USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 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 X(o=0,f=0) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 MET CE :methyl 168:sc= -1.32 (180deg=-1.82!) USER MOD Set 2.2: A 103 THR OG1 : rot -130:sc= -0.011 USER MOD Set 3.1: A 45 ASN : amide:sc= 1.23 K(o=1.1,f=-5.7!) USER MOD Set 3.2: A 66 THR OG1 : rot 149:sc= -0.09 USER MOD Set 4.1: A 43 MET CE :methyl 168:sc= -0.685 (180deg=-0.858) USER MOD Set 4.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 3 THR OG1 : rot -72:sc= 1.17 USER MOD Set 5.2: A 6 GLN : amide:sc= 0.911 K(o=2.1,f=-0.68!) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.227 (180deg=-0.732) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0235 (180deg=-0.0235) USER MOD Single : A 8 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.6!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.311 K(o=-0.31,f=-2.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 49:sc= 0.00104 USER MOD Single : A 24 SER OG : rot 44:sc= 0.0985 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.0122 X(o=0.012,f=-0.0016) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00418 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -155:sc= -0.511 (180deg=-2.69) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0614 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= -0.158 K(o=-0.16,f=-1.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -152:sc= -0.551 (180deg=-1.8!) USER MOD Single : A 68 MET CE :methyl -179:sc= 0 (180deg=-0.00277) USER MOD Single : A 69 MET CE :methyl 176:sc= -0.636 (180deg=-0.694) USER MOD Single : A 72 ASN : amide:sc= -1.08 K(o=-1.1,f=-5.8!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 76 ASN : amide:sc=-0.00283 X(o=-0.0028,f=0.22) USER MOD Single : A 80 ASN : amide:sc= -0.0204 X(o=-0.02,f=-0.35) USER MOD Single : A 81 THR OG1 : rot 84:sc= 0.275 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00377 USER MOD Single : A 97 ASN : amide:sc= -0.0542 K(o=-0.054,f=-2!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 41:sc= 0.356 USER MOD Single : A 109 THR OG1 : rot 180:sc=-0.000948 USER MOD Single : A 111 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.456 1.513 -7.098 1.00 0.00 N ATOM 2 CA MET A 1 15.424 0.172 -6.525 1.00 0.00 C ATOM 3 C MET A 1 15.032 0.157 -5.042 1.00 0.00 C ATOM 4 O MET A 1 15.415 -0.749 -4.303 1.00 0.00 O ATOM 5 CB MET A 1 16.742 -0.570 -6.773 1.00 0.00 C ATOM 6 CG MET A 1 16.430 -2.070 -6.765 1.00 0.00 C ATOM 7 SD MET A 1 17.844 -3.190 -6.725 1.00 0.00 S ATOM 8 CE MET A 1 17.916 -3.358 -4.931 1.00 0.00 C ATOM 0 H1 MET A 1 15.727 1.456 -8.100 1.00 0.00 H new ATOM 0 H2 MET A 1 14.514 1.947 -7.018 1.00 0.00 H new ATOM 0 H3 MET A 1 16.150 2.093 -6.585 1.00 0.00 H new ATOM 0 HA MET A 1 14.632 -0.366 -7.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.176 -0.273 -7.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.472 -0.325 -6.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.803 -2.283 -5.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.839 -2.300 -7.651 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.439 -4.279 -4.672 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.448 -2.507 -4.507 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.904 -3.390 -4.528 1.00 0.00 H new ATOM 18 N VAL A 2 14.290 1.179 -4.614 1.00 0.00 N ATOM 19 CA VAL A 2 13.257 1.084 -3.591 1.00 0.00 C ATOM 20 C VAL A 2 13.718 0.222 -2.418 1.00 0.00 C ATOM 21 O VAL A 2 13.265 -0.909 -2.247 1.00 0.00 O ATOM 22 CB VAL A 2 11.920 0.695 -4.247 1.00 0.00 C ATOM 23 CG1 VAL A 2 11.924 -0.591 -5.074 1.00 0.00 C ATOM 24 CG2 VAL A 2 10.788 0.635 -3.219 1.00 0.00 C ATOM 0 H VAL A 2 14.397 2.124 -4.983 1.00 0.00 H new ATOM 0 HA VAL A 2 13.074 