATOM 318 CG ARG A 21 -0.783 19.976 7.075 1.00 0.00 C ATOM 319 CD ARG A 21 -1.664 20.697 8.080 1.00 0.00 C ATOM 320 NE ARG A 21 -1.662 22.146 7.877 1.00 0.00 N ATOM 321 CZ ARG A 21 -2.570 22.971 8.394 1.00 0.00 C ATOM 322 NH1 ARG A 21 -3.566 22.496 9.137 1.00 0.00 N ATOM 323 NH2 ARG A 21 -2.482 24.273 8.175 1.00 0.00 N ATOM 0 H ARG A 21 0.732 16.068 7.512 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.425 17.769 5.389 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.717 18.092 7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.242 18.358 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.218 20.407 7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.178 20.122 6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.684 20.322 8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.319 20.473 9.089 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.920 22.548 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.637 21.494 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.258 23.134 9.530 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.718 24.645 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.178 24.905 8.571 1.00 0.00 H new ATOM 494 N SER A 34 0.973 20.198 0.537 1.00 0.00 N ATOM 495 CA SER A 34 1.235 18.905 -0.054 1.00 0.00 C ATOM 496 C SER A 34 0.130 17.915 0.292 1.00 0.00 C ATOM 497 O SER A 34 -0.373 17.909 1.419 1.00 0.00 O ATOM 498 CB SER A 34 2.576 18.385 0.449 1.00 0.00 C ATOM 499 OG SER A 34 3.571 19.392 0.371 1.00 0.00 O ATOM 0 HA SER A 34 1.265 19.014 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.476 18.047 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.880 17.521 -0.142 1.00 0.00 H new ATOM 0 HG SER A 34 3.158 20.271 0.500 1.00 0.00 H new ATOM 505 N SER A 35 -0.241 17.099 -0.687 1.00 0.00 N ATOM 506 CA SER A 35 -1.248 16.067 -0.506 1.00 0.00 C ATOM 507 C SER A 35 -0.896 15.180 0.685 1.00 0.00 C ATOM 508 O SER A 35 -1.654 15.101 1.651 1.00 0.00 O ATOM 509 CB SER A 35 -1.340 15.241 -1.789 1.00 0.00 C ATOM 510 OG SER A 35 -0.045 14.954 -2.293 1.00 0.00 O ATOM 0 H SER A 35 0.150 17.136 -1.629 1.00 0.00 H new ATOM 0 HA SER A 35 -2.214 16.527 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.873 14.311 -1.592 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.915 15.786 -2.538 1.00 0.00 H new ATOM 0 HG SER A 35 -0.066 14.964 -3.273 1.00 0.00 H new ATOM 516 N ALA A 36 0.266 14.536 0.590 1.00 0.00 N ATOM 517 CA ALA A 36 0.843 13.744 1.676 1.00 0.00 C ATOM 518 C ALA A 36 -0.153 12.778 2.321 1.00 0.00 C ATOM 519 O ALA A 36 -0.786 13.095 3.325 1.00 0.00 O ATOM 520 CB ALA A 36 1.445 14.662 2.728 1.00 0.00 C ATOM 0 H ALA A 36 0.840 14.549 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 36 1.623 13.127 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.872 14.063 3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.227 15.271 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.668 15.311 3.132 1.00 0.00 H new ATOM 526 N MET A 37 -0.298 11.605 1.739 1.00 0.00 N ATOM 527 CA MET A 37 -1.082 10.553 2.363 1.00 0.00 C ATOM 528 C MET A 37 -0.170 9.557 3.051 1.00 0.00 C ATOM 529 O MET A 37 0.989 9.377 2.675 1.00 0.00 O ATOM 530 CB MET A 37 -1.960 9.816 1.355 1.00 0.00 C ATOM 531 CG MET A 37 -3.329 10.441 1.139 1.00 0.00 C ATOM 532 SD MET A 37 -4.397 9.421 0.110 1.00 0.00 S ATOM 533 CE MET A 37 -5.972 10.236 0.359 1.00 0.00 C ATOM 0 H MET A 37 0.113 11.355 0.840 1.00 0.00 H new ATOM 0 HA MET A 37 -1.733 11.031 3.094 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.438 9.775 0.399 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.093 8.787 1.691 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.807 10.603 2.105 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.209 11.420 0.674 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.719 9.501 0.658 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.872 10.990 1.140 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.285 10.714 -0.569 1.00 0.00 H new ATOM 543 N HIS A 38 -0.709 8.915 4.057 1.00 0.00 N ATOM 544 CA HIS A 38 0.001 7.900 4.804 1.00 0.00 C ATOM 545 C HIS A 38 -0.679 6.568 4.581 1.00 0.00 C ATOM 546 O HIS A 38 -1.869 6.406 4.844 1.00 0.00 O ATOM 547 CB HIS A 38 0.027 8.258 6.284 1.00 0.00 C ATOM 548 CG HIS A 38 0.571 7.194 7.183 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.231 6.318 7.875 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.842 6.884 7.520 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.521 5.517 8.602 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.788 5.836 8.406 1.00 0.00 N ATOM 0 H HIS A 38 -1.660 9.081 4.385 1.00 0.00 H new ATOM 0 HA HIS A 38 1.033 7.838 4.460 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.623 9.161 6.413 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.988 8.497 6.602 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.736 7.371 7.159 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.162 4.731 9.250 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.591 5.381 8.840 1.00 0.00 H new ATOM 561 N LEU A 39 0.081 5.626 4.087 1.00 0.00 N ATOM 562 CA LEU A 39 -0.463 4.335 3.716 1.00 0.00 C ATOM 563 C LEU A 39 -0.260 3.329 4.829 1.00 0.00 C ATOM 564 O LEU A 39 0.856 3.154 5.320 1.00 0.00 O ATOM 565 CB LEU A 39 0.193 3.814 2.428 1.00 0.00 C ATOM 566 CG LEU A 39 -0.433 4.292 1.112 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.860 3.787 0.990 1.00 0.00 C ATOM 568 CD2 LEU A 39 -0.393 5.809 0.999 1.00 0.00 C ATOM 0 H LEU A 39 1.084 5.724 3.930 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.531 4.464 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.243 4.107 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.166 2.724 2.445 1.00 0.00 H new ATOM 0 HG LEU A 39 0.156 3.881 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.290 4.135 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.863 2.697 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.453 4.166 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.844 6.116 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.948 6.250 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.642 6.149 1.034 1.00 0.00 H new ATOM 580 N ARG A 40 -1.342 2.695 5.242 1.00 0.00 N ATOM 581 CA ARG A 40 -1.256 1.569 6.147 1.00 0.00 C ATOM 582 C ARG A 40 -2.046 0.390 5.591 1.00 0.00 C ATOM 583 O ARG A 40 -3.256 0.484 5.390 1.00 0.00 O ATOM 584 CB ARG A 40 -1.785 1.923 7.539 1.00 0.00 C ATOM 585 CG ARG A 40 -1.888 0.707 8.444 1.00 0.00 C ATOM 586 CD ARG A 40 -2.671 0.996 9.711 1.00 0.00 C ATOM 587 NE ARG A 40 -2.938 -0.237 10.455 1.00 0.00 N ATOM 588 CZ ARG A 40 -3.549 -0.293 11.637 1.00 0.00 C ATOM 589 NH1 ARG A 40 -3.924 0.813 12.267 1.00 0.00 N ATOM 590 NH2 ARG A 40 -3.776 -1.470 12.190 1.00 0.00 N ATOM 0 H ARG A 40 -2.291 2.943 4.963 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.204 1.300 6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.127 2.660 7.999 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.767 2.387 7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.368 -0.107 7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.886 0.368 8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.111 1.690 10.338 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.612 1.483 9.458 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.634 -1.117 10.038 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.745 1.725 11.846 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.391 0.751 13.172 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.484 -2.323 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.243 -1.527 13.095 1.00 0.00 H new ATOM 604 N PHE A 41 -1.358 -0.703 5.327 1.00 0.00 N ATOM 605 CA PHE A 41 -2.019 -1.933 4.933 1.00 0.00 C ATOM 606 C PHE A 41 -1.485 -3.081 5.773 1.00 0.00 C ATOM 607 O PHE A 41 -0.315 -3.453 5.665 1.00 0.00 O ATOM 608 CB PHE A 41 -1.824 -2.213 3.438 1.00 0.00 C ATOM 609 CG PHE A 41 -2.489 -3.475 2.968 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.860 -3.516 2.776 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.746 -4.615 2.712 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.478 -4.670 2.337 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.357 -5.773 2.276 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.726 -5.802 2.087 1.00 0.00 C ATOM 0 H PHE A 41 -0.341 -0.765 5.378 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.090 -1.829 5.106 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.215 -1.372 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.757 -2.274 