USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 869 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 98 GLN : amide:sc= 0.0296 X(o=0.06,f=0) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0.0306 USER MOD Set 2.1: A 85 MET CE :methyl 169:sc= -0.538 (180deg=-1.17) USER MOD Set 2.2: A 103 THR OG1 : rot -46:sc= 0.42 USER MOD Set 3.1: A 66 THR OG1 : rot -130:sc= -0.104 USER MOD Set 3.2: A 68 MET CE :methyl -178:sc= -0.557 (180deg=-0.54) USER MOD Set 4.1: A 43 MET CE :methyl -152:sc= 0 (180deg=-0.0098) USER MOD Set 4.2: A 110 TYR OH : rot 150:sc= 0 USER MOD Set 5.1: A 18 ASN : amide:sc= 0.0146 X(o=0.026,f=-0.1) USER MOD Set 5.2: A 106 GLN : amide:sc= 0.0116 X(o=0.026,f=0) USER MOD Set 6.1: A 3 THR OG1 : rot -55:sc= 1.06 USER MOD Set 6.2: A 6 GLN : amide:sc= -1.7 K(o=-0.64,f=0.35) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00277) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0.534 K(o=0.53,f=-2.2!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=-0.031) USER MOD Single : A 10 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.51) USER MOD Single : A 16 SER OG : rot -96:sc= 1.12 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 130:sc= -0.0283 USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= 1.11 (180deg=0.133) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -174:sc= -0.273 (180deg=-0.449) USER MOD Single : A 38 MET CE :methyl -143:sc= -0.289 (180deg=-0.531) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 32:sc= 0.0757 USER MOD Single : A 45 ASN : amide:sc= 1.07 K(o=1.1,f=-2.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.78! K(o=-2.8!,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0777) USER MOD Single : A 65 MET CE :methyl -174:sc= -2.15 (180deg=-2.34) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.1 (180deg=-1.4) USER MOD Single : A 72 ASN : amide:sc=-0.00524 X(o=-0.0052,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.094 X(o=0.094,f=-0.38) USER MOD Single : A 76 ASN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.58) USER MOD Single : A 81 THR OG1 : rot 58:sc= 1.12 USER MOD Single : A 83 SER OG : rot -43:sc= 1.18 USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.0519 (180deg=-0.417) USER MOD Single : A 91 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.62) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 50:sc= 0.648 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -165:sc= 0.583 (180deg=0.424) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.113 1.643 -7.649 1.00 0.00 N ATOM 2 CA MET A 1 16.284 0.640 -7.005 1.00 0.00 C ATOM 3 C MET A 1 16.026 1.035 -5.548 1.00 0.00 C ATOM 4 O MET A 1 16.958 1.293 -4.782 1.00 0.00 O ATOM 5 CB MET A 1 16.963 -0.735 -7.112 1.00 0.00 C ATOM 6 CG MET A 1 16.390 -1.780 -6.149 1.00 0.00 C ATOM 7 SD MET A 1 16.985 -3.476 -6.385 1.00 0.00 S ATOM 8 CE MET A 1 15.791 -4.034 -7.629 1.00 0.00 C ATOM 0 H1 MET A 1 17.284 1.369 -8.638 1.00 0.00 H new ATOM 0 H2 MET A 1 16.628 2.563 -7.624 1.00 0.00 H new ATOM 0 H3 MET A 1 18.021 1.717 -7.148 1.00 0.00 H new ATOM 0 HA MET A 1 15.318 0.578 -7.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.863 -1.101 -8.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.029 -0.620 -6.917 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.620 -1.472 -5.129 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.304 -1.779 -6.245 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.014 -5.063 -7.912 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.784 -3.982 -7.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.856 -3.393 -8.509 1.00 0.00 H new ATOM 18 N VAL A 2 14.747 0.988 -5.180 1.00 0.00 N ATOM 19 CA VAL A 2 14.206 1.171 -3.843 1.00 0.00 C ATOM 20 C VAL A 2 14.930 0.296 -2.809 1.00 0.00 C ATOM 21 O VAL A 2 15.370 -0.810 -3.133 1.00 0.00 O ATOM 22 CB VAL A 2 12.695 0.869 -3.926 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.383 -0.535 -4.476 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.995 1.031 -2.575 1.00 0.00 C ATOM 0 H VAL A 2 14.011 0.807 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 2 14.362 2.193 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 2 12.309 1.608 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.303 -0.682 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.792 -0.631 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.832 -1.288 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.934 0.808 -2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.437 0.345 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.115 2.056 -2.224 1.00 0.00 H new ATOM 34 N THR A 3 14.978 0.731 -1.545 1.00 0.00 N ATOM 35 CA THR A 3 15.587 -0.028 -0.457 1.00 0.00 C ATOM 36 C THR A 3 14.684 -0.013 0.782 1.00 0.00 C ATOM 37 O THR A 3 13.781 0.817 0.863 1.00 0.00 O ATOM 38 CB THR A 3 16.987 0.540 -0.161 1.00 0.00 C ATOM 39 OG1 THR A 3 16.982 1.947 -0.033 1.00 0.00 O ATOM 40 CG2 THR A 3 17.983 0.190 -1.257 1.00 0.00 C ATOM 0 H THR A 3 14.591 1.628 -1.250 1.00 0.00 H new ATOM 0 HA THR A 3 15.699 -1.071 -0.753 1.00 0.00 H new ATOM 0 HB THR A 3 17.284 0.084 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 3 16.587 2.347 -0.836 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.958 0.609 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.065 -0.894 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.640 0.603 -2.206 1.00 0.00 H new ATOM 48 N PRO A 4 14.912 -0.889 1.774 1.00 0.00 N ATOM 49 CA PRO A 4 14.156 -0.887 3.031 1.00 0.00 C ATOM 50 C PRO A 4 14.243 0.438 3.792 1.00 0.00 C ATOM 51 O PRO A 4 13.303 0.872 4.465 1.00 0.00 O ATOM 52 CB PRO A 4 14.760 -2.029 3.851 1.00 0.00 C ATOM 53 CG PRO A 4 16.055 -2.426 3.149 1.00 0.00 C ATOM 54 CD PRO A 4 15.802 -2.038 1.705 1.00 0.00 C ATOM 0 HA PRO A 4 13.091 -1.017 2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.955 -1.711 4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.073 -2.874 3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.915 -1.899 3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.257 -3.492 3.250 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.732 -1.787 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.346 -2.858 1.150 1.00 0.00 H new ATOM 62 N GLU A 5 15.415 1.056 3.727 1.00 0.00 N ATOM 63 CA GLU A 5 15.743 2.273 4.464 1.00 0.00 C ATOM 64 C GLU A 5 14.823 3.442 4.073 1.00 0.00 C ATOM 65 O GLU A 5 14.291 4.143 4.937 1.00 0.00 O ATOM 66 CB GLU A 5 17.225 2.625 4.231 1.00 0.00 C ATOM 67 CG GLU A 5 17.871 3.239 5.487 1.00 0.00 C ATOM 68 CD GLU A 5 18.509 4.597 5.212 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.631 4.634 4.664 1.00 0.00 O ATOM 70 OE2 GLU A 5 17.921 5.644 5.572 1.00 0.00 O ATOM 0 H GLU A 5 16.183 0.718 3.147 1.00 0.00 H new ATOM 0 HA GLU A 5 15.581 2.092 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.771 1.727 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.306 3.327 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.115 3.347 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 5 18.629 2.557 5.872 1.00 0.00 H new ATOM 77 N GLN A 6 14.580 3.621 2.773 1.00 0.00 N ATOM 78 CA GLN A 6 13.690 4.638 2.211 1.00 0.00 C ATOM 79 C GLN A 6 12.200 4.288 2.396 1.00 0.00 C ATOM 80 O GLN A 6 11.364 4.847 1.688 1.00 0.00 O ATOM 81 CB GLN A 6 14.075 4.911 0.737 1.00 0.00 C ATOM 82 CG GLN A 6 14.066 3.692 -0.174 1.00 0.00 C ATOM 83 CD GLN A 6 14.645 3.985 -1.550 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.740 3.533 -1.854 1.00 0.00 O ATOM 85 NE2 GLN A 6 13.929 4.665 -2.430 1.00 0.00 N ATOM 0 H GLN A 6 15.014 3.040 2.056 1.00 0.00 H new ATOM 0 HA GLN A 6 13.826 5.565 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.388 5.653 0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.071 5.353 0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.637 2.890 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.043 3.333 -0.284 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.017 5.038 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.289 4.817 -3.372 1.00 0.00 H new ATOM 94 N LEU A 7 11.835 3.384 3.322 1.00 0.00 N ATOM 95 CA LEU A 7 10.462 2.891 3.492 1.00 0.00 C ATOM 96 C LEU A 7 10.035 2.804 4.953 1.00 0.00 C ATOM 97 O LEU A 7 8.993 3.360 5.286 1.00 0.00 O ATOM 98 CB LEU A 7 10.332 1.505 2.870 1.00 0.00 C ATOM 99 CG LEU A 7 10.572 1.497 1.346 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.675 0.060 0.858 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.488 2.243 0.552 1.00 0.00 C ATOM 0 H LEU A 7 12.496 2.972 3.981 1.00 0.00 H new ATOM 0 HA LEU A 7 9.811 3.611 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.044 0.832 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.336 1.113 3.076 1.00 0.00 H new ATOM 0 HG LEU A 7 11.505 2.031 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.845 0.053 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.506 -0.436 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.748 -0.468 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.720 2.197 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.519 1.777 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.455 3.285 0.872 1.00 0.00 H new ATOM 113 N GLN A 8 10.826 2.155 5.825 1.00 0.00 N ATOM 114 CA GLN A 8 10.511 1.919 7.244 1.00 0.00 C ATOM 115 C GLN A 8 9.930 3.113 8.002 1.00 0.00 C ATOM 116 O GLN A 8 9.175 2.917 8.953 1.00 0.00 O ATOM 117 CB GLN A 8 11.811 1.502 7.964 1.00 0.00 C ATOM 118 CG GLN A 8 11.912 -0.018 8.104 1.00 0.00 C ATOM 119 CD GLN A 8 13.322 -0.574 8.049 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.715 -1.415 8.855 1.00 0.00 O ATOM 121 NE2 GLN A 8 14.051 -0.292 6.984 1.00 0.00 N ATOM 0 H GLN A 8 11.730 1.769 5.553 1.00 0.00 H new ATOM 0 HA GLN A 8 9.737 1.151 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.671 1.875 7.409 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.845 1.962 8.951 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.458 -0.312 9.051 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.324 -0.481 7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.727 0.405 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.938 -0.772 6.832 1.00 0.00 H new ATOM 130 N HIS A 9 10.279 4.326 7.588 1.00 0.00 N ATOM 131 CA HIS A 9 9.915 5.551 8.293 1.00 0.00 C ATOM 132 C HIS A 9 9.326 6.601 7.344 1.00 0.00 C ATOM 133 O HIS A 9 9.519 7.806 7.554 1.00 0.00 O ATOM 134 CB HIS A 9 11.124 6.049 9.093 1.00 0.00 C ATOM 135 CG HIS A 9 11.621 5.057 10.116 1.00 0.00 C ATOM 136 ND1 HIS A 9 10.873 4.468 11.116 1.00 0.00 N ATOM 137 CD2 HIS A 9 12.895 4.569 10.208 1.00 0.00 C ATOM 138 CE1 HIS A 9 11.686 3.648 11.802 1.00 0.00 C ATOM 139 NE2 HIS A 9 12.933 3.697 11.301 1.00 0.00 N ATOM 0 H HIS A 9 10.829 4.489 6.744 1.00 0.00 H new ATOM 0 HA HIS A 9 9.115 5.342 9.003 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.934 6.283 8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.857 6.977 9.599 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.721 4.812 9.556 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.381 3.036 12.638 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.749 3.195 11.651 1.00 0.00 H new ATOM 147 N HIS A 10 8.626 6.145 6.299 1.00 0.00 N ATOM 148 CA HIS A 10 7.933 6.979 5.333 1.00 0.00 C ATOM 149 C HIS A 10 6.496 6.495 5.176 1.00 0.00 C ATOM 150 O HIS A 10 6.244 5.398 4.674 1.00 0.00 O ATOM 151 CB HIS A 10 8.673 6.996 3.996 1.00 0.00 C ATOM 152 CG HIS A 10 10.035 7.629 4.097 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.319 8.966 4.271 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.217 6.951 4.139 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.649 9.090 4.386 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.244 7.889 4.270 1.00 0.00 N ATOM 0 H HIS A 10 8.528 5.149 6.103 1.00 0.00 H new ATOM 0 HA HIS A 10 7.911 8.006 5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.777 5.975 3.629 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.077 7.539 3.262 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.338 5.879 4.081 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.169 10.022 4.549 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.246 7.701 4.276 1.00 0.00 H new ATOM 164 N ARG A 11 5.553 7.333 5.602 1.00 0.00 N ATOM 165 CA ARG A 11 4.140 7.178 5.282 1.00 0.00 C ATOM 166 C ARG A 11 3.941 7.467 3.800 1.00 0.00 C ATOM 167 O ARG A 11 4.599 8.335 3.222 1.00 0.00 O ATOM 168 CB ARG A 11 3.342 8.162 6.143 1.00 0.00 C ATOM 169 CG ARG A 11 1.870 8.420 5.779 1.00 0.00 C ATOM 170 CD ARG A 11 1.385 9.567 6.674 1.00 0.00 C ATOM 171 NE ARG A 11 0.020 9.995 6.345 1.00 0.00 N ATOM 172 CZ ARG A 11 -1.015 10.030 7.191 1.00 0.00 C ATOM 173 NH1 ARG A 11 -0.880 9.670 8.464 1.00 0.00 N ATOM 174 NH2 ARG A 11 -2.194 10.446 6.752 1.00 0.00 N ATOM 0 H ARG A 11 5.753 8.146 6.185 1.00 0.00 H new ATOM 0 HA ARG A 11 3.796 6.164 5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.372 7.804 7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.862 9.120 6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.773 8.684 4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.270 7.524 5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.422 9.251 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.063 10.415 6.573 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.155 10.292 5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.027 9.359 8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.683 9.705 9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.303 