2.053 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 2 11.751 1.500 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.929 -0.762 -5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.643 -0.498 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.203 -1.431 -4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.859 0.358 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.027 -0.107 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.671 1.612 -2.750 1.00 0.00 H new ATOM 34 N THR A 3 14.712 0.689 -1.672 1.00 0.00 N ATOM 35 CA THR A 3 15.347 -0.221 -0.732 1.00 0.00 C ATOM 36 C THR A 3 14.471 -0.334 0.522 1.00 0.00 C ATOM 37 O THR A 3 13.652 0.544 0.783 1.00 0.00 O ATOM 38 CB THR A 3 16.799 0.183 -0.451 1.00 0.00 C ATOM 39 OG1 THR A 3 16.934 1.481 0.082 1.00 0.00 O ATOM 40 CG2 THR A 3 17.640 0.052 -1.721 1.00 0.00 C ATOM 0 H THR A 3 15.080 1.640 -1.695 1.00 0.00 H new ATOM 0 HA THR A 3 15.421 -1.218 -1.165 1.00 0.00 H new ATOM 0 HB THR A 3 17.161 -0.504 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 3 16.743 2.142 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.669 0.342 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.618 -0.982 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.233 0.702 -2.496 1.00 0.00 H new ATOM 48 N PRO A 4 14.646 -1.369 1.354 1.00 0.00 N ATOM 49 CA PRO A 4 13.922 -1.484 2.618 1.00 0.00 C ATOM 50 C PRO A 4 14.087 -0.247 3.507 1.00 0.00 C ATOM 51 O PRO A 4 13.136 0.218 4.143 1.00 0.00 O ATOM 52 CB PRO A 4 14.493 -2.747 3.271 1.00 0.00 C ATOM 53 CG PRO A 4 15.797 -3.033 2.529 1.00 0.00 C ATOM 54 CD PRO A 4 15.484 -2.534 1.133 1.00 0.00 C ATOM 0 HA PRO A 4 12.845 -1.552 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.672 -2.593 4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.799 -3.583 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.642 -2.505 2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.046 -4.094 2.536 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.392 -2.274 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.966 -3.292 0.545 1.00 0.00 H new ATOM 62 N GLU A 5 15.314 0.259 3.567 1.00 0.00 N ATOM 63 CA GLU A 5 15.743 1.376 4.403 1.00 0.00 C ATOM 64 C GLU A 5 14.827 2.590 4.232 1.00 0.00 C ATOM 65 O GLU A 5 14.139 2.988 5.171 1.00 0.00 O ATOM 66 CB GLU A 5 17.214 1.697 4.096 1.00 0.00 C ATOM 67 CG GLU A 5 17.945 2.082 5.395 1.00 0.00 C ATOM 68 CD GLU A 5 17.837 3.558 5.822 1.00 0.00 C ATOM 69 OE1 GLU A 5 17.095 4.346 5.195 1.00 0.00 O ATOM 70 OE2 GLU A 5 18.522 3.940 6.801 1.00 0.00 O ATOM 0 H GLU A 5 16.077 -0.118 3.004 1.00 0.00 H new ATOM 0 HA GLU A 5 15.666 1.095 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.697 0.833 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.275 2.514 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.557 1.462 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.000 1.834 5.281 1.00 0.00 H new ATOM 77 N GLN A 6 14.756 3.105 3.003 1.00 0.00 N ATOM 78 CA GLN A 6 14.000 4.282 2.577 1.00 0.00 C ATOM 79 C GLN A 6 12.472 4.121 2.674 1.00 0.00 C ATOM 80 O GLN A 6 11.744 4.902 2.065 1.00 0.00 O ATOM 81 CB GLN A 6 14.485 4.682 1.166 1.00 0.00 C ATOM 82 CG GLN A 6 14.236 3.612 0.104 1.00 0.00 C ATOM 83 CD GLN A 6 14.909 3.929 -1.222 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.945 3.353 -1.558 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.322 4.788 -2.025 1.00 0.00 N ATOM 0 H GLN A 6 15.261 2.680 2.225 1.00 0.00 H new ATOM 0 HA GLN A 6 14.202 5.094 3.275 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.983 5.602 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.552 4.900 1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.600 2.652 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 6 13.163 3.507 