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.453 -2.635 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.676 -4.598 2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.548 -4.688 2.189 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.766 -6.656 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.206 -6.707 1.745 1.00 0.00 H new ATOM 624 N ASP A 42 -2.337 -3.613 6.636 1.00 0.00 N ATOM 625 CA ASP A 42 -1.947 -4.701 7.519 1.00 0.00 C ATOM 626 C ASP A 42 -1.959 -6.018 6.765 1.00 0.00 C ATOM 627 O ASP A 42 -3.014 -6.616 6.563 1.00 0.00 O ATOM 628 CB ASP A 42 -2.894 -4.798 8.720 1.00 0.00 C ATOM 629 CG ASP A 42 -3.065 -3.483 9.455 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.257 -3.180 10.356 1.00 0.00 O ATOM 631 OD2 ASP A 42 -4.024 -2.749 9.141 1.00 0.00 O ATOM 0 H ASP A 42 -3.304 -3.308 6.744 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.939 -4.495 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.869 -5.145 8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.514 -5.548 9.414 1.00 0.00 H new ATOM 636 N ILE A 43 -0.789 -6.466 6.337 1.00 0.00 N ATOM 637 CA ILE A 43 -0.672 -7.749 5.659 1.00 0.00 C ATOM 638 C ILE A 43 -1.127 -8.860 6.597 1.00 0.00 C ATOM 639 O ILE A 43 -1.726 -9.842 6.178 1.00 0.00 O ATOM 640 CB ILE A 43 0.780 -8.030 5.213 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.311 -6.879 4.355 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.865 -9.342 4.449 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.765 -7.036 3.960 1.00 0.00 C ATOM 0 H ILE A 43 0.091 -5.962 6.446 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.301 -7.716 4.770 1.00 0.00 H new ATOM 0 HB ILE A 43 1.400 -8.112 6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.705 -6.800 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.191 -5.944 4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.896 -9.520 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.530 -10.158 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.230 -9.290 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.071 -6.184 3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.383 -7.084 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.889 -7.954 3.385 1.00 0.00 H new ATOM 655 N ASN A 44 -0.856 -8.663 7.879 1.00 0.00 N ATOM 656 CA ASN A 44 -1.223 -9.617 8.911 1.00 0.00 C ATOM 657 C ASN A 44 -2.742 -9.767 9.016 1.00 0.00 C ATOM 658 O ASN A 44 -3.266 -10.878 8.986 1.00 0.00 O ATOM 659 CB ASN A 44 -0.662 -9.139 10.249 1.00 0.00 C ATOM 660 CG ASN A 44 -0.417 -10.266 11.234 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.083 -11.303 11.205 1.00 0.00 O ATOM 662 ND2 ASN A 44 0.544 -10.063 12.116 1.00 0.00 N ATOM 0 H ASN A 44 -0.375 -7.836 8.232 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.807 -10.590 8.650 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.274 -8.609 10.074 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.356 -8.424 10.691 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.760 -10.780 12.809 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.071 -9.190 12.104 1.00 0.00 H new ATOM 669 N ALA A 45 -3.445 -8.643 9.103 1.00 0.00 N ATOM 670 CA ALA A 45 -4.868 -8.651 9.442 1.00 0.00 C ATOM 671 C ALA A 45 -5.781 -8.572 8.216 1.00 0.00 C ATOM 672 O ALA A 45 -7.005 -8.537 8.355 1.00 0.00 O ATOM 673 CB ALA A 45 -5.175 -7.508 10.396 1.00 0.00 C ATOM 0 H ALA A 45 -3.055 -7.714 8.944 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.074 -9.608 9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.236 -7.518 10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.587 -7.626 11.306 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.923 -6.560 9.921 1.00 0.00 H new ATOM 679 N SER A 46 -5.204 -8.545 7.025 1.00 0.00 N ATOM 680 CA SER A 46 -6.005 -8.479 5.809 1.00 0.00 C ATOM 681 C SER A 46 -6.598 -9.846 5.473 1.00 0.00 C ATOM 682 O SER A 46 -6.124 -10.878 5.958 1.00 0.00 O ATOM 683 CB SER A 46 -5.168 -7.952 4.646 1.00 0.00 C ATOM 684 OG SER A 46 -3.902 -8.589 4.600 1.00 0.00 O ATOM 0 H SER A 46 -4.196 -8.567 6.873 1.00 0.00 H new ATOM 0 HA SER A 46 -6.830 -7.787 5.980 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.697 -8.119 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.034 -6.875 4.749 1.00 0.00 H new ATOM 0 HG SER A 46 -3.288 -8.143 5.220 1.00 0.00 H new ATOM 690 N SER A 47 -7.634 -9.847 4.641 1.00 0.00 N ATOM 691 CA SER A 47 -8.347 -11.069 4.280 1.00 0.00 C ATOM 692 C SER A 47 -7.522 -11.937 3.320 1.00 0.00 C ATOM 693 O SER A 47 -7.979 -12.997 2.875 1.00 0.00 O ATOM 694 CB SER A 47 -9.705 -10.704 3.655 1.00 0.00 C ATOM 695 OG SER A 47 -10.537 -11.845 3.500 1.00 0.00 O ATOM 0 H SER A 47 -8.003 -9.005 4.199 1.00 0.00 H new ATOM 0 HA SER A 47 -8.512 -11.655 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.209 -9.969 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.544 -10.236 2.684 1.00 0.00 H new ATOM 0 HG SER A 47 -9.992 -12.612 3.225 1.00 0.00 H new ATOM 701 N LEU A 48 -6.304 -11.496 3.016 1.00 0.00 N ATOM 702 CA LEU A 48 -5.403 -12.238 2.144 1.00 0.00 C ATOM 703 C LEU A 48 -5.054 -13.596 2.746 1.00 0.00 C ATOM 704 O LEU A 48 -4.881 -13.726 3.958 1.00 0.00 O ATOM 705 CB LEU A 48 -4.116 -11.445 1.908 1.00 0.00 C ATOM 706 CG LEU A 48 -4.252 -10.218 1.012 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.947 -9.441 0.977 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.662 -10.630 -0.393 1.00 0.00 C ATOM 0 H LEU A 48 -5.917 -10.619 3.366 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.914 -12.394 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.725 -11.126 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.375 -12.113 1.469 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.028 -9.573 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.060 -8.569 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.689 -9.117 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.154 -10.079 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.755 -9.743 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.906 -11.294 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.620 -11.149 -0.355 1.00 0.00 H new ATOM 720 N PRO A 49 -4.962 -14.635 1.905 1.00 0.00 N ATOM 721 CA PRO A 49 -4.504 -15.955 2.330 1.00 0.00 C ATOM 722 C PRO A 49 -3.016 -15.940 2.680 1.00 0.00 C ATOM 723 O PRO A 49 -2.261 -15.109 2.163 1.00 0.00 O ATOM 724 CB PRO A 49 -4.755 -16.849 1.102 1.00 0.00 C ATOM 725 CG PRO A 49 -5.634 -16.049 0.197 1.00 0.00 C ATOM 726 CD PRO A 49 -5.314 -14.612 0.479 1.00 0.00 C ATOM 0 HA PRO A 49 -5.021 -16.302 3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.819 -17.110 0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.236 -17.784 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.444 -16.294 -0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.686 -16.260 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.489 -14.252 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.166 -13.961 0.282 1.00 0.00 H new ATOM 734 N PRO A 50 -2.575 -16.855 3.560 1.00 0.00 N ATOM 735 CA PRO A 50 -1.171 -16.954 3.978 1.00 0.00 C ATOM 736 C PRO A 50 -0.219 -17.097 2.793 1.00 0.00 C ATOM 737 O PRO A 50 0.937 -16.690 2.868 1.00 0.00 O ATOM 738 CB PRO A 50 -1.130 -18.209 4.856 1.00 0.00 C ATOM 739 CG PRO A 50 -2.421 -18.917 4.611 1.00 0.00 C ATOM 740 CD PRO A 50 -3.412 -17.859 4.234 1.00 0.00 C ATOM 0 HA PRO A 50 -0.845 -16.053 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.281 -18.841 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.021 -17.947 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.316 -19.654 3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.745 -19.455 5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.188 -18.248 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.915 -17.446 5.108 1.00 0.00 H new ATOM 748 N PHE A 51 -0.725 -17.667 1.705 1.00 0.00 N ATOM 749 CA PHE A 51 0.042 -17.810 0.471 1.00 0.00 C ATOM 750 C PHE A 51 0.608 -16.466 0.015 1.00 0.00 C ATOM 751 O PHE A 51 1.810 -16.333 -0.224 1.00 0.00 O ATOM 752 CB PHE A 51 -0.846 -18.399 -0.628 1.00 0.00 C ATOM 753 CG PHE A 51 -0.139 -18.617 -1.938 1.00 0.00 C ATOM 754 CD1 PHE A 51 0.714 -19.696 -2.109 1.00 0.00 C ATOM 755 CD2 PHE A 51 -0.328 -17.741 -2.997 1.00 0.00 C ATOM 756 CE1 PHE A 51 1.363 -19.900 -3.312 1.00 0.00 C ATOM 757 CE2 PHE A 51 0.317 -17.941 -4.202 1.00 0.00 C ATOM 758 CZ PHE A 51 1.165 -19.022 -4.361 1.00 0.00 C ATOM 0 H PHE A 51 -1.672 -18.041 1.652 1.00 0.00 H new ATOM 0 HA PHE A 51 0.877 -18.483 0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.250 -19.351 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.694 -17.733 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.873 -20.385 -1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.987 -16.893 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.025 -20.745 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.159 -17.253 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.671 -19.180 -5.302 1.00 0.00 H new ATOM 768 N TYR A 52 -0.261 -15.467 -0.091 1.00 0.00 N ATOM 769 CA TYR A 52 0.141 -14.150 -0.548 1.00 0.00 C ATOM 770 C TYR A 52 0.919 -13.414 0.534 1.00 0.00 C ATOM 771 O TYR A 52 1.859 -12.677 0.238 1.00 0.00 O ATOM 772 CB TYR A 52 -1.083 -13.346 -0.973 1.00 0.00 C ATOM 773 CG TYR A 52 -1.660 -13.788 -2.301 1.00 0.00 C ATOM 774 CD1 TYR A 52 -1.008 -13.486 -3.489 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.847 -14.503 -2.367 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.521 -13.887 -4.706 1.00 0.00 C ATOM 777 CE2 TYR A 52 -3.367 -14.911 -3.583 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.701 -14.597 -4.751 1.00 0.00 C ATOM 779 OH TYR A 52 -3.212 -15.002 -5.963 1.00 0.00 O ATOM 0 H TYR A 52 -1.252 -15.549 0.136 1.00 0.00 H new ATOM 0 HA TYR A 52 0.797 -14.269 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.851 -13.433 -0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.813 -12.292 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.084 -12.928 -3.460 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.373 -14.745 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.999 -13.645 -5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.289 -15.472 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.108 -14.624 -6.083 1.00 0.00 H new ATOM 789 N LYS A 53 0.526 -13.628 1.786 1.00 0.00 N ATOM 790 CA LYS A 53 1.236 -13.047 2.921 1.00 0.00 C ATOM 791 C LYS A 53 2.689 -13.508 2.929 1.00 0.00 C ATOM 792 O LYS A 53 3.603 -12.718 3.161 1.00 0.00 O ATOM 793 CB LYS A 53 0.559 -13.448 4.235 1.00 0.00 C ATOM 794 CG LYS A 53 -0.827 -12.858 4.417 1.00 0.00 C ATOM 795 CD LYS A 53 -1.480 -13.375 5.685 1.00 0.00 C ATOM 796 CE LYS A 53 -2.775 -12.641 5.990 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.413 -13.148 7.229 1.00 0.00 N ATOM 0 H LYS A 53 -0.280 -14.199 2.040 1.00 0.00 H new ATOM 0 HA LYS A 53 1.208 -11.962 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.489 -14.535 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.189 -13.134 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.760 -11.771 4.456 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.448 -13.108 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.682 -14.441 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.791 -13.260 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.573 -11.575 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.464 -12.755 5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.390 -13.439 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.877 -13.964 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.420 -12.397 7.948 1.00 0.00 H new ATOM 811 N GLU A 54 2.880 -14.793 2.661 1.00 0.00 N ATOM 812 CA GLU A 54 4.205 -15.394 2.591 1.00 0.00 C ATOM 813 C GLU A 54 5.068 -14.684 1.563 1.00 0.00 C ATOM 814 O GLU A 54 6.186 -14.267 1.853 1.00 0.00 O ATOM 815 CB GLU A 54 4.077 -16.861 2.206 1.00 0.00 C ATOM 816 CG GLU A 54 5.385 -17.622 2.244 1.00 0.00 C ATOM 817 CD GLU A 54 5.207 -19.071 1.861 1.00 0.00 C ATOM 818 OE1 GLU A 54 4.798 -19.869 2.730 1.00 0.00 O ATOM 819 OE2 GLU A 54 5.470 -19.422 0.692 1.00 0.00 O ATOM 0 H GLU A 54 2.119 -15.449 2.486 1.00 0.00 H new ATOM 0 HA GLU A 54 4.677 -15.301 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.368 -17.343 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.658 -16.928 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.097 -17.153 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.811 -17.561 3.246 1.00 0.00 H new ATOM 826 N ARG A 55 4.524 -14.563 0.362 1.00 0.00 N ATOM 827 CA ARG A 55 5.225 -13.942 -0.753 1.00 0.00 C ATOM 828 C ARG A 55 5.709 -12.538 -0.400 1.00 0.00 C ATOM 829 O ARG A 55 6.809 -12.143 -0.773 1.00 0.00 O ATOM 830 CB ARG A 55 4.316 -13.882 -1.985 1.00 0.00 C ATOM 831 CG ARG A 55 3.850 -15.244 -2.468 1.00 0.00 C ATOM 832 CD ARG A 55 5.017 -16.161 -2.793 1.00 0.00 C ATOM 833 NE ARG A 55 5.873 -15.615 -3.846 1.00 0.00 N ATOM 834 CZ ARG A 55 6.889 -16.276 -4.397 1.00 0.00 C ATOM 835 NH1 ARG A 55 7.191 -17.502 -3.985 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.612 -15.705 -5.353 1.00 0.00 N ATOM 0 H ARG A 55 3.586 -14.892 0.132 1.00 0.00 H new ATOM 0 HA ARG A 55 6.098 -14.556 -0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.444 -13.271 -1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.848 -13.382 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.227 -15.707 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.227 -15.121 -3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.610 -16.324 -1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.637 -17.134 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 55 5.680 -14.670 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.644 -17.940 -3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.970 -18.005 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.389 -14.760 -5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.390 -16.211 -5.775 1.00 0.00 H new ATOM 850 N LEU A 56 4.878 -11.797 0.319 1.00 0.00 N ATOM 851 CA LEU A 56 5.215 -10.440 0.727 1.00 0.00 C ATOM 852 C LEU A 56 6.260 -10.438 1.841 1.00 0.00 C ATOM 853 O LEU A 56 7.234 -9.691 1.792 1.00 0.00 O ATOM 854 CB LEU A 56 3.958 -9.713 1.196 1.00 0.00 C ATOM 855 CG LEU A 56 2.912 -9.457 0.110 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.681 -8.787 0.699 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.496 -8.609 -1.010 1.00 0.00 C ATOM 0 H LEU A 56 3.961 -12.114 0.633 1.00 0.00 H new ATOM 0 HA LEU A 56 5.637 -9.923 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.496 -10.296 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.251 -8.757 1.629 1.00 0.00 H new ATOM 0 HG LEU A 56 2.613 -10.418 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.949 -8.613 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.246 -9.432 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.964 -7.835 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.735 -8.439 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.827 -7.652 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.345 -9.128 -1.455 1.00 0.00 H new ATOM 869 N LEU A 57 6.042 -11.281 2.838 1.00 0.00 N ATOM 870 CA LEU A 57 6.902 -11.359 3.997 1.00 0.00 C ATOM 871 C LEU A 57 8.300 -11.838 3.624 1.00 0.00 C ATOM 872 O LEU A 57 9.302 -11.323 4.117 1.00 0.00 O ATOM 873 CB LEU A 57 6.270 -12.317 4.998 1.00 0.00 C ATOM 874 CG LEU A 57 7.137 -12.656 6.195 1.00 0.00 C ATOM 875 CD1 LEU A 57 7.390 -11.424 7.048 1.00 0.00 C ATOM 876 CD2 LEU A 57 6.500 -13.766 7.018 1.00 0.00 C ATOM 0 H LEU A 57 5.257 -11.932 2.861 1.00 0.00 H new ATOM 0 HA LEU A 57 7.006 -10.365 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.337 -11.882 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.013 -13.241 4.481 1.00 0.00 H new ATOM 0 HG LEU A 57 8.100 -13.012 5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.014 -11.693 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.898 -10.666 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.440 -11.027 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.136 -13.996 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.521 -13.441 7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.386 -14.657 6.401 1.00 0.00 H new ATOM 888 N ALA A 58 8.352 -12.830 2.753 1.00 0.00 N ATOM 889 CA ALA A 58 9.616 -13.437 2.350 1.00 0.00 C ATOM 890 C ALA A 58 10.287 -12.671 1.209 1.00 0.00 C ATOM 891 O ALA A 58 11.131 -13.221 0.498 1.00 0.00 O ATOM 892 CB ALA A 58 9.393 -14.889 1.950 1.00 0.00 C ATOM 0 H ALA A 58 7.530 -13.237 2.307 1.00 0.00 H new ATOM 0 HA ALA A 58 10.288 -13.394 3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.342 -15.334 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.984 -15.441 2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.693 -14.933 1.116 1.00 0.00 H new ATOM 898 N LEU A 59 9.927 -11.404 1.041 1.00 0.00 N ATOM 899 CA LEU A 59 10.517 -10.579 0.023 1.00 0.00 C ATOM 900 C LEU A 59 11.781 -9.897 0.529 1.00 0.00 C ATOM 901 O LEU A 59 12.145 -10.007 1.698 1.00 0.00 O ATOM 902 CB LEU A 59 9.507 -9.529 -0.422 