10.734 5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.992 10.478 7.386 1.00 0.00 H new ATOM 188 N PHE A 12 2.941 6.813 3.228 1.00 0.00 N ATOM 189 CA PHE A 12 2.433 7.045 1.894 1.00 0.00 C ATOM 190 C PHE A 12 0.932 6.974 1.932 1.00 0.00 C ATOM 191 O PHE A 12 0.297 6.373 2.788 1.00 0.00 O ATOM 192 CB PHE A 12 2.999 5.969 0.949 1.00 0.00 C ATOM 193 CG PHE A 12 4.502 5.978 0.779 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.072 6.832 -0.175 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.333 5.179 1.587 1.00 0.00 C ATOM 196 CE1 PHE A 12 6.464 6.946 -0.280 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.730 5.252 1.442 1.00 0.00 C ATOM 198 CZ PHE A 12 7.293 6.147 0.514 1.00 0.00 C ATOM 0 H PHE A 12 2.439 6.068 3.712 1.00 0.00 H new ATOM 0 HA PHE A 12 2.736 8.027 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.699 4.989 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.539 6.093 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.435 7.405 -0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.899 4.511 2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.897 7.651 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.370 4.622 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.366 6.217 0.415 1.00 0.00 H new ATOM 208 N VAL A 13 0.364 7.601 0.931 1.00 0.00 N ATOM 209 CA VAL A 13 -1.051 7.772 0.734 1.00 0.00 C ATOM 210 C VAL A 13 -1.347 7.260 -0.672 1.00 0.00 C ATOM 211 O VAL A 13 -0.608 7.587 -1.607 1.00 0.00 O ATOM 212 CB VAL A 13 -1.386 9.255 0.925 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.866 9.557 2.346 1.00 0.00 C ATOM 214 CG2 VAL A 13 -0.253 10.198 0.573 1.00 0.00 C ATOM 0 H VAL A 13 0.914 8.031 0.187 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.665 7.219 1.445 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.194 9.439 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.092 10.620 2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.764 8.976 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.085 9.291 3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.572 11.227 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.610 9.982 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.020 10.064 -0.474 1.00 0.00 H new ATOM 224 N LEU A 14 -2.369 6.412 -0.809 1.00 0.00 N ATOM 225 CA LEU A 14 -2.834 5.899 -2.089 1.00 0.00 C ATOM 226 C LEU A 14 -3.388 7.068 -2.878 1.00 0.00 C ATOM 227 O LEU A 14 -4.476 7.565 -2.579 1.00 0.00 O ATOM 228 CB LEU A 14 -3.916 4.829 -1.906 1.00 0.00 C ATOM 229 CG LEU A 14 -4.474 4.320 -3.250 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.414 3.863 -4.264 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.397 3.146 -2.954 1.00 0.00 C ATOM 0 H LEU A 14 -2.903 6.059 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.004 5.429 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.502 3.990 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.731 5.239 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.983 5.164 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.905 3.523 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.751 4.696 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.833 3.045 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.809 2.763 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.834 2.357 -2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.210 3.476 -2.307 1.00 0.00 H new ATOM 243 N GLU A 15 -2.615 7.551 -3.835 1.00 0.00 N ATOM 244 CA GLU A 15 -2.955 8.761 -4.543 1.00 0.00 C ATOM 245 C GLU A 15 -3.875 8.377 -5.702 1.00 0.00 C ATOM 246 O GLU A 15 -4.989 8.896 -5.805 1.00 0.00 O ATOM 247 CB GLU A 15 -1.639 9.454 -4.924 1.00 0.00 C ATOM 248 CG GLU A 15 -1.817 10.920 -5.334 1.00 0.00 C ATOM 249 CD GLU A 15 -1.961 11.069 -6.846 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.042 10.751 -7.394 1.00 0.00 O ATOM 251 OE2 GLU A 15 -0.973 11.493 -7.484 1.00 0.00 O ATOM 0 H GLU A 15 -1.743 7.116 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.515 9.489 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.952 9.402 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.175 8.909 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.699 11.331 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.961 11.501 -4.991 1.00 0.00 H new ATOM 258 N SER A 16 -3.461 7.421 -6.537 1.00 0.00 N ATOM 259 CA SER A 16 -4.180 7.054 -7.748 1.00 0.00 C ATOM 260 C SER A 16 -4.201 5.532 -7.911 1.00 0.00 C ATOM 261 O SER A 16 -3.160 4.867 -7.910 1.00 0.00 O ATOM 262 CB SER A 16 -3.595 7.781 -8.974 1.00 0.00 C ATOM 263 OG SER A 16 -2.458 8.588 -8.711 1.00 0.00 O ATOM 0 H SER A 16 -2.610 6.879 -6.386 1.00 0.00 H new ATOM 0 HA SER A 16 -5.217 7.380 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.327 7.037 -9.724 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.373 8.408 -9.410 1.00 0.00 H new ATOM 0 HG SER A 16 -2.740 9.517 -8.577 1.00 0.00 H new ATOM 269 N VAL A 17 -5.404 4.970 -8.024 1.00 0.00 N ATOM 270 CA VAL A 17 -5.631 3.566 -8.334 1.00 0.00 C ATOM 271 C VAL A 17 -5.364 3.372 -9.834 1.00 0.00 C ATOM 272 O VAL A 17 -5.265 4.341 -10.597 1.00 0.00 O ATOM 273 CB VAL A 17 -7.082 3.183 -7.943 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.370 1.677 -7.944 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.454 3.685 -6.539 1.00 0.00 C ATOM 0 H VAL A 17 -6.269 5.496 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.963 2.914 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.677 3.663 -8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.408 1.505 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.196 1.274 -8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.711 1.180 -7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.479 3.394 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.778 3.247 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.370 4.771 -6.507 1.00 0.00 H new ATOM 285 N ASN A 18 -5.327 2.118 -10.287 1.00 0.00 N ATOM 286 CA ASN A 18 -5.328 1.780 -11.706 1.00 0.00 C ATOM 287 C ASN A 18 -6.555 2.328 -12.450 1.00 0.00 C ATOM 288 O ASN A 18 -6.493 2.415 -13.676 1.00 0.00 O ATOM 289 CB ASN A 18 -5.221 0.255 -11.908 1.00 0.00 C ATOM 290 CG ASN A 18 -6.553 -0.448 -12.115 1.00 0.00 C ATOM 291 OD1 ASN A 18 -7.301 -0.654 -11.164 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.839 -0.871 -13.330 1.00 0.00 N ATOM 0 H ASN A 18 -5.295 1.304 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.450 2.262 -12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.583 0.059 -12.770 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.726 -0.180 -11.040 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.703 -1.386 -13.501 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.196 -0.684 -14.100 1.00 0.00 H new ATOM 299 N GLY A 19 -7.641 2.649 -11.731 1.00 0.00 N ATOM 300 CA GLY A 19 -8.918 3.079 -12.277 1.00 0.00 C ATOM 301 C GLY A 19 -9.155 4.569 -12.062 1.00 0.00 C ATOM 302 O GLY A 19 -9.268 5.301 -13.044 1.00 0.00 O ATOM 0 H GLY A 19 -7.644 2.611 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.950 2.856 -13.344 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.723 2.512 -11.809 1.00 0.00 H new ATOM 306 N LYS A 20 -9.276 5.029 -10.811 1.00 0.00 N ATOM 307 CA LYS A 20 -9.571 6.424 -10.458 1.00 0.00 C ATOM 308 C LYS A 20 -8.673 6.889 -9.305 1.00 0.00 C ATOM 309 O LYS A 20 -8.131 6.053 -8.585 1.00 0.00 O ATOM 310 CB LYS A 20 -11.053 6.511 -10.037 1.00 0.00 C ATOM 311 CG LYS A 20 -12.023 6.687 -11.208 1.00 0.00 C ATOM 312 CD LYS A 20 -12.145 8.148 -11.667 1.00 0.00 C ATOM 313 CE LYS A 20 -13.182 8.361 -12.779 1.00 0.00 C ATOM 314 NZ LYS A 20 -12.896 7.584 -14.005 1.00 0.00 N ATOM 0 H LYS A 20 -9.169 4.426 -9.995 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.381 7.069 -11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.319 5.606 -9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.176 7.346 -9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.689 6.075 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.007 6.319 -10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.411 8.768 -10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.172 8.491 -12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.168 8.085 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.222 9.421 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.632 7.772 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.969 7.863 -14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.885 6.569 -13.778 1.00 0.00 H new ATOM 328 N PRO A 21 -8.561 8.202 -9.044 1.00 0.00 N ATOM 329 CA PRO A 21 -8.104 8.678 -7.744 1.00 0.00 C ATOM 330 C PRO A 21 -9.158 8.308 -6.688 1.00 0.00 C ATOM 331 O PRO A 21 -10.344 8.190 -7.012 1.00 0.00 O ATOM 332 CB PRO A 21 -7.959 10.194 -7.900 1.00 0.00 C ATOM 333 CG PRO A 21 -8.943 10.552 -9.015 1.00 0.00 C ATOM 334 CD PRO A 21 -9.069 9.291 -9.862 1.00 0.00 C ATOM 0 HA PRO A 21 -7.160 8.236 -7.424 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.200 10.715 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.939 10.471 -8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.909 10.849 -8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.577 11.389 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.107 9.114 -10.145 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.498 9.384 -10.786 1.00 0.00 H new ATOM 342 N VAL A 22 -8.757 8.144 -5.428 1.00 0.00 N ATOM 343 CA VAL A 22 -9.692 7.863 -4.332 1.00 0.00 C ATOM 344 C VAL A 22 -10.173 9.193 -3.733 1.00 0.00 C ATOM 345 O VAL A 22 -9.475 10.211 -3.856 1.00 0.00 O ATOM 346 CB VAL A 22 -9.023 6.942 -3.282 1.00 0.00 C ATOM 347 CG1 VAL A 22 -10.049 6.392 -2.279 1.00 0.00 C ATOM 348 CG2 VAL A 22 -8.330 5.735 -3.939 1.00 0.00 C ATOM 0 H VAL A 22 -7.781 8.201 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.566 7.328 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.287 7.562 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.544 5.750 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.527 7.220 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.805 5.815 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.873 5.114 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.066 5.148 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.560 6.087 -4.625 1.00 0.00 H new ATOM 358 N THR A 23 -11.321 9.188 -3.052 1.00 0.00 N ATOM 359 CA THR A 23 -11.909 10.345 -2.392 1.00 0.00 C ATOM 360 C THR A 23 -12.279 9.936 -0.963 1.00 0.00 C ATOM 361 O THR A 23 -13.042 8.989 -0.762 1.00 0.00 O ATOM 362 CB THR A 23 -13.144 10.801 -3.181 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.949 10.734 -4.581 1.00 0.00 O ATOM 364 CG2 THR A 23 -13.558 12.226 -2.831 1.00 0.00 C ATOM 0 H THR A 23 -11.884 8.344 -2.944 1.00 0.00 H new ATOM 0 HA THR A 23 -11.208 11.179 -2.354 1.00 0.00 H new ATOM 0 HB THR A 23 -13.933 10.107 -2.892 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.762 11.032 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.436 12.504 -3.414 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.795 12.286 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.740 12.909 -3.059 1.00 0.00 H new ATOM 372 N SER A 24 -11.772 10.664 0.033 1.00 0.00 N ATOM 373 CA SER A 24 -11.766 10.341 1.449 1.00 0.00 C ATOM 374 C SER A 24 -11.713 11.666 2.207 1.00 0.00 C ATOM 375 O SER A 24 -10.973 12.568 1.804 1.00 0.00 O ATOM 376 CB SER A 24 -10.540 9.503 1.829 1.00 0.00 C ATOM 377 OG SER A 24 -10.298 8.441 0.922 1.00 0.00 O ATOM 0 H SER A 24 -11.322 11.561 -0.150 1.00 0.00 H new ATOM 0 HA SER A 24 -12.654 9.760 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.662 10.148 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.681 9.095 2.830 1.00 0.00 H new ATOM 0 HG SER A 24 -9.359 8.457 0.643 1.00 0.00 H new ATOM 383 N ASP A 25 -12.525 11.776 3.254 1.00 0.00 N ATOM 384 CA ASP A 25 -12.676 12.936 4.147 1.00 0.00 C ATOM 385 C ASP A 25 -11.302 13.443 4.595 1.00 0.00 C ATOM 386 O ASP A 25 -10.719 14.323 3.964 1.00 0.00 O ATOM 387 CB ASP A 25 -13.586 12.603 5.353 1.00 0.00 C ATOM 388 CG ASP A 25 -14.358 13.825 5.858 1.00 0.00 C ATOM 389 OD1 ASP A 25 -13.750 14.771 6.397 1.00 0.00 O ATOM 390 OD2 ASP A 25 -15.608 13.832 5.775 1.00 0.00 O ATOM 0 H ASP A 25 -13.140 11.009 3.525 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.166 13.737 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.292 11.823 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.978 12.201 6.163 1.00 0.00 H new ATOM 395 N LYS A 26 -10.736 12.836 5.639 1.00 0.00 N ATOM 396 CA LYS A 26 -9.391 13.086 6.134 1.00 0.00 C ATOM 397 C LYS A 26 -8.632 11.798 6.462 1.00 0.00 C ATOM 398 O LYS A 26 -7.467 11.856 6.845 1.00 0.00 O ATOM 399 CB LYS A 26 -9.420 14.055 7.323 1.00 0.00 C ATOM 400 CG LYS A 26 -10.157 13.645 8.610 1.00 0.00 C ATOM 401 CD LYS A 26 -11.576 14.209 8.777 1.00 0.00 C ATOM 402 CE LYS A 26 -11.677 15.745 8.889 1.00 0.00 C ATOM 403 NZ LYS A 26 -11.939 16.450 7.612 1.00 0.00 N ATOM 0 H LYS A 26 -11.228 12.127 6.183 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.834 13.561 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.387 14.274 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.863 14.988 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.213 12.557 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.558 13.960 9.465 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.178 13.885 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.020 13.768 