1.00 0.00 C ATOM 903 CG LEU A 59 8.697 -9.877 -1.673 1.00 0.00 C ATOM 904 CD1 LEU A 59 7.802 -8.714 -2.063 1.00 0.00 C ATOM 905 CD2 LEU A 59 9.616 -10.257 -2.826 1.00 0.00 C ATOM 0 H LEU A 59 9.222 -10.933 1.608 1.00 0.00 H new ATOM 0 HA LEU A 59 10.791 -11.213 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.813 -9.348 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.038 -8.594 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 59 8.068 -10.738 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.232 -8.976 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.116 -8.493 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.415 -7.837 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.017 -10.500 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.275 -9.420 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.215 -11.123 -2.544 1.00 0.00 H new ATOM 917 N ASN A 60 12.445 -9.195 -0.372 1.00 0.00 N ATOM 918 CA ASN A 60 13.636 -8.425 -0.038 1.00 0.00 C ATOM 919 C ASN A 60 13.309 -6.945 -0.154 1.00 0.00 C ATOM 920 O ASN A 60 14.182 -6.080 -0.191 1.00 0.00 O ATOM 921 CB ASN A 60 14.767 -8.800 -0.993 1.00 0.00 C ATOM 922 CG ASN A 60 16.100 -8.163 -0.637 1.00 0.00 C ATOM 923 OD1 ASN A 60 16.395 -7.912 0.530 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.917 -7.900 -1.645 1.00 0.00 N ATOM 0 H ASN A 60 12.177 -9.141 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 60 13.955 -8.643 0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.882 -9.884 -0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.491 -8.503 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.827 -7.475 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.637 -8.123 -2.600 1.00 0.00 H new ATOM 931 N ASP A 61 12.022 -6.667 -0.198 1.00 0.00 N ATOM 932 CA ASP A 61 11.537 -5.329 -0.480 1.00 0.00 C ATOM 933 C ASP A 61 11.456 -4.507 0.795 1.00 0.00 C ATOM 934 O ASP A 61 10.844 -4.918 1.778 1.00 0.00 O ATOM 935 CB ASP A 61 10.173 -5.393 -1.153 1.00 0.00 C ATOM 936 CG ASP A 61 9.968 -4.240 -2.100 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.883 -3.088 -1.628 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.924 -4.481 -3.323 1.00 0.00 O ATOM 0 H ASP A 61 11.286 -7.356 -0.041 1.00 0.00 H new ATOM 0 HA ASP A 61 12.241 -4.845 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.079 -6.333 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.391 -5.384 -0.394 1.00 0.00 H new ATOM 943 N SER A 62 12.065 -3.338 0.759 1.00 0.00 N ATOM 944 CA SER A 62 12.192 -2.495 1.939 1.00 0.00 C ATOM 945 C SER A 62 10.951 -1.632 2.192 1.00 0.00 C ATOM 946 O SER A 62 10.938 -0.807 3.112 1.00 0.00 O ATOM 947 CB SER A 62 13.445 -1.629 1.811 1.00 0.00 C ATOM 948 OG SER A 62 13.640 -1.210 0.471 1.00 0.00 O ATOM 0 H SER A 62 12.485 -2.944 -0.083 1.00 0.00 H new ATOM 0 HA SER A 62 12.284 -3.149 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.356 -0.757 2.459 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.315 -2.191 2.150 1.00 0.00 H new ATOM 0 HG SER A 62 14.447 -0.656 0.416 1.00 0.00 H new ATOM 954 N ARG A 63 9.909 -1.820 1.390 1.00 0.00 N ATOM 955 CA ARG A 63 8.635 -1.158 1.652 1.00 0.00 C ATOM 956 C ARG A 63 7.778 -2.046 2.550 1.00 0.00 C ATOM 957 O ARG A 63 6.710 -1.647 3.013 1.00 0.00 O ATOM 958 CB ARG A 63 7.882 -0.845 0.350 1.00 0.00 C ATOM 959 CG ARG A 63 7.376 -2.076 -0.383 1.00 0.00 C ATOM 960 CD ARG A 63 6.523 -1.706 -1.588 1.00 0.00 C ATOM 961 NE ARG A 63 7.252 -0.896 -2.564 1.00 0.00 N ATOM 962 CZ ARG A 63 7.142 -1.035 -3.886 1.00 0.00 C ATOM 963 NH1 ARG A 63 6.365 -1.981 -4.402 1.00 0.00 N ATOM 964 NH2 ARG A 63 7.809 -0.224 -4.693 1.00 0.00 N ATOM 0 H ARG A 63 9.919 -2.417 0.563 1.00 0.00 H new ATOM 0 HA ARG A 63 8.839 -0.211 2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.036 -0.198 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.541 -0.285 -0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.224 -2.679 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.791 -2.691 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.167 -2.616 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.643 -1.158 -1.251 1.00 0.00 H new ATOM 0 HE ARG A 63 7.885 -0.179 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.847 -2.608 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.286 -2.081 -5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.406 0.506 -4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.726 -0.329 -5.704 1.00 0.00 H new ATOM 978 N ILE A 64 8.270 -3.252 2.791 1.00 0.00 N ATOM 979 CA ILE A 64 7.571 -4.230 3.601 1.00 0.00 C ATOM 980 C ILE A 64 8.296 -4.424 4.929 1.00 0.00 C ATOM 981 O ILE A 64 9.513 -4.594 4.958 1.00 0.00 O ATOM 982 CB ILE A 64 7.469 -5.585 2.859 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.746 -5.392 1.522 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.746 -6.618 3.713 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.657 -6.648 0.679 1.00 0.00 C ATOM 0 H ILE A 64 9.166 -3.577 2.429 1.00 0.00 H new ATOM 0 HA ILE A 64 6.563 -3.860 3.790 1.00 0.00 H new ATOM 0 HB ILE A 64 8.476 -5.954 2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.738 -5.026 1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.261 -4.620 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.687 -7.561 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.293 -6.768 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.740 -6.265 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.131 -6.426 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.661 -7.005 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.114 -7.417 1.228 1.00 0.00 H new ATOM 997 N THR A 65 7.554 -4.364 6.028 1.00 0.00 N ATOM 998 CA THR A 65 8.136 -4.576 7.341 1.00 0.00 C ATOM 999 C THR A 65 8.061 -6.049 7.729 1.00 0.00 C ATOM 1000 O THR A 65 7.140 -6.757 7.320 1.00 0.00 O ATOM 1001 CB THR A 65 7.436 -3.729 8.420 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.036 -4.027 8.448 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.640 -2.245 8.159 1.00 0.00 C ATOM 0 H THR A 65 6.552 -4.171 6.033 1.00 0.00 H new ATOM 0 HA THR A 65 9.179 -4.265 7.283 1.00 0.00 H new ATOM 0 HB THR A 65 7.877 -3.976 9.386 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.568 -3.460 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.137 -1.667 8.934 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.706 -2.017 8.170 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.224 -1.986 7.185 1.00 0.00 H new ATOM 1011 N SER A 66 9.015 -6.495 8.535 1.00 0.00 N ATOM 1012 CA SER A 66 9.105 -7.893 8.937 1.00 0.00 C ATOM 1013 C SER A 66 7.898 -8.332 9.774 1.00 0.00 C ATOM 1014 O SER A 66 7.676 -9.523 9.983 1.00 0.00 O ATOM 1015 CB SER A 66 10.390 -8.093 9.734 1.00 0.00 C ATOM 1016 OG SER A 66 11.467 -7.381 9.144 1.00 0.00 O ATOM 0 H SER A 66 9.746 -5.901 8.927 1.00 0.00 H new ATOM 0 HA SER A 66 9.113 -8.508 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.243 -7.754 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.633 -9.155 9.781 1.00 0.00 H new ATOM 0 HG SER A 66 12.280 -7.522 9.672 1.00 0.00 H new ATOM 1022 N ASP A 67 7.127 -7.366 10.261 1.00 0.00 N ATOM 1023 CA ASP A 67 5.950 -7.659 11.079 1.00 0.00 C ATOM 1024 C ASP A 67 4.726 -7.884 10.194 1.00 0.00 C ATOM 1025 O ASP A 67 3.696 -8.383 10.646 1.00 0.00 O ATOM 1026 CB ASP A 67 5.692 -6.517 12.068 1.00 0.00 C ATOM 1027 CG ASP A 67 4.558 -6.812 13.037 1.00 0.00 C ATOM 1028 OD1 ASP A 67 4.704 -7.733 13.868 1.00 0.00 O ATOM 1029 OD2 ASP A 67 3.524 -6.115 12.982 1.00 0.00 O ATOM 0 H ASP A 67 7.294 -6.372 10.105 1.00 0.00 H new ATOM 0 HA ASP A 67 6.139 -8.572 11.643 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.603 -6.321 12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.460 -5.608 11.512 1.00 0.00 H new ATOM 1034 N GLY A 68 4.851 -7.530 8.922 1.00 0.00 N ATOM 1035 CA GLY A 68 3.748 -7.702 7.999 1.00 0.00 C ATOM 1036 C GLY A 68 2.864 -6.476 7.917 1.00 0.00 C ATOM 1037 O GLY A 68 1.641 -6.587 7.833 1.00 0.00 O ATOM 0 H GLY A 68 5.695 -7.128 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.140 -7.930 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.149 -8.558 8.310 1.00 0.00 H new ATOM 1041 N VAL A 69 3.476 -5.303 7.952 1.00 0.00 N ATOM 1042 CA VAL A 69 2.735 -4.057 7.840 1.00 0.00 C ATOM 1043 C VAL A 69 3.275 -3.219 6.689 1.00 0.00 C ATOM 1044 O VAL A 69 4.484 -3.009 6.576 1.00 0.00 O ATOM 1045 CB VAL A 69 2.815 -3.225 9.138 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.952 -1.971 9.036 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.408 -4.055 10.344 1.00 0.00 C ATOM 0 H VAL A 69 4.484 -5.188 8.057 1.00 0.00 H new ATOM 0 HA VAL A 69 1.694 -4.321 7.656 1.00 0.00 H new ATOM 0 HB VAL A 69 3.852 -2.917 9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.026 -1.402 9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.299 -1.357 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.914 -2.257 8.867 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.473 -3.445 11.245 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.383 -4.404 10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.075 -4.912 10.437 1.00 0.00 H new ATOM 1057 N ILE A 70 2.380 -2.753 5.838 1.00 0.00 N ATOM 1058 CA ILE A 70 2.746 -1.871 4.742 1.00 0.00 C ATOM 1059 C ILE A 70 2.538 -0.423 5.155 1.00 0.00 C ATOM 1060 O ILE A 70 1.422 -0.023 5.490 1.00 0.00 O ATOM 1061 CB ILE A 70 1.913 -2.168 3.476 1.00 0.00 C ATOM 1062 CG1 ILE A 70 2.243 -3.558 2.931 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.130 -1.107 2.405 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.690 -3.726 2.511 1.00 0.00 C ATOM 0 H ILE A 70 1.385 -2.972 5.885 1.00 0.00 H new ATOM 0 HA ILE A 70 3.797 -2.045 4.509 1.00 0.00 H new ATOM 0 HB ILE A 70 0.860 -2.144 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.007 -4.301 3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.600 -3.764 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.529 -1.347 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.833 -0.133 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.184 -1.081 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.845 -4.738 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.927 -3.008 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.340 -3.554 3.369 1.00 0.00 H new ATOM 1076 N VAL A 71 3.616 0.349 5.149 1.00 0.00 N ATOM 1077 CA VAL A 71 3.555 1.755 5.513 1.00 0.00 C ATOM 1078 C VAL A 71 4.366 2.605 4.542 1.00 0.00 C ATOM 1079 O VAL A 71 5.579 2.437 4.398 1.00 0.00 O ATOM 1080 CB VAL A 71 4.031 1.989 6.965 1.00 0.00 C ATOM 1081 CG1 VAL A 71 5.398 1.365 7.219 1.00 0.00 C ATOM 1082 CG2 VAL A 71 4.055 3.476 7.294 1.00 0.00 C ATOM 0 H VAL A 71 4.548 0.021 4.894 1.00 0.00 H new ATOM 0 HA VAL A 71 2.511 2.061 5.452 1.00 0.00 H new ATOM 0 HB VAL A 71 3.315 1.497 7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.697 1.551 8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.345 0.290 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.131 1.806 6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.393 3.616 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.736 3.988 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.053 3.890 7.182 1.00 0.00 H new ATOM 1092 N LEU A 72 3.673 3.505 3.860 1.00 0.00 N ATOM 1093 CA LEU A 72 4.307 4.367 2.861 1.00 0.00 C ATOM 1094 C LEU A 72 3.808 5.805 2.968 1.00 0.00 C ATOM 1095 O LEU A 72 2.914 6.113 3.764 1.00 0.00 O ATOM 1096 CB LEU A 72 4.053 3.860 1.431 1.00 0.00 C ATOM 1097 CG LEU A 72 4.933 2.700 0.944 1.00 0.00 C ATOM 1098 CD1 LEU A 72 4.450 1.370 1.502 1.00 0.00 C ATOM 1099 CD2 LEU A 72 4.957 2.659 -0.579 1.00 0.00 C ATOM 0 H LEU A 72 2.672 3.661 3.977 1.00 0.00 H new ATOM 0 HA LEU A 72 5.377 4.339 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.011 3.549 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.183 4.697 0.745 1.00 0.00 H new ATOM 0 HG LEU A 72 5.946 2.869 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.093 0.568 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.484 1.398 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.426 1.189 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.585 1.832 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.944 2.519 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.360 3.597 -0.962 1.00 0.00 H new ATOM 1111 N LYS A 73 4.391 6.668 2.142 1.00 0.00 N ATOM 1112 CA LYS A 73 4.009 8.068 2.063 1.00 0.00 C ATOM 1113 C LYS A 73 3.648 8.405 0.625 1.00 0.00 C ATOM 1114 O LYS A 73 4.490 8.356 -0.272 1.00 0.00 O ATOM 1115 CB LYS A 73 5.147 8.993 2.500 1.00 0.00 C ATOM 1116 CG LYS A 73 5.651 8.767 3.914 1.00 0.00 C ATOM 1117 CD LYS A 73 6.777 9.738 4.240 1.00 0.00 C ATOM 1118 CE LYS A 73 7.323 9.538 5.645 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.291 9.775 6.687 1.00 0.00 N ATOM 0 H LYS A 73 5.146 6.411 1.506 1.00 0.00 H new ATOM 0 HA LYS A 73 3.161 8.219 2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.981 8.869 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.810 10.026 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.833 8.898 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.005 7.742 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.583 9.611 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.414 10.760 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.709 8.523 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.162 10.215 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.739 9.778 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.833 10.693 6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.577 9.020 6.647 1.00 0.00 H new ATOM 1133 N ALA A 74 2.398 8.730 0.410 1.00 0.00 N ATOM 1134 CA ALA A 74 1.930 9.111 -0.914 1.00 0.00 C ATOM 1135 C ALA A 74 1.977 10.624 -1.083 1.00 0.00 C ATOM 1136 O ALA A 74 1.119 11.347 -0.577 1.00 0.00 O ATOM 1137 CB ALA A 74 0.521 8.591 -1.151 1.00 0.00 C ATOM 0 H ALA A 74 1.678 8.741 1.133 1.00 0.00 H new ATOM 0 HA ALA A 74 2.592 8.662 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.187 8.885 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.517 7.504 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.152 9.011 -0.404 1.00 0.00 H new ATOM 1143 N GLN A 75 2.991 11.099 -1.787 1.00 0.00 N ATOM 1144 CA GLN A 75 3.149 12.523 -2.040 1.00 0.00 C ATOM 1145 C GLN A 75 3.542 12.739 -3.497 1.00 0.00 C ATOM 1146 O GLN A 75 4.128 13.756 -3.867 1.00 0.00 O ATOM 1147 CB GLN A 75 4.206 13.103 -1.093 1.00 0.00 C ATOM 1148 CG GLN A 75 4.183 14.621 -0.985 1.00 0.00 C ATOM 1149 CD GLN A 75 5.204 15.145 0.007 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.542 14.475 0.983 1.00 0.00 O ATOM 1151 NE2 GLN A 75 5.697 16.351 -0.231 1.00 0.00 N ATOM 0 H GLN A 75 3.721 10.516 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 75 2.207 13.039 -1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.060 12.677 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.193 12.789 -1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.377 15.055 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.187 14.946 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.391 16.874 -1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.383 16.756 0.406 1.00 0.00 H new ATOM 1160 N GLN A 76 3.184 11.765 -4.324 1.00 0.00 N ATOM 1161 CA GLN A 76 3.511 11.773 -5.734 1.00 0.00 C ATOM 1162 C GLN A 76 2.651 12.787 -6.481 1.00 0.00 C ATOM 1163 O GLN A 76 3.162 13.700 -7.133 1.00 0.00 O ATOM 1164 CB GLN A 76 3.267 10.377 -6.287 1.00 0.00 C ATOM 1165 CG GLN A 76 3.997 9.281 -5.524 1.00 0.00 C ATOM 1166 CD GLN A 76 3.281 7.948 -5.610 1.00 0.00 C ATOM 1167 OE1 GLN A 76 2.439 7.635 -4.771 1.00 0.00 O ATOM 1168 NE2 GLN A 76 3.612 7.155 -6.615 1.00 0.00 N ATOM 0 H GLN A 76 2.655 10.944 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 76 4.555 12.057 -5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.197 10.170 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.578 10.350 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.007 9.175 -5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.095 9.572 -4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.316 7.454 -7.290 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.163 6.245 -6.716 1.00 0.00 H new ATOM 1177 N TYR A 77 1.340 12.617 -6.374 1.00 0.00 N ATOM 1178 CA TYR A 77 0.388 13.463 -7.043 1.00 0.00 C ATOM 1179 C TYR A 77 0.122 14.742 -6.261 1.00 0.00 C ATOM 1180 O TYR A 77 0.412 14.829 -5.064 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.902 12.679 -7.235 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.880 11.758 -8.434 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -0.349 10.478 -8.344 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.382 12.175 -9.660 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -0.324 9.638 -9.438 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.362 11.342 -10.759 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.829 10.076 -10.643 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.803 9.243 -11.738 1.00 0.00 O ATOM 0 H TYR A 77 0.914 11.879 -5.813 1.00 0.00 H new ATOM 0 HA TYR