9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.472 15.991 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.747 16.125 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.573 17.256 7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.041 16.794 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.387 15.795 6.939 1.00 0.00 H new ATOM 417 N ASN A 27 -9.287 10.649 6.286 1.00 0.00 N ATOM 418 CA ASN A 27 -8.767 9.316 6.553 1.00 0.00 C ATOM 419 C ASN A 27 -8.697 8.574 5.214 1.00 0.00 C ATOM 420 O ASN A 27 -9.647 7.877 4.864 1.00 0.00 O ATOM 421 CB ASN A 27 -9.686 8.592 7.554 1.00 0.00 C ATOM 422 CG ASN A 27 -9.511 9.103 8.975 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.436 8.981 9.553 1.00 0.00 O ATOM 424 ND2 ASN A 27 -10.530 9.669 9.599 1.00 0.00 N ATOM 0 H ASN A 27 -10.244 10.627 5.935 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.773 9.358 6.998 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.724 8.722 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.477 7.523 7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.420 10.002 10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.426 9.773 9.123 1.00 0.00 H new ATOM 431 N PRO A 28 -7.658 8.781 4.391 1.00 0.00 N ATOM 432 CA PRO A 28 -7.487 8.066 3.125 1.00 0.00 C ATOM 433 C PRO A 28 -7.170 6.575 3.298 1.00 0.00 C ATOM 434 O PRO A 28 -6.739 6.170 4.379 1.00 0.00 O ATOM 435 CB PRO A 28 -6.306 8.751 2.441 1.00 0.00 C ATOM 436 CG PRO A 28 -5.574 9.527 3.529 1.00 0.00 C ATOM 437 CD PRO A 28 -6.637 9.799 4.574 1.00 0.00 C ATOM 0 HA PRO A 28 -8.416 8.104 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.647 8.018 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.648 9.419 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.748 8.949 3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.151 10.454 3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.216 9.752 5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.057 10.797 4.451 1.00 0.00 H new ATOM 445 N PRO A 29 -7.210 5.766 2.217 1.00 0.00 N ATOM 446 CA PRO A 29 -6.288 4.654 2.106 1.00 0.00 C ATOM 447 C PRO A 29 -4.874 5.240 2.062 1.00 0.00 C ATOM 448 O PRO A 29 -4.464 5.923 1.117 1.00 0.00 O ATOM 449 CB PRO A 29 -6.655 3.869 0.851 1.00 0.00 C ATOM 450 CG PRO A 29 -7.554 4.799 0.044 1.00 0.00 C ATOM 451 CD PRO A 29 -7.862 6.002 0.936 1.00 0.00 C ATOM 0 HA PRO A 29 -6.338 3.964 2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.765 3.593 0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.172 2.943 1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.058 5.115 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.472 4.290 -0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.495 6.922 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.938 6.118 1.067 1.00 0.00 H new ATOM 459 N GLU A 30 -4.148 5.014 3.139 1.00 0.00 N ATOM 460 CA GLU A 30 -2.761 5.361 3.368 1.00 0.00 C ATOM 461 C GLU A 30 -2.082 4.081 3.882 1.00 0.00 C ATOM 462 O GLU A 30 -2.757 3.125 4.292 1.00 0.00 O ATOM 463 CB GLU A 30 -2.709 6.545 4.351 1.00 0.00 C ATOM 464 CG GLU A 30 -3.060 6.080 5.759 1.00 0.00 C ATOM 465 CD GLU A 30 -3.313 7.177 6.791 1.00 0.00 C ATOM 466 OE1 GLU A 30 -4.367 7.854 6.752 1.00 0.00 O ATOM 467 OE2 GLU A 30 -2.525 7.247 7.765 1.00 0.00 O ATOM 0 H GLU A 30 -4.551 4.540 3.948 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.232 5.694 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.713 6.988 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.405 7.321 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.950 5.454 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.249 5.449 6.123 1.00 0.00 H new ATOM 474 N ILE A 31 -0.758 4.060 3.874 1.00 0.00 N ATOM 475 CA ILE A 31 0.068 2.938 4.264 1.00 0.00 C ATOM 476 C ILE A 31 1.323 3.509 4.925 1.00 0.00 C ATOM 477 O ILE A 31 1.836 4.559 4.529 1.00 0.00 O ATOM 478 CB ILE A 31 0.339 2.066 3.012 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.994 0.724 3.386 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.157 2.799 1.927 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.028 -0.247 2.201 1.00 0.00 C ATOM 0 H ILE A 31 -0.208 4.867 3.580 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.409 2.279 4.989 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.638 1.858 2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.010 0.902 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.445 0.270 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.312 2.134 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.615 3.686 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.122 3.095 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.498 -1.181 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.011 -0.447 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.599 0.195 1.385 1.00 0.00 H new ATOM 493 N SER A 32 1.844 2.804 5.910 1.00 0.00 N ATOM 494 CA SER A 32 3.136 3.015 6.512 1.00 0.00 C ATOM 495 C SER A 32 3.820 1.654 6.612 1.00 0.00 C ATOM 496 O SER A 32 3.243 0.607 6.296 1.00 0.00 O ATOM 497 CB SER A 32 2.976 3.747 7.852 1.00 0.00 C ATOM 498 OG SER A 32 2.044 3.142 8.731 1.00 0.00 O ATOM 0 H SER A 32 1.343 2.023 6.333 1.00 0.00 H new ATOM 0 HA SER A 32 3.774 3.663 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.947 3.796 8.346 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.664 4.773 7.659 1.00 0.00 H new ATOM 0 HG SER A 32 1.995 3.659 9.562 1.00 0.00 H new ATOM 504 N PHE A 33 5.084 1.670 7.009 1.00 0.00 N ATOM 505 CA PHE A 33 5.917 0.486 7.052 1.00 0.00 C ATOM 506 C PHE A 33 6.711 0.517 8.357 1.00 0.00 C ATOM 507 O PHE A 33 6.456 1.357 9.225 1.00 0.00 O ATOM 508 CB PHE A 33 6.777 0.434 5.774 1.00 0.00 C ATOM 509 CG PHE A 33 5.982 0.284 4.481 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.586 -0.996 4.055 1.00 0.00 C ATOM 511 CD2 PHE A 33 5.657 1.405 3.688 1.00 0.00 C ATOM 512 CE1 PHE A 33 4.890 -1.160 2.842 1.00 0.00 C ATOM 513 CE2 PHE A 33 4.950 1.241 2.478 1.00 0.00 C ATOM 514 CZ PHE A 33 4.576 -0.046 2.042 1.00 0.00 C ATOM 0 H PHE A 33 5.562 2.518 7.313 1.00 0.00 H new ATOM 0 HA PHE A 33 5.339 -0.438 7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.373 1.345 5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.475 -0.399 5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.817 -1.859 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.951 2.393 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.595 -2.149 2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.694 2.106 1.883 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.055 -0.176 1.105 1.00 0.00 H new ATOM 524 N GLY A 34 7.642 -0.413 8.531 1.00 0.00 N ATOM 525 CA GLY A 34 8.603 -0.395 9.618 1.00 0.00 C ATOM 526 C GLY A 34 9.450 -1.644 9.559 1.00 0.00 C ATOM 527 O GLY A 34 9.588 -2.257 8.496 1.00 0.00 O ATOM 0 H GLY A 34 7.749 -1.213 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.235 0.490 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.085 -0.338 10.575 1.00 0.00 H new ATOM 531 N GLU A 35 10.073 -1.955 10.689 1.00 0.00 N ATOM 532 CA GLU A 35 11.122 -2.945 10.814 1.00 0.00 C ATOM 533 C GLU A 35 10.701 -4.296 10.235 1.00 0.00 C ATOM 534 O GLU A 35 9.516 -4.626 10.169 1.00 0.00 O ATOM 535 CB GLU A 35 11.527 -3.085 12.288 1.00 0.00 C ATOM 536 CG GLU A 35 13.036 -3.307 12.391 1.00 0.00 C ATOM 537 CD GLU A 35 13.414 -4.062 13.664 1.00 0.00 C ATOM 538 OE1 GLU A 35 13.305 -5.309 13.666 1.00 0.00 O ATOM 539 OE2 GLU A 35 13.856 -3.432 14.650 1.00 0.00 O ATOM 0 H GLU A 35 9.848 -1.503 11.576 1.00 0.00 H new ATOM 0 HA GLU A 35 11.981 -2.605 10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.244 -2.188 12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.995 -3.921 12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.381 -3.866 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.547 -2.344 12.374 1.00 0.00 H new ATOM 546 N LYS A 36 11.678 -5.098 9.808 1.00 0.00 N ATOM 547 CA LYS A 36 11.447 -6.309 9.029 1.00 0.00 C ATOM 548 C LYS A 36 10.583 -6.044 7.787 1.00 0.00 C ATOM 549 O LYS A 36 9.951 -6.987 7.312 1.00 0.00 O ATOM 550 CB LYS A 36 10.888 -7.439 9.928 1.00 0.00 C ATOM 551 CG LYS A 36 11.929 -7.996 10.916 1.00 0.00 C ATOM 552 CD LYS A 36 11.828 -9.521 11.073 1.00 0.00 C ATOM 553 CE LYS A 36 12.237 -10.217 9.765 1.00 0.00 C ATOM 554 NZ LYS A 36 12.035 -11.674 9.812 1.00 0.00 N ATOM 0 H LYS A 36 12.664 -4.919 9.998 1.00 0.00 H new ATOM 0 HA LYS A 36 12.408 -6.652 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.032 -7.061 10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.524 -8.250 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.930 -7.734 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.793 -7.523 11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.472 -9.854 11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.808 -9.800 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.659 -9.800 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.286 -10.006 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.326 -12.094 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.606 -12.079 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.030 -11.880 9.982 1.00 0.00 H new ATOM 568 N MET A 37 10.581 -4.829 7.220 1.00 0.00 N ATOM 569 CA MET A 37 9.723 -4.429 6.103 1.00 0.00 C ATOM 570 C MET A 37 8.236 -4.678 6.427 1.00 0.00 C ATOM 571 O MET A 37 7.427 -4.899 5.523 1.00 0.00 O ATOM 572 CB MET A 37 10.182 -5.143 4.808 1.00 0.00 C ATOM 573 CG MET A 37 11.265 -4.391 4.039 1.00 0.00 C ATOM 574 SD MET A 37 10.872 -2.695 3.522 1.00 0.00 S ATOM 575 CE MET A 37 9.199 -2.931 2.878 1.00 0.00 C ATOM 0 H MET A 37 11.195 -4.079 7.537 1.00 0.00 H new ATOM 0 HA MET A 37 9.821 -3.356 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.554 -6.135 5.064 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.319 -5.284 4.157 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.161 -4.359 4.658 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.513 -4.969 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.851 -2.004 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.206 -3.724 2.130 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.531 -3.207 3.694 1.00 0.00 H new ATOM 585 N MET A 38 7.854 -4.672 7.708 1.00 0.00 N ATOM 586 CA MET A 38 6.465 -4.801 8.125 1.00 0.00 C ATOM 587 C MET A 38 5.613 -3.725 7.473 1.00 0.00 C ATOM 588 O MET A 38 6.097 -2.638 7.157 1.00 0.00 O ATOM 589 CB MET A 38 6.354 -4.647 9.641 1.00 0.00 C ATOM 590 CG MET A 38 6.376 -5.972 10.394 1.00 0.00 C ATOM 591 SD MET A 38 4.943 -7.051 10.087 1.00 0.00 S ATOM 592 CE MET A 38 3.546 -5.965 10.490 1.00 0.00 C ATOM 0 H MET A 38 8.508 -4.577 8.485 1.00 0.00 H new ATOM 0 HA MET A 38 6.113 -5.787 7.821 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.175 -4.024 9.995 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.429 -4.120 9.877 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.284 -6.512 10.124 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.434 -5.765 11.463 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.762 -6.546 10.976 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.882 -5.174 11.161 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.154 -5.522 9.575 1.00 0.00 H new ATOM 602 N ILE A 39 4.323 -4.024 7.360 1.00 0.00 N ATOM 603 CA ILE A 39 3.340 -3.202 6.684 1.00 0.00 C ATOM 604 C ILE A 39 2.221 -2.898 7.679 1.00 0.00 C ATOM 605 O ILE A 39 1.757 -3.800 8.390 1.00 0.00 O ATOM 606 CB ILE A 39 2.820 -3.903 5.406 1.00 0.00 C ATOM 607 CG1 ILE A 39 3.936 -4.585 4.575 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.112 -2.863 4.528 1.00 0.00 C ATOM 609 CD1 ILE A 39 3.405 -5.338 3.355 1.00 0.00 C ATOM 0 H ILE A 39 3.925 -4.877 7.753 1.00 0.00 H new ATOM 0 HA ILE A 39 3.785 -2.264 6.351 1.00 0.00 H new ATOM 0 HB ILE A 39 2.141 -4.692 5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.648 -3.828 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.482 -5.280 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.740 -3.343 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.277 -2.430 5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.815 -2.075 4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.237 -5.792 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.715 -6.117 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.884 -4.643 2.697 1.00 0.00 H new ATOM 621 N SER A 40 1.797 -1.636 7.702 1.00 0.00 N ATOM 622 CA SER A 40 0.614 -1.156 8.390 1.00 0.00 C ATOM 623 C SER A 40 -0.156 -0.308 7.386 1.00 0.00 C ATOM 624 O SER A 40 0.391 0.651 6.857 1.00 0.00 O ATOM 625 CB SER A 40 1.037 -0.319 9.600 1.00 0.00 C ATOM 626 OG SER A 40 1.780 -1.105 10.520 1.00 0.00 O ATOM 0 H SER A 40 2.296 -0.891 7.217 1.00 0.00 H new ATOM 0 HA SER A 40 -0.007 -1.974 8.754 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.638 0.528 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.154 0.089 10.093 1.00 0.00 H new ATOM 0 HG SER A 40 2.043 -0.552 11.285 1.00 0.00 H new ATOM 632 N GLY A 41 -1.402 -0.640 7.072 1.00 0.00 N ATOM 633 CA GLY A 41 -2.202 0.128 6.135 1.00 0.00 C ATOM 634 C GLY A 41 -3.654 -0.276 6.280 1.00 0.00 C ATOM 635 O GLY A 41 -3.957 -1.301 6.902 1.00 0.00 O ATOM 0 H GLY A 41 -1.884 -1.450 7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.087 1.195 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.862 -0.050 5.115 1.00 0.00 H new ATOM 639 N SER A 42 -4.573 0.517 5.731 1.00 0.00 N ATOM 640 CA SER A 42 -5.980 0.234 5.890 1.00 0.00 C ATOM 641 C SER