A 77 0.797 13.761 -8.009 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.096 12.090 -6.339 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.730 13.380 -7.341 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.051 10.134 -7.402 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.795 13.168 -9.754 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.089 8.644 -9.351 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.761 11.679 -11.704 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.198 9.703 -12.508 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.440 15.723 -6.951 1.00 0.00 N ATOM 1199 CA ARG A 78 -0.732 17.028 -6.370 1.00 0.00 C ATOM 1200 C ARG A 78 -1.897 16.928 -5.387 1.00 0.00 C ATOM 1201 O ARG A 78 -1.914 17.590 -4.352 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.068 18.007 -7.499 1.00 0.00 C ATOM 1203 CG ARG A 78 -1.027 19.474 -7.108 1.00 0.00 C ATOM 1204 CD ARG A 78 -1.328 20.348 -8.313 1.00 0.00 C ATOM 1205 NE ARG A 78 -1.083 21.767 -8.053 1.00 0.00 N ATOM 1206 CZ ARG A 78 -1.352 22.744 -8.921 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -1.856 22.461 -10.117 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -1.094 24.003 -8.592 1.00 0.00 N ATOM 0 H ARG A 78 -0.708 15.638 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 78 0.139 17.386 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.369 17.845 -8.320 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.064 17.775 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.754 19.668 -6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.045 19.723 -6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.714 20.025 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.369 20.210 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.681 22.025 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.040 21.492 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.059 23.213 -10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.692 24.220 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.297 24.754 -9.251 1.00 0.00 H new ATOM 1222 N THR A 79 -2.865 16.086 -5.723 1.00 0.00 N ATOM 1223 CA THR A 79 -4.038 15.885 -4.895 1.00 0.00 C ATOM 1224 C THR A 79 -3.902 14.617 -4.053 1.00 0.00 C ATOM 1225 O THR A 79 -3.097 13.735 -4.363 1.00 0.00 O ATOM 1226 CB THR A 79 -5.292 15.789 -5.774 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.022 14.928 -6.884 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.712 17.160 -6.280 1.00 0.00 C ATOM 0 H THR A 79 -2.856 15.526 -6.576 1.00 0.00 H new ATOM 0 HA THR A 79 -4.130 16.739 -4.223 1.00 0.00 H new ATOM 0 HB THR A 79 -6.108 15.384 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.856 14.739 -7.362 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.603 17.062 -6.900 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.930 17.810 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.905 17.593 -6.871 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.684 14.530 -2.985 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.634 13.379 -2.091 1.00 0.00 C ATOM 1238 C GLN A 80 -5.313 12.165 -2.717 1.00 0.00 C ATOM 1239 O GLN A 80 -4.778 11.058 -2.675 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.296 13.705 -0.749 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.539 14.734 0.077 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.145 14.942 1.454 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.354 14.800 1.641 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.312 15.268 2.430 1.00 0.00 N ATOM 0 H GLN A 80 -5.362 15.243 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.584 13.141 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.306 14.072 -0.933 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.391 12.787 -0.169 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.502 14.415 0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.526 15.684 -0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.317 15.377 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.666 15.411 3.376 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.478 12.378 -3.316 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.272 11.281 -3.852 1.00 0.00 C ATOM 1255 C GLU A 81 -6.558 10.567 -4.998 1.00 0.00 C ATOM 1256 O GLU A 81 -6.661 9.348 -5.136 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.634 11.798 -4.306 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.486 12.303 -3.156 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.840 12.803 -3.604 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -11.685 11.975 -4.002 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.074 14.027 -3.543 1.00 0.00 O ATOM 0 H GLU A 81 -6.894 13.301 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.413 10.550 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.490 12.603 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.166 11.000 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.622 11.500 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.958 13.108 -2.645 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.824 11.322 -5.803 1.00 0.00 N ATOM 1269 CA GLN A 82 -5.056 10.736 -6.896 1.00 0.00 C ATOM 1270 C GLN A 82 -3.862 9.956 -6.354 1.00 0.00 C ATOM 1271 O GLN A 82 -3.467 8.937 -6.923 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.592 11.812 -7.882 1.00 0.00 C ATOM 1273 CG GLN A 82 -5.628 12.182 -8.942 1.00 0.00 C ATOM 1274 CD GLN A 82 -6.933 12.704 -8.364 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -7.095 13.904 -8.142 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -7.875 11.806 -8.134 1.00 0.00 N ATOM 0 H GLN A 82 -5.743 12.336 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.707 10.046 -7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.325 12.709 -7.323 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.687 11.465 -8.381 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.205 12.939 -9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.837 11.305 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.700 10.821 -8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.777 12.098 -7.759 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.306 10.430 -5.245 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.213 9.726 -4.580 1.00 0.00 C ATOM 1287 C ASN A 83 -2.706 8.408 -4.011 1.00 0.00 C ATOM 1288 O ASN A 83 -2.045 7.378 -4.151 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.608 10.579 -3.467 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.311 11.229 -3.884 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.455 10.669 -4.664 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.052 12.418 -3.374 1.00 0.00 N ATOM 0 H ASN A 83 -3.592 11.296 -4.788 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.439 9.529 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.321 11.350 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.434 9.957 -2.589 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.809 12.904 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.713 12.851 -2.729 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.869 8.455 -3.364 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.529 7.253 -2.870 1.00 0.00 C ATOM 1301 C ARG A 84 -4.643 6.215 -3.978 1.00 0.00 C ATOM 1302 O ARG A 84 -4.233 5.064 -3.821 1.00 0.00 O ATOM 1303 CB ARG A 84 -5.936 7.587 -2.382 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.716 6.375 -1.904 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.158 6.734 -1.605 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.017 5.550 -1.592 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.961 5.316 -2.499 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.172 6.185 -3.481 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.684 4.206 -2.429 1.00 0.00 N ATOM 0 H ARG A 84 -4.375 9.319 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.931 6.856 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.868 8.309 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.487 8.068 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.683 5.595 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.247 5.967 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.216 7.236 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.521 7.439 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.885 4.867 -0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.609 7.034 -3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.897 6.004 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.515 3.534 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.409 4.025 -3.124 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.208 6.650 -5.097 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.437 5.782 -6.249 1.00 0.00 C ATOM 1325 C ALA A 85 -4.155 5.095 -6.710 1.00 0.00 C ATOM 1326 O ALA A 85 -4.140 3.881 -6.930 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.047 6.577 -7.393 1.00 0.00 C ATOM 0 H ALA A 85 -5.520 7.611 -5.233 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.133 5.003 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.213 5.919 -8.246 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.998 7.003 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.368 7.380 -7.681 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.081 5.866 -6.854 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.805 5.315 -7.310 1.00 0.00 C ATOM 1335 C ASP A 86 -1.245 4.354 -6.275 1.00 0.00 C ATOM 1336 O ASP A 86 -0.776 3.266 -6.607 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.791 6.426 -7.570 1.00 0.00 C ATOM 1338 CG ASP A 86 0.436 5.919 -8.314 1.00 0.00 C ATOM 1339 OD1 ASP A 86 0.377 5.798 -9.557 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.466 5.638 -7.670 1.00 0.00 O ATOM 0 H ASP A 86 -3.066 6.868 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.987 4.780 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.264 7.219 -8.149 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.483 6.865 -6.621 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.308 4.764 -5.016 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.838 3.938 -3.904 1.00 0.00 C ATOM 1347 C ALA A 87 -1.553 2.587 -3.872 1.00 0.00 C ATOM 1348 O ALA A 87 -0.929 1.552 -3.628 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.035 4.670 -2.585 1.00 0.00 C ATOM 0 H ALA A 87 -1.682 5.670 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 87 0.225 3.750 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.681 4.045 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.471 5.603 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.094 4.888 -2.444 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.859 2.603 -4.130 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.649 1.377 -4.181 1.00 0.00 C ATOM 1357 C LEU A 88 -3.188 0.493 -5.336 1.00 0.00 C ATOM 1358 O LEU A 88 -3.184 -0.738 -5.234 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.139 1.703 -4.338 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.754 2.514 -3.196 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.225 2.782 -3.468 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.584 1.791 -1.873 1.00 0.00 C ATOM 0 H LEU A 88 -3.393 3.454 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.503 0.839 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.278 2.254 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.690 0.768 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.232 3.469 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.648 3.360 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.327 3.344 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.757 1.835 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.028 2.385 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.079 0.821 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.523 1.647 -1.671 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.793 1.133 -6.428 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.300 0.427 -7.600 1.00 0.00 C ATOM 1376 C LEU A 89 -0.939 -0.199 -7.283 1.00 0.00 C ATOM 1377 O LEU A 89 -0.658 -1.325 -7.677 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.195 1.397 -8.789 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.430 0.789 -10.178 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -1.342 -0.207 -10.541 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -3.799 0.129 -10.245 1.00 0.00 C ATOM 0 H LEU A 89 -2.805 2.148 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.995 -0.368 -7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.915 2.202 -8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.204 1.850 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.394 1.600 -10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.540 -0.618 -11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.375 0.296 -10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.329 -1.015 -9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.949 -0.297 -11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.859 -0.662 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.571 0.873 -10.049 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.110 0.535 -6.544 1.00 0.00 N ATOM 1394 CA ARG A 90 1.204 0.037 -6.138 1.00 0.00 C ATOM 1395 C ARG A 90 1.055 -1.137 -5.181 1.00 0.00 C ATOM 1396 O ARG A 90 1.866 -2.063 -5.185 1.00 0.00 O ATOM 1397 CB ARG A 90 2.026 1.141 -5.463 1.00 0.00 C ATOM 1398 CG ARG A 90 2.112 2.423 -6.266 1.00 0.00 C ATOM 1399 CD ARG A 90 2.742 2.198 -7.626 1.00 0.00 C ATOM 1400 NE ARG A 90 2.578 3.362 -8.486 1.00 0.00 N ATOM 1401 CZ ARG A 90 3.179 3.518 -9.658 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.076 2.629 -10.069 1.00 0.00 N ATOM 1403 NH2 ARG A 90 2.888 4.577 -10.405 1.00 0.00 N ATOM 0 H ARG A 90 -0.324 1.476 -6.214 1.00 0.00 H new ATOM 0 HA ARG A 90 1.726 -0.291 -7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.588 1.363 -4.490 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.035 0.770 -5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.113 2.839 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.696 3.159 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.803 1.979 -7.506 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.289 1.327 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 90 1.960 4.107 -8.165 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.303 1.825 -9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.538 2.750 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.207 5.262 -10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.345 4.705 -11.308 1.00 0.00 H new ATOM 1417 N LEU A 91 0.014 -1.084 -4.359 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.269 -2.133 -3.388 1.00 0.00 C ATOM 1419 C LEU A 91 -0.596 -3.439 -4.097 1.00 0.00 C ATOM 1420 O LEU A 91 -0.018 -4.486 -3.805 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.443 -1.713 -2.506 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.730 -2.631 -1.319 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.547 -2.662 -0.361 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.988 -2.176 -0.599 1.00 0.00 C ATOM 0 H LEU A 91 -0.656 -0.315 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 91 0.614 -2.286 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.251 -0.708 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.339 -1.656 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.887 -3.642 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.774 -3.322 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.335 -3.030 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.354 -1.656 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.183 -2.837 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.852 -1.157 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.833 -2.207 -1.287 1.00 0.00 H new ATOM 1436 N SER A 92 -1.516 -3.357 -5.038 1.00 0.00 N ATOM 1437 CA SER A 92 -1.922 -4.517 -5.816 1.00 0.00 C ATOM 1438 C SER A 92 -0.782 -5.005 -6.703 1.00 0.00 C ATOM 1439 O SER A 92 -0.555 -6.211 -6.836 1.00 0.00 O ATOM 1440 CB SER A 92 -3.159 -4.170 -6.642 1.00 0.00 C ATOM 1441 OG SER A 92 -3.064 -2.860 -7.178 1.00 0.00 O ATOM 0 H SER A 92 -2.001 -2.494 -5.285 1.00 0.00 H new ATOM 0 HA SER A 92 -2.173 -5.332 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.273 -4.890 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.050 -4.248 -6.019 1.00 0.00 H new ATOM 0 HG SER A 92 -2.120 -2.621 -7.292 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.063 -4.057 -7.294 1.00 0.00 N ATOM 1448 CA GLU A 93 1.114 -4.363 -8.103 1.00 0.00 C ATOM 1449 C GLU A 93 2.107 -5.183 -7.289 1.00 0.00 C ATOM 1450 O GLU A 93 2.582 -6.215 -7.747 1.00 0.00 O ATOM 1451 CB GLU A 93 1.769 -3.061 -8.578 1.00 0.00 C ATOM 1452 CG GLU A 93 2.626 -3.183 -9.829 1.00 0.00 C ATOM 1453 CD GLU A 93 3.949 -3.893 -9.608 1.00 0.00 C ATOM 1454 OE1 GLU A 93 4.791 -3.371 -8.845 1.00 0.00 O ATOM 1455 OE2 GLU A 93 4.157 -4.960 -10.221 1.00 0.00 O ATOM 0 H GLU A 93 -0.276 -3.062 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 93 0.809 -4.945 -8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.986 -2.326 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.388 -2.669 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.062 -3.719 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.823 -2.185 -10.220 1.00 0.00 H new ATOM 1462 N LEU A 94 2.384 -4.725 -6.071 1.00 0.00 N ATOM 1463 CA LEU A 94 3.325 -5.396 -5.175 1.00 0.00 C ATOM 1464 C LEU A 94 2.934 -6.853 -4.937 1.00 0.00 C ATOM 1465 O LEU A 94 3.777 -7.747 -4.984 1.00 0.00 O ATOM 1466 CB LEU A 94 3.399 -4.653 -3.837 1.00 0.00 C ATOM 1467 CG LEU A 94 4.325 -5.281 -2.793 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.773 -5.243 -3.259 1.00 0.00 C ATOM 1469 CD2 LEU A 94 4.167 -4.571 -1.458 1.00 0.00 C ATOM 0 H LEU A 94 1.965 -3.882 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 94 4.304 -5.384 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.730 -3.631 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.395 -4.591 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 94 4.044 -6.326 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.411 -5.695 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.870 -5.798 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.077 -4.208 -3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.831 -5.026 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.422 -3.518 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.135 -4.659 -1.119 1.00 0.00 H new ATOM 1481 N ILE A 95 1.650 -7.086 -4.691 1.00 0.00 N ATOM 1482 CA ILE A 95 1.158 -8.432 -4.423 1.00 0.00 C ATOM 1483 C ILE A 95 1.369 -9.338 -5.636 1.00 0.00 C ATOM 1484 O ILE A 95 1.868 -10.459 -5.510 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.339 -8.419 -4.036 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.547 -7.567 -2.779 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.849 -9.835 -3.809 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.999 -7.418 -2.374 1.00 0.00 C ATOM 0 H ILE A 95 0.932 -6.362 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 95 1.728 -8.824 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.907 -7.982 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.007 -8.014 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.123 -6.577 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.904 -9.803 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.727 -10.417 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.282 -10.301 -3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.065 -6.802 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.555 -6.943 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.423 -8.401 -2.171 1.00 0.00 H new ATOM 1500 N VAL A 96 1.007 -8.842 -6.813 1.00 0.00 N ATOM 1501 CA VAL A 96 1.210 -9.584 -8.052 1.00 0.00 C ATOM 1502 C VAL A 96 2.704 -9.730 -8.340 1.00 0.00 C ATOM 1503 O VAL A 96 3.164 -10.772 -8.813 1.00 0.00 O ATOM 1504 CB VAL A 96 0.521 -8.883 -9.247 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.721 -9.668 -10.537 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.962 -8.687 -8.969 1.00 0.00 C ATOM 0 H VAL A 96 0.571 -7.928 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 96 0.763 -10.570 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 96 0.985 -7.905 -9.373 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.226 -9.150 -11.358 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.787 -9.751 -10.751 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.294 -10.665 -10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.430 -8.193 -9.820 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.433 -9.657 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.087 -8.071 -8.078 1.00 0.00 H new ATOM 1516 N ASN A 97 3.453 -8.681 -8.028 1.00 0.00 N ATOM 1517 CA ASN A 97 4.893 -8.644 -8.254 1.00 0.00 C ATOM 1518 C ASN A 97 5.590 -9.738 -7.454 1.00 0.00 C ATOM 1519 O ASN A 97 6.439 -10.460 -7.975 1.00 0.00 O ATOM 1520 CB ASN A 97 5.442 -7.274 -7.842 1.00 0.00 C ATOM 1521 CG ASN A 97 6.689 -6.886 -8.605 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.803 -7.241 -8.227 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.507 -6.114 -9.667 1.00 0.00 N ATOM 0 H ASN A 97 3.079 -7.829 -7.610 1.00 0.00 H new ATOM 0 HA ASN A 97 5.085 -8.812 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.674 -6.517 -8.002 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.663 -7.283 -6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.310 -5.791 -10.206 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.564 -5.843 -9.945 1.00 0.00 H new ATOM 1530 N ALA A 98 5.200 -9.867 -6.189 1.00 0.00 N ATOM 1531 CA ALA A 98 5.787 -10.856 -5.291 1.00 0.00 C ATOM 1532 C ALA A 98 5.449 -12.279 -5.722 1.00 0.00 C ATOM 1533 O ALA A 98 6.161 -13.225 -5.387 1.00 0.00 O ATOM 1534 CB ALA A 98 5.310 -10.613 -3.869 1.00 0.00 C ATOM 0 H ALA A 98 4.474 -9.293 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 98 6.871 -10.746 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.753 -11.355 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.611 -9.615 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.224 -10.694 -3.831 1.00 0.00 H new ATOM 1540 N ALA A 99 4.355 -12.430 -6.450 1.00 0.00 N ATOM 1541 CA ALA A 99 3.938 -13.738 -6.932 1.00 0.00 C ATOM 1542 C ALA A 99 4.598 -14.063 -8.266 1.00 0.00 C ATOM 1543 O ALA A 99 4.763 -15.230 -8.621 1.00 0.00 O ATOM 1544 CB ALA A 99 2.423 -13.794 -7.060 1.00 0.00 C ATOM 0 H ALA A 99 3.739 -11.663 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 99 4.256 -14.487 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.125 -14.778 -7.422 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.969 -13.612 -6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.089 -13.032 -7.764 1.00 0.00 H new ATOM 1550 N LYS A 100 4.981 -13.027 -8.997 1.00 0.00 N ATOM 1551 CA LYS A 100 5.535 -13.198 -10.334 1.00 0.00 C ATOM 1552 C LYS A 100 7.059 -13.238 -10.305 1.00 0.00 C ATOM 1553 O LYS A 100 7.695 -13.852 -11.163 1.00 0.00 O ATOM 1554 CB LYS A 100 5.051 -12.055 -11.233 1.00 0.00 C ATOM 1555 CG LYS A 100 5.435 -12.200 -12.695 1.00 0.00 C ATOM 1556 CD LYS A 100 4.899 -11.035 -13.514 1.00 0.00 C ATOM 1557 CE LYS A 100 5.191 -11.195 -14.998 1.00 0.00 C ATOM 1558 NZ LYS A 100 6.651 -11.232 -15.287 1.00 0.00 N ATOM 0 H LYS A 100 4.919 -12.057 -8.687 1.00 0.00 H new ATOM 0 HA LYS A 100 5.189 -14.152 -10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.966 -11.987 -11.160 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.455 -11.116 -10.855 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.520 -12.246 -12.788 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.041 -13.138 -13.088 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.823 -10.952 -13.364 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.343 -10.106 -13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.728 -12.113 -15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.735 -10.371 -15.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.802 -11.222 -16.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.110 -10.401 -14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.063 -12.098 -14.885 1.00 0.00 H new ATOM 1572 N LEU A 101 7.636 -12.603 -9.304 1.00 0.00 N ATOM 1573 CA LEU A 101 9.078 -12.509 -9.184 1.00 0.00 C ATOM 1574 C LEU A 101 9.582 -13.201 -7.924 1.00 0.00 C ATOM 1575 O LEU A 101 8.802 -13.569 -7.043 1.00 0.00 O ATOM 1576 CB LEU A 101 9.497 -11.042 -9.171 1.00 0.00 C ATOM 1577 CG LEU A 101 9.390 -10.323 -10.516 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.787 -8.863 -10.374 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.261 -11.011 -11.556 1.00 0.00 C ATOM 0 H LEU A 101 7.122 -12.140 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 101 9.522 -13.013 -10.042 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.883 -10.512 -8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.528 -10.978 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 101 8.353 -10.367 -10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.705 -8.368 -11.341 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.126 -8.374 -9.659 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.816 -8.798 -10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.174 -10.487 -12.508 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.300 -10.996 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.934 -12.044 -11.679 1.00 0.00 H new