A 42 -6.813 0.882 4.789 1.00 0.00 C ATOM 642 O SER A 42 -6.922 2.108 4.710 1.00 0.00 O ATOM 643 CB SER A 42 -6.404 0.556 7.344 1.00 0.00 C ATOM 644 OG SER A 42 -6.328 1.928 7.678 1.00 0.00 O ATOM 0 H SER A 42 -4.362 1.349 5.180 1.00 0.00 H new ATOM 0 HA SER A 42 -6.178 -0.829 5.753 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.427 0.212 7.497 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.772 -0.009 8.029 1.00 0.00 H new ATOM 0 HG SER A 42 -6.515 2.469 6.883 1.00 0.00 H new ATOM 650 N MET A 43 -7.326 0.039 3.888 1.00 0.00 N ATOM 651 CA MET A 43 -8.103 0.454 2.735 1.00 0.00 C ATOM 652 C MET A 43 -9.567 0.563 3.128 1.00 0.00 C ATOM 653 O MET A 43 -10.172 1.622 2.981 1.00 0.00 O ATOM 654 CB MET A 43 -7.952 -0.548 1.578 1.00 0.00 C ATOM 655 CG MET A 43 -6.506 -0.894 1.213 1.00 0.00 C ATOM 656 SD MET A 43 -5.513 0.511 0.650 1.00 0.00 S ATOM 657 CE MET A 43 -4.368 -0.368 -0.434 1.00 0.00 C ATOM 0 H MET A 43 -7.205 -0.972 3.949 1.00 0.00 H new ATOM 0 HA MET A 43 -7.734 1.423 2.398 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.475 -1.467 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.447 -0.141 0.696 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.022 -1.338 2.083 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.514 -1.653 0.430 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.423 0.173 -0.481 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.193 -1.370 -0.043 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.795 -0.439 -1.434 1.00 0.00 H new ATOM 667 N CYS A 44 -10.139 -0.544 3.610 1.00 0.00 N ATOM 668 CA CYS A 44 -11.540 -0.596 4.017 1.00 0.00 C ATOM 669 C CYS A 44 -11.809 -1.697 5.052 1.00 0.00 C ATOM 670 O CYS A 44 -12.848 -1.709 5.701 1.00 0.00 O ATOM 671 CB CYS A 44 -12.396 -0.834 2.769 1.00 0.00 C ATOM 672 SG CYS A 44 -14.200 -0.747 2.953 1.00 0.00 S ATOM 0 H CYS A 44 -9.642 -1.427 3.728 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.795 0.352 4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.100 -0.104 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.146 -1.819 2.374 1.00 0.00 H new ATOM 677 N ASN A 45 -10.916 -2.684 5.164 1.00 0.00 N ATOM 678 CA ASN A 45 -10.994 -3.820 6.098 1.00 0.00 C ATOM 679 C ASN A 45 -9.699 -3.893 6.923 1.00 0.00 C ATOM 680 O ASN A 45 -9.337 -4.927 7.479 1.00 0.00 O ATOM 681 CB ASN A 45 -11.271 -5.131 5.340 1.00 0.00 C ATOM 682 CG ASN A 45 -12.751 -5.360 5.055 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.365 -6.305 5.540 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.398 -4.472 4.325 1.00 0.00 N ATOM 0 H ASN A 45 -10.079 -2.718 4.581 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.827 -3.671 6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.724 -5.120 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.886 -5.968 5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.401 -4.574 4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.896 -3.683 3.918 1.00 0.00 H new ATOM 691 N ARG A 46 -8.930 -2.804 6.922 1.00 0.00 N ATOM 692 CA ARG A 46 -7.524 -2.711 7.295 1.00 0.00 C ATOM 693 C ARG A 46 -6.660 -3.846 6.726 1.00 0.00 C ATOM 694 O ARG A 46 -7.144 -4.543 5.840 1.00 0.00 O ATOM 695 CB ARG A 46 -7.348 -2.316 8.761 1.00 0.00 C ATOM 696 CG ARG A 46 -7.523 -3.419 9.770 1.00 0.00 C ATOM 697 CD ARG A 46 -6.656 -3.122 10.985 1.00 0.00 C ATOM 698 NE ARG A 46 -6.894 -4.095 12.057 1.00 0.00 N ATOM 699 CZ ARG A 46 -5.967 -4.777 12.738 1.00 0.00 C ATOM 700 NH1 ARG A 46 -4.676 -4.700 12.432 1.00 0.00 N ATOM 701 NH2 ARG A 46 -6.352 -5.561 13.737 1.00 0.00 N ATOM 0 H ARG A 46 -9.304 -1.898 6.639 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.077 -1.863 6.777 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.351 -1.893 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.061 -1.524 8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.570 -3.497 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.243 -4.377 9.333 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.605 -3.142 10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.868 -2.117 11.349 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.867 -4.269 12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.369 -4.109 11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.992 -5.232 12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.341 -5.636 13.974 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.659 -6.089 14.267 1.00 0.00 H new ATOM 715 N PHE A 47 -5.385 -3.982 7.101 1.00 0.00 N ATOM 716 CA PHE A 47 -4.554 -5.180 6.899 1.00 0.00 C ATOM 717 C PHE A 47 -3.223 -4.989 7.608 1.00 0.00 C ATOM 718 O PHE A 47 -2.827 -3.865 7.937 1.00 0.00 O ATOM 719 CB PHE A 47 -4.319 -5.543 5.407 1.00 0.00 C ATOM 720 CG PHE A 47 -3.475 -4.572 4.602 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.010 -3.335 4.189 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.174 -4.928 4.212 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.238 -2.449 3.416 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.412 -4.059 3.415 1.00 0.00 C ATOM 725 CZ PHE A 47 -1.938 -2.816 3.026 1.00 0.00 C ATOM 0 H PHE A 47 -4.880 -3.232 7.573 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.104 -6.020 7.324 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.846 -6.524 5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.290 -5.636 4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.018 -3.066 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.758 -5.874 4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.642 -1.491 3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.420 -4.347 3.100 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.344 -2.142 2.427 1.00 0.00 H new ATOM 735 N SER A 48 -2.508 -6.086 7.822 1.00 0.00 N ATOM 736 CA SER A 48 -1.201 -6.092 8.447 1.00 0.00 C ATOM 737 C SER A 48 -0.445 -7.332 7.984 1.00 0.00 C ATOM 738 O SER A 48 -1.033 -8.416 8.001 1.00 0.00 O ATOM 739 CB SER A 48 -1.398 -6.094 9.968 1.00 0.00 C ATOM 740 OG SER A 48 -2.375 -6.993 10.480 1.00 0.00 O ATOM 0 H SER A 48 -2.833 -7.016 7.558 1.00 0.00 H new ATOM 0 HA SER A 48 -0.621 -5.212 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.441 -6.327 10.436 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.667 -5.084 10.279 1.00 0.00 H new ATOM 0 HG SER A 48 -2.415 -6.911 11.456 1.00 0.00 H new ATOM 746 N GLY A 49 0.834 -7.229 7.608 1.00 0.00 N ATOM 747 CA GLY A 49 1.620 -8.421 7.341 1.00 0.00 C ATOM 748 C GLY A 49 3.085 -8.056 7.201 1.00 0.00 C ATOM 749 O GLY A 49 3.425 -6.882 7.036 1.00 0.00 O ATOM 0 H GLY A 49 1.332 -6.348 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.492 -9.140 8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.268 -8.902 6.428 1.00 0.00 H new ATOM 753 N GLU A 50 3.952 -9.063 7.255 1.00 0.00 N ATOM 754 CA GLU A 50 5.373 -8.870 7.107 1.00 0.00 C ATOM 755 C GLU A 50 5.710 -8.825 5.623 1.00 0.00 C ATOM 756 O GLU A 50 5.718 -9.836 4.910 1.00 0.00 O ATOM 757 CB GLU A 50 6.151 -9.883 7.951 1.00 0.00 C ATOM 758 CG GLU A 50 6.291 -11.308 7.400 1.00 0.00 C ATOM 759 CD GLU A 50 6.184 -12.318 8.530 1.00 0.00 C ATOM 760 OE1 GLU A 50 5.031 -12.529 8.969 1.00 0.00 O ATOM 761 OE2 GLU A 50 7.200 -12.894 8.983 1.00 0.00 O ATOM 0 H GLU A 50 3.678 -10.034 7.403 1.00 0.00 H new ATOM 0 HA GLU A 50 5.694 -7.909 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.153 -9.486 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.671 -9.946 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.515 -11.497 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.250 -11.418 6.893 1.00 0.00 H new ATOM 768 N GLY A 51 5.940 -7.608 5.144 1.00 0.00 N ATOM 769 CA GLY A 51 6.612 -7.413 3.875 1.00 0.00 C ATOM 770 C GLY A 51 8.006 -8.065 3.880 1.00 0.00 C ATOM 771 O GLY A 51 8.502 -8.565 4.897 1.00 0.00 O ATOM 0 H GLY A 51 5.670 -6.746 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.011 -7.840 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.707 -6.347 3.670 1.00 0.00 H new ATOM 775 N LYS A 52 8.685 -8.046 2.738 1.00 0.00 N ATOM 776 CA LYS A 52 10.136 -8.150 2.641 1.00 0.00 C ATOM 777 C LYS A 52 10.548 -7.222 1.510 1.00 0.00 C ATOM 778 O LYS A 52 9.722 -6.897 0.654 1.00 0.00 O ATOM 779 CB LYS A 52 10.554 -9.608 2.392 1.00 0.00 C ATOM 780 CG LYS A 52 12.055 -9.855 2.655 1.00 0.00 C ATOM 781 CD LYS A 52 12.402 -11.342 2.796 1.00 0.00 C ATOM 782 CE LYS A 52 12.392 -12.057 1.441 1.00 0.00 C ATOM 783 NZ LYS A 52 12.450 -13.525 1.589 1.00 0.00 N ATOM 0 H LYS A 52 8.229 -7.955 1.830 1.00 0.00 H new ATOM 0 HA LYS A 52 10.634 -7.856 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.965 -10.264 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.322 -9.877 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.636 -9.428 1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.350 -9.331 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.386 -11.444 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.687 -11.821 3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.490 -11.783 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.241 -11.719 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.441 -13.969 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.323 -13.789 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.627 -13.852 2.134 1.00 0.00 H new ATOM 797 N LEU A 53 11.808 -6.803 1.485 1.00 0.00 N ATOM 798 CA LEU A 53 12.392 -6.090 0.370 1.00 0.00 C ATOM 799 C LEU A 53 13.859 -6.471 0.313 1.00 0.00 C ATOM 800 O LEU A 53 14.694 -5.919 1.033 1.00 0.00 O ATOM 801 CB LEU A 53 12.190 -4.573 0.489 1.00 0.00 C ATOM 802 CG LEU A 53 12.778 -3.821 -0.718 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.177 -4.298 -2.047 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.475 -2.338 -0.576 1.00 0.00 C ATOM 0 H LEU A 53 12.459 -6.955 2.256 1.00 0.00 H new ATOM 0 HA LEU A 53 11.897 -6.370 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.125 -4.354 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.660 -4.215 1.405 1.00 0.00 H new ATOM 0 HG LEU A 53 13.851 -4.015 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.623 -3.739 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.381 -5.361 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.099 -4.134 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.889 -1.799 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.396 -2.189 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.923 -1.962 0.344 1.00 0.00 H new ATOM 816 N SER A 54 14.161 -7.463 -0.520 1.00 0.00 N ATOM 817 CA SER A 54 15.545 -7.852 -0.759 1.00 0.00 C ATOM 818 C SER A 54 15.796 -8.121 -2.247 1.00 0.00 C ATOM 819 O SER A 54 16.891 -8.549 -2.624 1.00 0.00 O ATOM 820 CB SER A 54 15.929 -8.982 0.217 1.00 0.00 C ATOM 821 OG SER A 54 17.326 -9.030 0.445 1.00 0.00 O ATOM 0 H SER A 54 13.471 -8.008 -1.037 1.00 0.00 H new ATOM 0 HA SER A 54 16.230 -7.034 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.411 -8.835 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.593 -9.938 -0.184 1.00 0.00 H new ATOM 0 HG SER A 54 17.531 -9.757 1.069 1.00 0.00 H new ATOM 827 N ASN A 55 14.820 -7.854 -3.118 1.00 0.00 N ATOM 828 CA ASN A 55 14.952 -7.977 -4.570 1.00 0.00 C ATOM 829 C ASN A 55 14.217 -6.896 -5.354 1.00 0.00 C ATOM 830 O ASN A 55 14.590 -6.670 -6.495 1.00 0.00 O ATOM 831 CB ASN A 55 14.484 -9.354 -5.056 1.00 0.00 C ATOM 832 CG ASN A 55 13.014 -9.635 -4.807 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.618 -9.960 -3.688 1.00 0.00 O ATOM 834 ND2 ASN A 55 12.190 -9.518 -5.826 1.00 0.00 N ATOM 0 H ASN A 55 13.895 -7.539 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 55 16.017 -7.850 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.682 -9.436 -6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 55 15.078 -10.123 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.194 -9.698 -5.700 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.547 -9.247 -6.742 1.00 0.00 H new ATOM 841 N GLY A 56 13.218 -6.231 -4.770 1.00 0.00 N ATOM 842 CA GLY A 56 12.338 -5.296 -5.473 1.00 0.00 C ATOM 843 C GLY A 56 10.869 -5.719 -5.438 1.00 0.00 C ATOM 844 O GLY A 56 10.048 -5.111 -6.124 1.00 0.00 O ATOM 0 H GLY A 56 12.994 -6.329 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.437 -4.307 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.662 -5.211 -6.510 1.00 0.00 H new ATOM 848 N GLU A 57 10.514 -6.755 -4.670 1.00 0.00 N ATOM 849 CA GLU A 57 9.171 -7.320 -4.664 1.00 0.00 C ATOM 850 C GLU A 57 8.678 -7.365 -3.225 1.00 0.00 C ATOM 851 O GLU A 57 9.376 -7.888 -2.351 1.00 0.00 O ATOM 852 CB GLU A 57 9.225 -8.716 -5.286 1.00 0.00 C ATOM 853 CG GLU A 57 7.863 -9.398 -5.446 1.00 0.00 C ATOM 854 CD GLU A 57 8.064 -10.812 -5.992 1.00 0.00 C ATOM 855 OE1 GLU A 57 8.427 -11.718 -5.203 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.966 -11.008 -7.221 1.00 0.00 O ATOM 0 H GLU A 57 11.158 -7.224 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 57 8.479 -6.714 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.698 -8.645 -6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.863 -9.349 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.348 -9.437 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.232 -8.821 -6.123 1.00 0.00 H new ATOM 863 N LEU A 58 7.486 -6.822 -2.984 1.00 0.00 N ATOM 864 CA LEU A 58 6.808 -6.803 -1.697 1.00 0.00 C ATOM 865 C LEU A 58 5.748 -7.907 -1.678 1.00 0.00 C ATOM 866 O LEU A 58 4.624 -7.697 -2.138 1.00 0.00 O ATOM 867 CB LEU A 58 6.216 -5.396 -1.477 1.00 0.00 C ATOM 868 CG LEU A 58 5.522 -5.184 -0.118 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.537 -5.299 1.026 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.828 -3.810 -0.068 1.00 0.00 C ATOM 0 H LEU A 58 6.945 -6.363 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 58 7.495 -7.003 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.016 -4.662 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.497 -5.193 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 58 4.766 -5.960 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.030 -5.147 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.991 -6.290 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.312 -4.543 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.345 -3.682 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.568 -3.023 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.079 -3.752 -0.858 1.00 0.00 H new ATOM 882 N THR A 59 6.093 -9.088 -1.158 1.00 0.00 N ATOM 883 CA THR A 59 5.096 -10.077 -0.749 1.00 0.00 C ATOM 884 C THR A 59 4.770 -9.842 0.729 1.00 0.00 C ATOM 885 O THR A 59 5.682 -9.539 1.505 1.00 0.00 O ATOM 886 CB THR A 59 5.584 -11.529 -0.962 1.00 0.00 C ATOM 887 OG1 THR A 59 6.835 -11.788 -0.336 1.00 0.00 O ATOM 888 CG2 THR A 59 5.691 -11.940 -2.427 1.00 0.00 C ATOM 0 H THR A 59 7.059 -9.382 -1.011 1.00 0.00 H new ATOM 0 HA THR A 59 4.208 -9.953 -1.369 1.00 0.00 H new ATOM 0 HB THR A 59 4.805 -12.128 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.096 -12.718 -0.500 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.039 -12.971 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.713 -11.857 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.398 -11.286 -2.938 1.00 0.00 H new ATOM 896 N ALA A 60 3.531 -10.079 1.162 1.00 0.00 N ATOM 897 CA ALA A 60 3.149 -10.161 2.566 1.00 0.00 C ATOM 898 C ALA A 60 2.129 -11.282 2.722 1.00 0.00 C ATOM 899 O ALA A 60 0.965 -11.131 2.360 1.00 0.00 O ATOM 900 CB ALA A 60 2.601 -8.827 3.068 1.00 0.00 C ATOM 0 H ALA A 60 2.747 -10.223 0.526 1.00 0.00 H new ATOM 0 HA ALA A 60 4.025 -10.383 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.325 -8.919 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.364 -8.056 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.722 -8.552 2.484 1.00 0.00 H new ATOM 906 N LYS A 61 2.580 -12.431 3.224 1.00 0.00 N ATOM 907 CA LYS A 61 1.819 -13.655 3.277 1.00 0.00 C ATOM 908 C LYS A 61 0.621 -13.535 4.197 1.00 0.00 C ATOM 909 O LYS A 61 -0.505 -13.744 3.753 1.00 0.00 O ATOM 910 CB LYS A 61 2.776 -14.764 3.718 1.00 0.00 C ATOM 911 CG LYS A 61 3.774 -15.086 2.606 1.00 0.00 C ATOM 912 CD LYS A 61 4.777 -16.155 3.039 1.00 0.00 C ATOM 913 CE LYS A 61 5.915 -16.228 2.022 1.00 0.00 C ATOM 914 NZ LYS A 61 6.864 -15.101 2.164 1.00 0.00 N ATOM 0 H LYS A 61 3.517 -12.527 3.615 1.00 0.00 H new ATOM 0 HA LYS A 61 1.405 -13.887 2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.311 -14.455 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.210 -15.659 3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.236 -15.428 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.308 -14.179 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.173 -15.919 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.282 -17.123 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.450 -17.169 2.145 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.500 -16.227 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.725 -15.301 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.423 -14.229 1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.112 -14.981 3.167 1.00 0.00 H new ATOM 928 N GLY A 62 0.892 -13.266 5.472 1.00 0.00 N ATOM 929 CA GLY A 62 -0.049 -13.403 6.573 1.00 0.00 C ATOM 930 C GLY A 62 -1.315 -12.607 6.317 1.00 0.00 C ATOM 931 O GLY A 62 -2.390 -13.183 6.178 1.00 0.00 O ATOM 0 H GLY A 62 1.808 -12.935 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.300 -14.455 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.417 -13.062 7.497 1.00 0.00 H new ATOM 935 N LEU A 63 -1.144 -11.294 6.158 1.00 0.00 N ATOM 936 CA LEU A 63 -2.112 -10.328 5.691 1.00 0.00 C ATOM 937 C LEU A 63 -3.470 -10.419 6.400 1.00 0.00 C ATOM 938 O LEU A 63 -4.513 -10.662 5.793 1.00 0.00 O ATOM 939 CB LEU A 63 -2.236 -10.486 4.185 1.00 0.00 C ATOM 940 CG LEU A 63 -2.786 -9.214 3.556 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.631 -8.269 3.217 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.590 -9.592 2.317 1.00 0.00 C ATOM 0 H LEU A 63 -0.249 -10.854 6.373 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.755 -9.328 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.261 -10.717 3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.892 -11.325 3.955 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.445 -8.692 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.026 -7.358 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.088 -8.017 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.955 -8.757 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.991 -8.690 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.943 -10.107 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.411 -10.249 2.603 1.00 0.00 H new ATOM 954 N ALA A 64 -3.453 -10.215 7.708 1.00 0.00 N ATOM 955 CA ALA A 64 -4.652 -10.308 8.536 1.00 0.00 C ATOM 956 C ALA A 64 -5.503 -9.047 8.418 1.00 0.00 C ATOM 957 O ALA A 64 -4.961 -7.949 8.530 1.00 0.00 O ATOM 958 CB ALA A 64 -4.244 -10.492 9.987 1.00 0.00 C ATOM 0 H ALA A 64 -2.608 -9.980 8.229 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.241 -11.158 8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.136 -10.562 10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.659 -11.406 10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.644 -9.640 10.307 1.00 0.00 H new ATOM 964 N MET A 65 -6.823 -9.192 8.264 1.00 0.00 N ATOM 965 CA MET A 65 -7.765 -8.097 7.987 1.00 0.00 C ATOM 966 C MET A 65 -9.012 -8.185 8.898 1.00 0.00 C ATOM 967 O MET A 65 -9.072 -9.044 9.790 1.00 0.00 O ATOM 968 CB MET A 65 -8.144 -8.136 6.497 1.00 0.00 C ATOM 969 CG MET A 65 -6.936 -8.210 5.559 1.00 0.00 C ATOM 970 SD MET A 65 -7.329 -8.199 3.795 1.00 0.00 S ATOM 971 CE MET A 65 -7.797 -6.461 3.607 1.00 0.00 C ATOM 0 H MET A 65 -7.282 -10.101 8.330 1.00 0.00 H new ATOM 0 HA MET A 65 -7.289 -7.142 8.208 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.787 -8.998 6.317 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.727 -7.247 6.256 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.278 -7.368 5.773 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.376 -9.118 5.784 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.175 -6.293 2.598 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.573 -6.213 4.331 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.926 -5.829 3.778 1.00 0.00 H new ATOM 981 N THR A 66 -10.006 -7.314 8.697 1.00 0.00 N ATOM 982 CA THR A 66 -11.292 -7.241 9.406 1.00 0.00 C ATOM 983 C THR A 66 -12.443 -7.716 8.504 1.00 0.00 C ATOM 984 O THR A 66 -12.208 -8.430 7.524 1.00 0.00 O ATOM 985 CB THR A 66 -11.509 -5.819 9.979 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.753 -4.859 8.985 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.317 -5.317 10.804 1.00 0.00 C ATOM 0 H THR A 66 -9.930 -6.589 7.984 1.00 0.00 H new ATOM 0 HA THR A 66 -11.275 -7.922 10.257 1.00 0.00 H new ATOM 0 HB THR A 66 -12.386 -5.929 10.617 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.163 -4.089 9.122 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.529 -4.316 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.147 -5.990 11.644 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.426 -5.288 10.176 1.00 0.00 H new ATOM 995 N ARG A 67 -13.688 -7.416 8.894 1.00 0.00 N ATOM 996 CA ARG A 67 -14.918 -7.637 8.140 1.00 0.00 C ATOM 997 C ARG A 67 -15.730 -6.344 8.210 1.00 0.00 C ATOM 998 O ARG A 67 -16.483 -6.148 9.165 1.00 0.00 O ATOM 999 CB ARG A 67 -15.703 -8.828 8.727 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.958 -10.166 8.659 1.00 0.00 C ATOM 1001 CD ARG A 67 -14.259 -10.530 9.968 1.00 0.00 C ATOM 1002 NE ARG A 67 -15.193 -10.949 11.023 1.00 0.00 N ATOM 1003 CZ ARG A 67 -14.927 -10.905 12.335 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -13.768 -10.432 12.780 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -15.814 -11.360 13.209 1.00 0.00 N ATOM 0 H ARG A 67 -13.869 -6.986 9.801 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.700 -7.885 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.945 -8.612 9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.649 -8.924 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.664 -10.955 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.219 -10.123 7.859 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -13.547 -11.334 9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.686 -9.671 10.318 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.108 -11.298 10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.067 -10.096 12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.579 -10.405 13.782 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.701 -11.744 12.883 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.610 -11.326 14.208 1.00 0.00 H new ATOM 1019 N MET A 68 -15.504 -5.399 7.296 1.00 0.00 N ATOM 1020 CA MET A 68 -16.105 -4.061 7.337 1.00 0.00 C ATOM 1021 C MET A 68 -16.550 -3.560 5.958 1.00 0.00 C ATOM 1022 O MET A 68 -16.095 -4.048 4.923 1.00 0.00 O ATOM 1023 CB MET A 68 -15.100 -3.069 7.935 1.00 0.00 C ATOM 1024 CG MET A 68 -14.700 -3.409 9.374 1.00 0.00 C ATOM 1025 SD MET A 68 -13.614 -2.224 10.228 1.00 0.00 S ATOM 1026 CE MET A 68 -12.615 -1.517 8.886 1.00 0.00 C ATOM 0 H MET A 68 -14.890 -5.542 6.494 1.00 0.00 H new ATOM 0 HA MET A 68 -16.999 -4.132 7.957 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.206 -3.047 7.312 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.530 -2.068 7.911 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.611 -3.519 9.962 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.205 -4.380 9.368 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.897 -0.810 9.301 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.082 -2.315 8.370 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.266 -1.001 8.181 1.00 0.00 H new ATOM 1036 N MET A 69 -17.415 -2.541 5.963 1.00 0.00 N ATOM 1037 CA MET A 69 -17.879 -1.763 4.817 1.00 0.00 C ATOM 1038 C MET A 69 -17.459 -0.312 5.062 1.00 0.00 C ATOM 1039 O MET A 69 -17.131 0.050 6.196 1.00 0.00 O ATOM 1040 CB MET A 69 -19.413 -1.805 4.681 1.00 0.00 C ATOM 1041 CG MET A 69 -20.041 -3.155 4.321 1.00 0.00 C ATOM 1042 SD MET A 69 -19.893 -4.462 5.575 1.00 0.00 S ATOM 1043 CE MET A 69 -18.878 -5.609 4.612 1.00 0.00 C ATOM 0 H MET A 69 -17.838 -2.217 6.833 1.00 0.00 H new ATOM 0 HA MET A 69 -17.449 -2.177 3.905 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.846 -1.470 5.623 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.706 -1.081 3.920 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.099 -2.997 4.113 1.00 0.00 H new ATOM 0 HG3 MET A 69 -19.584 -3.511 3.398 1.00 0.00 H new ATOM 0 HE1 MET A 69 -18.309 -6.247 5.288 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.522 -6.227 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.191 -5.045 3.981 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.485 0.520 4.015 1.00 0.00 N ATOM 1054 CA CYS A 70 -17.015 1.916 4.059 1.00 0.00 C ATOM 1055 C CYS A 70 -17.907 2.862 3.268 1.00 0.00 C ATOM 1056 O CYS A 70 -17.417 3.886 2.792 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.563 2.042 3.585 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.392 0.961 4.472 1.00 0.00 S ATOM 0 H CYS A 70 -17.837 0.242 3.099 1.00 0.00 H new ATOM 0 HA CYS A 70 -17.067 2.213 5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.519 1.811 2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.243 3.078 3.700 1.00 0.00 H new ATOM 1063 N ALA A 71 -19.176 2.496 3.066 1.00 0.00 N ATOM 1064 CA ALA A 71 -20.186 3.204 2.285 1.00 0.00 C ATOM 1065 C ALA A 71 -19.851 3.543 0.851 1.00 0.00 C ATOM 1066 O ALA A 71 -20.753 3.985 0.135 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.759 4.398 3.060 1.00 0.00 C ATOM 0 H ALA A 71 -19.547 1.638 3.473 1.00 0.00 H new ATOM 0 HA ALA A 71 -20.967 2.455 2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.508 4.903 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -21.220 4.045 3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.956 5.095 3.299 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.658 3.210 0.377 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.384 3.274 -1.036 1.00 0.00 C ATOM 1075 C ASN A 72 -17.573 2.056 -1.452 1.00 0.00 C ATOM 1076 O ASN A 72 -16.655 1.666 -0.722 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.632 4.558 -1.394 1.00 0.00 C ATOM 1078 CG ASN A 72 -17.501 5.650 -0.337 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -18.441 6.389 -0.054 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -16.301 5.800 0.206 1.00 0.00 N ATOM 0 H ASN A 72 -17.876 2.896 0.952 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.332 3.281 -1.574 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.626 4.276 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -18.122 4.997 -2.263 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.136 6.547 0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.542 5.169 -0.051 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.810 1.517 -2.660 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.114 0.332 -3.121 1.00 0.00 C ATOM 1089 C PRO A 73 -15.677 0.640 -3.528 1.00 0.00 C ATOM 1090 O PRO A 73 -14.878 -0.281 -3.536 1.00 0.00 O ATOM 1091 CB PRO A 73 -17.910 -0.186 -4.317 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.541 1.082 -4.878 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.835 1.899 -3.623 1.00 0.00 C ATOM 0 HA PRO A 73 -17.050 -0.409 -2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.268 -0.676 -5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.664 -0.914 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.864 1.606 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.449 0.867 -5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.797 2.968 -3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.833 1.684 -3.240 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.308 1.892 -3.836 1.00 0.00 N ATOM 1102 CA GLN A 74 -13.949 2.188 -4.286 1.00 0.00 C ATOM 1103 C GLN A 74 -12.926 1.757 -3.231 1.00 0.00 C ATOM 1104 O GLN A 74 -11.935 1.111 -3.561 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.808 3.674 -4.656 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.405 3.924 -5.245 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.260 5.152 -6.141 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.158 5.987 -6.276 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.106 5.275 -6.774 1.00 0.00 N ATOM 0 H GLN A 74 -15.925 2.702 -3.782 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.746 1.612 -5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.574 3.954 -5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.960 4.296 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.698 4.016 -4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.112 3.045 -5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.377 4.572 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.944 6.073 -7.389 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.189 2.093 -1.965 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.366 1.688 -0.828 1.00 0.00 C ATOM 1120 C LEU A 75 -12.449 0.181 -0.632 1.00 0.00 C ATOM 1121 O LEU A 75 -11.452 -0.469 -0.322 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.883 2.363 0.455 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.778 3.897 0.446 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.542 4.453 1.643 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.316 4.342 0.492 1.00 0.00 C ATOM 0 H LEU A 75 -13.992 2.663 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.336 1.984 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.925 2.082 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.323 1.977 1.307 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.213 4.281 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.473 5.541 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.589 4.156 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.111 4.060 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.267 5.431 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.849 3.964 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.789 3.949 -0.377 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.660 -0.360 -0.774 1.00 0.00 N ATOM 1138 CA ASN A 76 -13.950 -1.769 -0.573 1.00 0.00 C ATOM 1139 C ASN A 76 -13.129 -2.618 -1.530 1.00 0.00 C ATOM 1140 O ASN A 76 -12.514 -3.584 -1.111 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.451 -2.013 -0.766 1.00 0.00 C ATOM 1142 CG ASN A 76 -15.980 -3.171 0.038 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -16.643 -4.057 -0.485 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -15.814 -3.147 1.339 1.00 0.00 N ATOM 0 H ASN A 76 -14.480 0.186 -1.038 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.678 -2.056 0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.996 -1.110 -0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.649 -2.194 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.239 -3.869 1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.260 -2.406 1.769 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.070 -2.231 -2.797 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.268 -2.853 -3.830 1.00 0.00 C ATOM 1153 C GLU A 77 -10.796 -2.886 -3.434 1.00 0.00 C ATOM 1154 O GLU A 77 -10.145 -3.914 -3.619 1.00 0.00 O ATOM 1155 CB GLU A 77 -12.470 -2.100 -5.140 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.738 -2.530 -5.868 1.00 0.00 C ATOM 1157 CD GLU A 77 -13.927 -1.766 -7.176 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.175 -2.043 -8.141 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -14.909 -0.998 -7.301 1.00 0.00 O ATOM 0 H GLU A 77 -13.607 -1.437 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.588 -3.887 -3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.516 -1.030 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.609 -2.265 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.694 -3.599 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.601 -2.366 -5.223 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.249 -1.802 -2.870 1.00 0.00 N ATOM 1167 CA LEU A 78 -8.831 -1.782 -2.522 1.00 0.00 C ATOM 1168 C LEU A 78 -8.469 -2.856 -1.503 1.00 0.00 C ATOM 1169 O LEU A 78 -7.356 -3.373 -1.573 1.00 0.00 O ATOM 1170 CB LEU A 78 -8.346 -0.416 -2.006 1.00 0.00 C ATOM 1171 CG LEU A 78 -7.751 0.597 -2.993 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -6.837 -0.037 -4.051 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.818 1.474 -3.638 1.00 0.00 C ATOM 0 H LEU A 78 -10.758 -0.946 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.318 -1.990 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.191 0.066 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.595 -0.605 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.114 1.241 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.454 0.739 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.004 -0.538 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.404 -0.763 -4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.346 2.174 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.523 0.847 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.349 2.029 -2.865 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.381 -3.212 -0.595 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.206 -4.306 0.357 1.00 0.00 C ATOM 1187 C ASP A 79 -8.851 -5.637 -0.321 1.00 0.00 C ATOM 1188 O ASP A 79 -7.970 -6.347 0.176 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.431 -4.401 1.292 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.948 -5.832 1.472 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.471 -6.530 2.384 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.814 -6.258 0.681 1.00 0.00 O ATOM 0 H ASP A 79 -10.279 -2.737 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.339 -4.078 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.167 -3.992 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.233 -3.780 0.893 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.458 -5.963 -1.466 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.081 -7.179 -2.189 1.00 0.00 C ATOM 1199 C ASN A 80 -7.923 -6.884 -3.125 1.00 0.00 C ATOM 1200 O ASN A 80 -7.010 -7.703 -3.204 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.244 -7.827 -2.948 1.00 0.00 C ATOM 1202 CG ASN A 80 -10.571 -7.190 -4.287 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -9.901 -7.448 -5.277 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -11.615 -6.393 -4.368 1.00 0.00 N ATOM 0 H ASN A 80 -10.198 -5.414 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.774 -7.909 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.011 -8.879 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.133 -7.791 -2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.874 -5.982 -5.265 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.165 -6.186 -3.534 1.00 0.00 H new ATOM 1211 N THR A 81 -7.920 -5.704 -3.750 1.00 0.00 N ATOM 1212 CA THR A 81 -6.938 -5.336 -4.759 1.00 0.00 C ATOM 1213 C THR A 81 -5.535 -5.544 -4.193 1.00 0.00 C ATOM 1214 O THR A 81 -4.730 -6.277 -4.769 1.00 0.00 O ATOM 1215 CB THR A 81 -7.128 -3.875 -5.218 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.446 -3.595 -5.645 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.201 -3.467 -6.363 1.00 0.00 C ATOM 0 H THR A 81 -8.608 -4.974 -3.564 1.00 0.00 H new ATOM 0 HA THR A 81 -7.076 -5.972 -5.633 1.00 0.00 H new ATOM 0 HB THR A 81 -6.887 -3.302 -4.322 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.074 -3.793 -4.919 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.391 -2.428 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.163 -3.576 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.387 -4.106 -7.227 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.264 -4.929 -3.037 1.00 0.00 N ATOM 1226 CA ILE A 82 -3.959 -4.978 -2.408 1.00 0.00 C ATOM 1227 C ILE A 82 -3.600 -6.401 -1.981 1.00 0.00 C ATOM 1228 O ILE A 82 -2.425 -6.763 -1.997 1.00 0.00 O ATOM 1229 CB ILE A 82 -3.923 -3.971 -1.235 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.506 -3.733 -0.689 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -4.781 -4.387 -0.032 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.567 -3.161 -1.742 1.00 0.00 C ATOM 0 H ILE A 82 -5.952 -4.384 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.194 -4.685 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.325 -3.063 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.556 -3.050 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.100 -4.674 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.704 -3.630 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.821 -4.483 -0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.428 -5.344 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.579 -3.011 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.493 -3.855 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.956 -2.206 -2.096 1.00 0.00 H new ATOM 1244 N SER A 83 -4.598 -7.198 -1.589 1.00 0.00 N ATOM 1245 CA SER A 83 -4.377 -8.494 -0.993 1.00 0.00 C ATOM 1246 C SER A 83 -3.705 -9.415 -2.004 1.00 0.00 C ATOM 1247 O SER A 83 -2.636 -9.956 -1.735 1.00 0.00 O ATOM 1248 CB SER A 83 -5.705 -9.023 -0.420 1.00 0.00 C ATOM 1249 OG SER A 83 -6.613 -9.532 -1.375 1.00 0.00 O ATOM 0 H SER A 83 -5.583 -6.950 -1.682 1.00 0.00 H new ATOM 0 HA SER A 83 -3.689 -8.434 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.483 -9.809 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.193 -8.216 0.127 1.00 0.00 H new ATOM 0 HG SER A 83 -6.639 -8.936 -2.152 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.311 -9.533 -3.183 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.877 -10.412 -4.250 1.00 0.00 C ATOM 1257 C GLU A 84 -2.481 -9.986 -4.720 1.00 0.00 C ATOM 1258 O GLU A 84 -1.604 -10.835 -4.859 1.00 0.00 O ATOM 1259 CB GLU A 84 -4.939 -10.336 -5.363 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.116 -11.651 -6.137 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.001 -12.674 -5.410 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -5.471 -13.467 -4.597 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -7.221 -12.745 -5.675 1.00 0.00 O ATOM 0 H GLU A 84 -5.146 -8.998 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.790 -11.449 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.895 -10.052 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.664 -9.547 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.551 -11.434 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.136 -12.093 -6.317 1.00 0.00 H new ATOM 1270 N MET A 85 -2.241 -8.671 -4.854 1.00 0.00 N ATOM 1271 CA MET A 85 -0.954 -8.118 -5.275 1.00 0.00 C ATOM 1272 C MET A 85 0.142 -8.522 -4.288 1.00 0.00 C ATOM 1273 O MET A 85 1.251 -8.876 -4.679 1.00 0.00 O ATOM 1274 CB MET A 85 -1.046 -6.587 -5.394 1.00 0.00 C ATOM 1275 CG MET A 85 -1.928 -6.156 -6.572 1.00 0.00 C ATOM 1276 SD MET A 85 -2.320 -4.378 -6.623 1.00 0.00 S ATOM 1277 CE MET A 85 -0.854 -3.772 -7.492 1.00 0.00 C ATOM 0 H MET A 85 -2.947 -7.958 -4.670 1.00 0.00 H new ATOM 0 HA MET A 85 -0.699 -8.522 -6.255 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.449 -6.175 -4.469 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.046 -6.172 -5.519 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.428 -6.430 -7.501 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.861 -6.718 -6.534 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.008 -2.734 -7.785 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.012 -3.838 -6.834 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.681 -4.378 -8.381 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.157 -8.482 -2.991 1.00 0.00 N ATOM 1288 CA LEU A 86 0.803 -8.770 -1.932 1.00 0.00 C ATOM 1289 C LEU A 86 0.988 -10.266 -1.718 1.00 0.00 C ATOM 1290 O LEU A 86 1.993 -10.671 -1.133 1.00 0.00 O ATOM 1291 CB LEU A 86 0.317 -8.103 -0.643 1.00 0.00 C ATOM 1292 CG LEU A 86 0.637 -6.597 -0.537 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.852 -6.412 0.378 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.917 -5.812 -1.831 1.00 0.00 C ATOM 0 H LEU A 86 -1.086 -8.245 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 86 1.775 -8.373 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.762 -8.238 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.765 -8.617 0.207 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.295 -6.178 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.087 -5.351 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.627 -6.811 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.707 -6.942 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.124 -4.770 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.779 -6.244 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.046 -5.865 -2.485 1.00 0.00 H new ATOM 1306 N LYS A 87 0.054 -11.098 -2.167 1.00 0.00 N ATOM 1307 CA LYS A 87 0.254 -12.531 -2.202 1.00 0.00 C ATOM 1308 C LYS A 87 1.159 -12.891 -3.375 1.00 0.00 C ATOM 1309 O LYS A 87 2.182 -13.538 -3.144 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.102 -13.238 -2.260 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.521 -13.806 -0.900 1.00 0.00 C ATOM 1312 CD LYS A 87 -2.016 -12.735 0.079 1.00 0.00 C ATOM 1313 CE LYS A 87 -2.903 -13.323 1.180 1.00 0.00 C ATOM 1314 NZ LYS A 87 -4.174 -13.840 0.631 1.00 0.00 N ATOM 0 H LYS A 87 -0.856 -10.794 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 87 0.753 -12.870 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.860 -12.536 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.057 -14.046 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.309 -14.544 -1.050 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.674 -14.330 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.160 -12.236 0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.574 -11.975 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.370 -14.127 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.112 -12.558 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.887 -13.883 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.508 -13.208 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.023 -14.793 0.244 1.00 0.00 H new ATOM 1328 N GLU A 88 0.809 -12.493 -4.605 1.00 0.00 N ATOM 1329 CA GLU A 88 1.600 -12.862 -5.775 1.00 0.00 C ATOM 1330 C GLU A 88 2.962 -12.155 -5.775 1.00 0.00 C ATOM 1331 O GLU A 88 3.917 -12.704 -6.321 1.00 0.00 O ATOM 1332 CB GLU A 88 0.792 -12.712 -7.085 1.00 0.00 C ATOM 1333 CG GLU A 88 0.537 -11.274 -7.564 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.407 -11.145 -8.783 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -0.824 -12.175 -9.372 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -0.693 -9.994 -9.188 1.00 0.00 O ATOM 0 H GLU A 88 -0.010 -11.921 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 88 1.832 -13.925 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.318 -13.248 -7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.171 -13.205 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.117 -10.701 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.494 -10.816 -7.815 1.00 0.00 H new ATOM 1343 N GLY A 89 3.092 -11.004 -5.108 1.00 0.00 N ATOM 1344 CA GLY A 89 4.345 -10.290 -4.938 1.00 0.00 C ATOM 1345 C GLY A 89 4.363 -9.055 -5.813 1.00 0.00 C ATOM 1346 O GLY A 89 4.619 -9.142 -7.013 1.00 0.00 O ATOM 0 H GLY A 89 2.302 -10.537 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.472 -10.007 -3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.181 -10.940 -5.196 1.00 0.00 H new ATOM 1350 N ALA A 90 4.065 -7.914 -5.199 1.00 0.00 N ATOM 1351 CA ALA A 90 3.945 -6.652 -5.894 1.00 0.00 C ATOM 1352 C ALA A 90 5.325 -6.132 -6.281 1.00 0.00 C ATOM 1353 O ALA A 90 6.218 -6.089 -5.432 1.00 0.00 O ATOM 1354 CB ALA A 90 3.211 -5.657 -5.005 1.00 0.00 C ATOM 0 H ALA A 90 3.900 -7.847 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 90 3.372 -6.789 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.118 -4.704 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.218 -6.041 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.771 -5.513 -4.081 1.00 0.00 H new ATOM 1360 N GLN A 91 5.478 -5.683 -7.525 1.00 0.00 N ATOM 1361 CA GLN A 91 6.654 -4.975 -7.998 1.00 0.00 C ATOM 1362 C GLN A 91 6.572 -3.592 -7.374 1.00 0.00 C ATOM 1363 O GLN A 91 5.548 -2.916 -7.515 1.00 0.00 O ATOM 1364 CB GLN A 91 6.631 -4.863 -9.533 1.00 0.00 C ATOM 1365 CG GLN A 91 7.014 -6.126 -10.321 1.00 0.00 C ATOM 1366 CD GLN A 91 6.606 -7.430 -9.652 1.00 0.00 C ATOM 1367 OE1 GLN A 91 7.297 -7.912 -8.761 1.00 0.00 O ATOM 1368 NE2 GLN A 91 5.501 -8.038 -10.043 1.00 0.00 N ATOM 0 H GLN A 91 4.767 -5.807 -8.246 1.00 0.00 H new ATOM 0 HA GLN A 91 7.573 -5.493 -7.725 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.629 -4.562 -9.838 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.308 -4.060 -9.826 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.553 -6.078 -11.308 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.093 -6.132 -10.473 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.931 -7.632 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.218 -8.914 -9.603 1.00 0.00 H new ATOM 1377 N VAL A 92 7.620 -3.188 -6.670 1.00 0.00 N ATOM 1378 CA VAL A 92 7.669 -1.954 -5.917 1.00 0.00 C ATOM 1379 C VAL A 92 8.841 -1.140 -6.438 1.00 0.00 C ATOM 1380 O VAL A 92 9.973 -1.616 -6.444 1.00 0.00 O ATOM 1381 CB VAL A 92 7.772 -2.297 -4.418 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.210 -1.087 -3.584 1.00 0.00 C ATOM 1383 CG2 VAL A 92 6.401 -2.746 -3.888 1.00 0.00 C ATOM 0 H VAL A 92 8.482 -3.730 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 92 6.770 -1.350 -6.039 1.00 0.00 H new ATOM 0 HB VAL A 92 8.514 -3.090 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.270 -1.372 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.188 -0.746 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.484 -0.282 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.482 -2.987 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.677 -1.942 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.070 -3.628 -4.436 1.00 0.00 H new ATOM 1393 N ASP A 93 8.566 0.106 -6.813 1.00 0.00 N ATOM 1394 CA ASP A 93 9.561 1.049 -7.290 1.00 0.00 C ATOM 1395 C ASP A 93 9.275 2.384 -6.593 1.00 0.00 C ATOM 1396 O ASP A 93 8.550 3.243 -7.099 1.00 0.00 O ATOM 1397 CB ASP A 93 9.521 1.094 -8.828 1.00 0.00 C ATOM 1398 CG ASP A 93 10.927 1.137 -9.422 1.00 0.00 C ATOM 1399 OD1 ASP A 93 11.446 2.267 -9.590 1.00 0.00 O ATOM 1400 OD2 ASP A 93 11.518 0.066 -9.701 1.00 0.00 O ATOM 0 H ASP A 93 7.622 0.492 -6.791 1.00 0.00 H new ATOM 0 HA ASP A 93 10.584 0.764 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.992 0.219 -9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.960 1.970 -9.153 1.00 0.00 H new ATOM 1405 N LEU A 94 9.728 2.524 -5.342 1.00 0.00 N ATOM 1406 CA LEU A 94 9.642 3.790 -4.612 1.00 0.00 C ATOM 1407 C LEU A 94 10.847 4.620 -5.000 1.00 0.00 C ATOM 1408 O LEU A 94 11.963 4.365 -4.549 1.00 0.00 O ATOM 1409 CB LEU A 94 9.493 3.613 -3.093 1.00 0.00 C ATOM 1410 CG LEU A 94 9.370 4.902 -2.245 1.00 0.00 C ATOM 1411 CD1 LEU A 94 10.717 5.434 -1.742 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.547 6.037 -2.868 1.00 0.00 C ATOM 0 H LEU A 94 10.161 1.768 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 94 8.727 4.311 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.611 3.000 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.354 3.050 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 94 8.793 4.554 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.555 6.338 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.197 4.679 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.358 5.664 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.528 6.889 -2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.999 6.337 -3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.528 5.692 -3.046 1.00 0.00 H new ATOM 1424 N THR A 95 10.582 5.583 -5.866 1.00 0.00 N ATOM 1425 CA THR A 95 11.549 6.537 -6.374 1.00 0.00 C ATOM 1426 C THR A 95 11.693 7.667 -5.348 1.00 0.00 C ATOM 1427 O THR A 95 10.993 7.687 -4.331 1.00 0.00 O ATOM 1428 CB THR A 95 11.106 7.014 -7.778 1.00 0.00 C ATOM 1429 OG1 THR A 95 10.432 5.990 -8.498 1.00 0.00 O ATOM 1430 CG2 THR A 95 12.305 7.394 -8.652 1.00 0.00 C ATOM 0 H THR A 95 9.648 5.726 -6.249 1.00 0.00 H new ATOM 0 HA THR A 95 12.536 6.092 -6.503 1.00 0.00 H new ATOM 0 HB THR A 95 10.455 7.868 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.167 6.329 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.953 7.724 -9.629 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.861 8.201 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.955 6.528 -8.774 1.00 0.00 H new ATOM 1438 N ALA A 96 12.577 8.628 -5.609 1.00 0.00 N ATOM 1439 CA ALA A 96 12.933 9.696 -4.686 1.00 0.00 C ATOM 1440 C ALA A 96 11.735 10.484 -4.126 1.00 0.00 C ATOM 1441 O ALA A 96 11.876 11.087 -3.062 1.00 0.00 O ATOM 1442 CB ALA A 96 13.930 10.627 -5.373 1.00 0.00 C ATOM 0 H ALA A 96 13.078 8.684 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 96 13.382 9.225 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.205 11.432 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.822 10.065 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 96 13.475 11.049 -6.269 1.00 0.00 H new ATOM 1448 N ASN A 97 10.556 10.460 -4.767 1.00 0.00 N ATOM 1449 CA ASN A 97 9.309 10.821 -4.083 1.00 0.00 C ATOM 1450 C ASN A 97 8.044 10.074 -4.524 1.00 0.00 C ATOM 1451 O ASN A 97 7.052 10.156 -3.794 1.00 0.00 O ATOM 1452 CB ASN A 97 9.074 12.339 -4.079 1.00 0.00 C ATOM 1453 CG ASN A 97 9.175 12.991 -5.447 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.433 12.677 -6.375 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.089 13.926 -5.609 1.00 0.00 N ATOM 0 H ASN A 97 10.442 10.197 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 97 9.482 10.475 -3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.086 12.541 -3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.800 12.805 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.185 14.395 -6.510 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.701 14.181 -4.834 1.00 0.00 H new ATOM 1462 N GLN A 98 8.023 9.289 -5.609 1.00 0.00 N ATOM 1463 CA GLN A 98 6.808 8.594 -6.058 1.00 0.00 C ATOM 1464 C GLN A 98 6.947 7.075 -5.910 1.00 0.00 C ATOM 1465 O GLN A 98 7.923 6.498 -6.388 1.00 0.00 O ATOM 1466 CB GLN A 98 6.501 8.969 -7.509 1.00 0.00 C ATOM 1467 CG GLN A 98 5.051 8.618 -7.878 1.00 0.00 C ATOM 1468 CD GLN A 98 4.878 8.566 -9.385 1.00 0.00 C ATOM 1469 OE1 GLN A 98 4.337 9.482 -10.003 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.354 7.511 -10.016 1.00 0.00 N ATOM 0 H GLN A 98 8.839 9.118 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 98 5.979 8.910 -5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.668 10.036 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 98 7.186 8.445 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.783 7.655 -7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.373 9.359 -7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.800 6.760 -9.489 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.277 7.446 -11.031 1.00 0.00 H new ATOM 1479 N LEU A 99 5.966 6.430 -5.268 1.00 0.00 N ATOM 1480 CA LEU A 99 5.820 4.983 -5.204 1.00 0.00 C ATOM 1481 C LEU A 99 5.090 4.533 -6.464 1.00 0.00 C ATOM 1482 O LEU A 99 3.960 4.971 -6.700 1.00 0.00 O ATOM 1483 CB LEU A 99 5.011 4.564 -3.956 1.00 0.00 C ATOM 1484 CG LEU A 99 5.565 3.387 -3.134 1.00 0.00 C ATOM 1485 CD1 LEU A 99 4.522 2.920 -2.102 1.00 0.00 C ATOM 1486 CD2 LEU A 99 5.997 2.216 -4.015 1.00 0.00 C ATOM 0 H LEU A 99 5.230 6.924 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 99 6.803 4.517 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.929 5.429 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.000 4.309 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 99 6.454 3.746 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.927 2.087 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.283 3.743 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.617 2.599 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.380 1.411 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.141 1.855 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.778 2.545 -4.701 1.00 0.00 H new ATOM 1498 N THR A 100 5.698 3.637 -7.229 1.00 0.00 N ATOM 1499 CA THR A 100 5.091 2.965 -8.362 1.00 0.00 C ATOM 1500 C THR A 100 4.895 1.503 -7.969 1.00 0.00 C ATOM 1501 O THR A 100 5.832 0.861 -7.488 1.00 0.00 O ATOM 1502 CB THR A 100 6.006 3.180 -9.579 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.830 4.515 -10.025 1.00 0.00 O ATOM 1504 CG2 THR A 100 5.753 2.229 -10.751 1.00 0.00 C ATOM 0 H THR A 100 6.664 3.350 -7.069 1.00 0.00 H new ATOM 0 HA THR A 100 4.112 3.357 -8.635 1.00 0.00 H new ATOM 0 HB THR A 100 7.023 2.973 -9.247 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.405 4.679 -10.801 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.446 2.458 -11.561 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.904 1.200 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.729 2.351 -11.104 1.00 0.00 H new ATOM 1512 N LEU A 101 3.669 1.000 -8.136 1.00 0.00 N ATOM 1513 CA LEU A 101 3.302 -0.397 -7.977 1.00 0.00 C ATOM 1514 C LEU A 101 2.874 -0.949 -9.320 1.00 0.00 C ATOM 1515 O LEU A 101 2.128 -0.274 -10.033 1.00 0.00 O ATOM 1516 CB LEU A 101 2.088 -0.495 -7.043 1.00 0.00 C ATOM 1517 CG LEU A 101 2.412 -0.740 -5.577 1.00 0.00 C ATOM 1518 CD1 LEU A 101 2.813 -2.198 -5.355 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.495 0.162 -5.019 1.00 0.00 C ATOM 0 H LEU A 101 2.876 1.586 -8.397 1.00 0.00 H new ATOM 0 HA LEU A 101 4.152 -0.949 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.515 0.429 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.444 -1.301 -7.395 1.00 0.00 H new ATOM 0 HG LEU A 101 1.496 -0.503 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.041 -2.356 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.991 -2.850 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.693 -2.429 -5.956 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.664 -0.079 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.418 0.012 -5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.183 1.203 -5.107 1.00 0.00 H new ATOM 1531 N ALA A 102 3.219 -2.206 -9.581 1.00 0.00 N ATOM 1532 CA ALA A 102 2.610 -3.042 -10.605 1.00 0.00 C ATOM 1533 C ALA A 102 2.566 -4.481 -10.091 1.00 0.00 C ATOM 1534 O ALA A 102 3.281 -4.836 -9.149 1.00 0.00 O ATOM 1535 CB ALA A 102 3.429 -2.938 -11.896 1.00 0.00 C ATOM 0 H ALA A 102 3.957 -2.686 -9.066 1.00 0.00 H new ATOM 0 HA ALA A 102 1.594 -2.713 -10.822 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.976 -3.563 -12.666 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.446 -1.902 -12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.448 -3.275 -11.708 1.00 0.00 H new ATOM 1541 N THR A 103 1.709 -5.326 -10.651 1.00 0.00 N ATOM 1542 CA THR A 103 1.655 -6.753 -10.441 1.00 0.00 C ATOM 1543 C THR A 103 0.878 -7.376 -11.610 1.00 0.00 C ATOM 1544 O THR A 103 0.321 -6.654 -12.450 1.00 0.00 O ATOM 1545 CB THR A 103 1.000 -7.067 -9.078 1.00 0.00 C ATOM 1546 OG1 THR A 103 1.121 -6.038 -8.114 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.757 -8.232 -8.492 1.00 0.00 C ATOM 0 H THR A 103 0.993 -5.005 -11.302 1.00 0.00 H new ATOM 0 HA THR A 103 2.658 -7.179 -10.414 1.00 0.00 H new ATOM 0 HB THR A 103 -0.059 -7.232 -9.274 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.045 -5.711 -8.099 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.330 -8.493 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.684 -9.088 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.804 -7.958 -8.365 1.00 0.00 H new ATOM 1555 N ALA A 104 0.801 -8.710 -11.667 1.00 0.00 N ATOM 1556 CA ALA A 104 0.027 -9.405 -12.686 1.00 0.00 C ATOM 1557 C ALA A 104 -1.464 -9.065 -12.591 1.00 0.00 C ATOM 1558 O ALA A 104 -2.157 -9.025 -13.612 1.00 0.00 O ATOM 1559 CB ALA A 104 0.293 -10.907 -12.615 1.00 0.00 C ATOM 0 H ALA A 104 1.273 -9.330 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 104 0.352 -9.060 -13.668 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.291 -11.417 -13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 104 1.353 -11.097 -12.781 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.007 -11.281 -11.632 1.00 0.00 H new ATOM 1565 N LYS A 105 -1.952 -8.740 -11.390 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.257 -8.139 -11.192 1.00 0.00 C ATOM 1567 C LYS A 105 -3.253 -6.712 -11.724 1.00 0.00 C ATOM 1568 O LYS A 105 -3.694 -6.468 -12.844 1.00 0.00 O ATOM 1569 CB LYS A 105 -3.620 -8.210 -9.701 1.00 0.00 C ATOM 1570 CG LYS A 105 -4.219 -9.575 -9.331 1.00 0.00 C ATOM 1571 CD LYS A 105 -5.752 -9.569 -9.483 1.00 0.00 C ATOM 1572 CE LYS A 105 -6.321 -10.974 -9.710 1.00 0.00 C ATOM 1573 NZ LYS A 105 -6.166 -11.411 -11.112 1.00 0.00 N ATOM 0 H LYS A 105 -1.438 -8.892 -10.522 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.020 -8.685 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.729 -8.027 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.333 -7.422 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.791 -10.348 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.954 -9.826 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.202 -9.138 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.029 -8.928 -10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.816 -11.681 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.377 -10.986 -9.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.563 -12.366 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.669 -10.751 -11.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.157 -11.425 -11.362 1.00 0.00 H new ATOM 1587 N GLN A 106 -2.811 -5.749 -10.924 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.148 -4.338 -11.093 1.00 0.00 C ATOM 1589 C GLN A 106 -1.920 -3.482 -10.778 1.00 0.00 C ATOM 1590 O GLN A 106 -0.798 -3.979 -10.701 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.422 -4.013 -10.269 1.00 0.00 C ATOM 1592 CG GLN A 106 -5.683 -4.304 -11.109 1.00 0.00 C ATOM 1593 CD GLN A 106 -6.971 -4.373 -10.297 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.619 -5.414 -10.255 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.399 -3.290 -9.670 1.00 0.00 N ATOM 0 H GLN A 106 -2.199 -5.928 -10.128 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.405 -4.099 -12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.437 -4.610 -9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.411 -2.966 -9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.787 -3.530 -11.869 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.546 -5.249 -11.634 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.854 -2.429 -9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.274 -3.316 -9.146 1.00 0.00 H new ATOM 1604 N THR A 107 -2.109 -2.173 -10.681 1.00 0.00 N ATOM 1605 CA THR A 107 -1.059 -1.175 -10.620 1.00 0.00 C ATOM 1606 C THR A 107 -1.615 -0.017 -9.786 1.00 0.00 C ATOM 1607 O THR A 107 -2.829 0.197 -9.774 1.00 0.00 O ATOM 1608 CB THR A 107 -0.627 -0.824 -12.061 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.136 0.348 -12.069 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.775 -0.592 -13.046 1.00 0.00 C ATOM 0 H THR A 107 -3.042 -1.763 -10.641 1.00 0.00 H new ATOM 0 HA THR A 107 -0.143 -1.509 -10.132 1.00 0.00 H new ATOM 0 HB THR A 107 -0.069 -1.702 -12.387 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.849 0.279 -11.400 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.369 -0.352 -14.028 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.383 -1.494 -13.115 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.392 0.236 -12.697 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.773 0.683 -9.028 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.177 1.779 -8.143 1.00 0.00 C ATOM 1620 C LEU A 108 -0.060 2.823 -8.159 1.00 0.00 C ATOM 1621 O LEU A 108 1.087 2.500 -8.478 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.403 1.286 -6.692 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.411 0.134 -6.479 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -2.286 -0.426 -5.058 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.862 0.573 -6.697 1.00 0.00 C ATOM 0 H LEU A 108 0.231 0.502 -9.010 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.119 2.199 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.440 0.969 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.733 2.136 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.167 -0.628 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.002 -1.237 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.276 -0.805 -4.904 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.492 0.364 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.527 -0.275 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.111 1.369 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.982 0.938 -7.717 1.00 0.00 H new ATOM 1637 N THR A 109 -0.362 4.055 -7.756 1.00 0.00 N ATOM 1638 CA THR A 109 0.635 5.088 -7.511 1.00 0.00 C ATOM 1639 C THR A 109 0.306 5.739 -6.167 1.00 0.00 C ATOM 1640 O THR A 109 -0.856 6.048 -5.882 1.00 0.00 O ATOM 1641 CB THR A 109 0.666 6.078 -8.689 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.915 5.373 -9.893 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.757 7.135 -8.537 1.00 0.00 C ATOM 0 H THR A 109 -1.319 4.365 -7.589 1.00 0.00 H new ATOM 0 HA THR A 109 1.642 4.676 -7.448 1.00 0.00 H new ATOM 0 HB THR A 109 -0.303 6.577 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.933 6.003 -10.643 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.734 7.807 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.586 7.706 -7.624 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.731 6.648 -8.483 1.00 0.00 H new ATOM 1651 N TYR A 110 1.328 5.920 -5.330 1.00 0.00 N ATOM 1652 CA TYR A 110 1.213 6.546 -4.019 1.00 0.00 C ATOM 1653 C TYR A 110 2.074 7.810 -3.994 1.00 0.00 C ATOM 1654 O TYR A 110 2.736 8.145 -4.982 1.00 0.00 O ATOM 1655 CB TYR A 110 1.630 5.575 -2.901 1.00 0.00 C ATOM 1656 CG TYR A 110 0.777 4.342 -2.656 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.728 3.295 -3.598 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.114 4.193 -1.421 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.005 2.123 -3.315 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.619 3.030 -1.135 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.668 1.984 -2.082 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.336 0.834 -1.804 1.00 0.00 O ATOM 0 H TYR A 110 2.279 5.628 -5.553 1.00 0.00 H new ATOM 0 HA TYR A 110 0.172 6.813 -3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.645 5.239 -3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.671 6.140 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.247 3.393 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.170 4.983 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.036 1.327 -4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.143 2.936 -0.195 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.328 0.676 -0.837 1.00 0.00 H new ATOM 1672 N LYS A 111 2.062 8.520 -2.864 1.00 0.00 N ATOM 1673 CA LYS A 111 2.853 9.723 -2.656 1.00 0.00 C ATOM 1674 C LYS A 111 3.444 9.748 -1.253 1.00 0.00 C ATOM 1675 O LYS A 111 2.717 9.432 -0.315 1.00 0.00 O ATOM 1676 CB LYS A 111 1.936 10.930 -2.866 1.00 0.00 C ATOM 1677 CG LYS A 111 2.606 12.032 -3.697 1.00 0.00 C ATOM 1678 CD LYS A 111 2.946 11.654 -5.153 1.00 0.00 C ATOM 1679 CE LYS A 111 1.671 11.343 -5.954 1.00 0.00 C ATOM 1680 NZ LYS A 111 1.874 11.223 -7.416 1.00 0.00 N ATOM 0 H LYS A 111 1.491 8.266 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 111 3.684 9.747 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.022 10.607 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.644 11.335 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.950 12.902 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.525 12.333 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.487 12.472 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.606 10.787 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.243 10.412 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.939 12.128 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.954 11.268 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.478 12.002 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.333 10.314 -7.629 1.00 0.00 H new ATOM 1694 N LEU A 112 4.705 10.170 -1.121 1.00 0.00 N ATOM 1695 CA LEU A 112 5.533 10.394 0.072 1.00 0.00 C ATOM 1696 C LEU A 112 4.982 11.449 1.055 1.00 0.00 C ATOM 1697 O LEU A 112 5.733 12.016 1.841 1.00 0.00 O ATOM 1698 CB LEU A 112 6.931 10.776 -0.474 1.00 0.00 C ATOM 1699 CG LEU A 112 8.095 10.945 0.524 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.247 9.747 1.464 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.393 11.096 -0.288 1.00 0.00 C ATOM 0 H LEU A 112 5.241 10.392 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 112 5.554 9.492 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.223 10.014 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.827 11.712 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 112 7.888 11.819 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.081 9.921 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.331 9.618 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.438 8.847 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.236 11.218 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.545 10.206 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.319 11.971 -0.933 1.00 0.00 H new ATOM 1713 N ALA A 113 3.691 11.778 1.004 1.00 0.00 N ATOM 1714 CA ALA A 113 3.087 12.762 1.895 1.00 0.00 C ATOM 1715 C ALA A 113 3.058 12.250 3.348 1.00 0.00 C ATOM 1716 O ALA A 113 2.046 11.724 3.816 1.00 0.00 O ATOM 1717 CB ALA A 113 1.684 13.110 1.388 1.00 0.00 C ATOM 0 H ALA A 113 3.035 11.367 0.340 1.00 0.00 H new ATOM 0 HA ALA A 113 3.692 13.669 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.229 13.845 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.753 13.523 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.070 12.210 1.369 1.00 0.00 H new ATOM 1723 N ASP A 114 4.155 12.429 4.086 1.00 0.00 N ATOM 1724 CA ASP A 114 4.330 11.940 5.461 1.00 0.00 C ATOM 1725 C ASP A 114 3.930 13.010 6.471 1.00 0.00 C ATOM 1726 O ASP A 114 4.533 13.192 7.528 1.00 0.00 O ATOM 1727 CB ASP A 114 5.759 11.446 5.696 1.00 0.00 C ATOM 1728 CG ASP A 114 5.893 10.502 6.902 1.00 0.00 C ATOM 1729 OD1 ASP A 114 5.003 10.400 7.780 1.00 0.00 O ATOM 1730 OD2 ASP A 114 6.896 9.752 6.910 1.00 0.00 O ATOM 0 H ASP A 114 4.971 12.932 3.737 1.00 0.00 H new ATOM 0 HA ASP A 114 3.667 11.087 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.108 10.931 4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.412 12.306 5.844 1.00 0.00 H new