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.465 5.257 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.724 4.986 -2.941 1.00 0.00 H new ATOM 94 N LEU A 7 11.973 3.113 3.399 1.00 0.00 N ATOM 95 CA LEU A 7 10.564 2.736 3.464 1.00 0.00 C ATOM 96 C LEU A 7 10.122 2.499 4.901 1.00 0.00 C ATOM 97 O LEU A 7 9.104 3.053 5.310 1.00 0.00 O ATOM 98 CB LEU A 7 10.303 1.480 2.623 1.00 0.00 C ATOM 99 CG LEU A 7 10.636 1.718 1.124 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.652 0.410 0.341 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.687 2.691 0.405 1.00 0.00 C ATOM 0 H LEU A 7 12.566 2.517 3.977 1.00 0.00 H new ATOM 0 HA LEU A 7 9.981 3.563 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.905 0.655 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.258 1.185 2.722 1.00 0.00 H new ATOM 0 HG LEU A 7 11.626 2.174 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.888 0.614 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.406 -0.256 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.673 -0.065 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.994 2.797 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.669 2.303 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.724 3.664 0.895 1.00 0.00 H new ATOM 113 N GLN A 8 10.881 1.728 5.688 1.00 0.00 N ATOM 114 CA GLN A 8 10.587 1.398 7.087 1.00 0.00 C ATOM 115 C GLN A 8 10.433 2.602 8.040 1.00 0.00 C ATOM 116 O GLN A 8 10.089 2.407 9.203 1.00 0.00 O ATOM 117 CB GLN A 8 11.687 0.451 7.584 1.00 0.00 C ATOM 118 CG GLN A 8 11.547 -0.934 6.922 1.00 0.00 C ATOM 119 CD GLN A 8 12.819 -1.760 7.006 1.00 0.00 C ATOM 120 OE1 GLN A 8 12.847 -2.877 7.522 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.869 -1.224 6.417 1.00 0.00 N ATOM 0 H GLN A 8 11.747 1.302 5.357 1.00 0.00 H new ATOM 0 HA GLN A 8 9.602 0.931 7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.667 0.872 7.357 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.626 0.350 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.733 -1.479 7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.272 -0.805 5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.802 -0.295 6.002 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.749 -1.738 6.376 1.00 0.00 H new ATOM 130 N HIS A 9 10.651 3.833 7.579 1.00 0.00 N ATOM 131 CA HIS A 9 10.424 5.060 8.346 1.00 0.00 C ATOM 132 C HIS A 9 9.658 6.126 7.544 1.00 0.00 C ATOM 133 O HIS A 9 9.629 7.292 7.953 1.00 0.00 O ATOM 134 CB HIS A 9 11.760 5.561 8.933 1.00 0.00 C ATOM 135 CG HIS A 9 11.958 5.083 10.351 1.00 0.00 C ATOM 136 ND1 HIS A 9 11.377 5.639 11.472 1.00 0.00 N ATOM 137 CD2 HIS A 9 12.650 3.971 10.750 1.00 0.00 C ATOM 138 CE1 HIS A 9 11.713 4.879 12.527 1.00 0.00 C ATOM 139 NE2 HIS A 9 12.504 3.868 12.140 1.00 0.00 N ATOM 0 H HIS A 9 11.000 4.010 6.637 1.00 0.00 H new ATOM 0 HA HIS A 9 9.765 4.833 9.184 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.585 5.211 8.312 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.783 6.651 8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.205 3.299 10.112 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.392 5.057 13.543 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.921 3.158 12.743 1.00 0.00 H new ATOM 147 N HIS A 10 9.024 5.750 6.425 1.00 0.00 N ATOM 148 CA HIS A 10 8.449 6.660 5.439 1.00 0.00 C ATOM 149 C HIS A 10 7.004 6.238 5.117 1.00 0.00 C ATOM 150 O HIS A 10 6.786 5.186 4.509 1.00 0.00 O ATOM 151 CB HIS A 10 9.358 6.688 4.196 1.00 0.00 C ATOM 152 CG HIS A 10 10.777 7.145 4.479 1.00 0.00 C ATOM 153 ND1 HIS A 10 11.300 8.399 4.243 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.785 6.383 5.014 1.00 0.00 C ATOM 155 CE1 HIS A 10 12.586 8.386 4.631 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.927 7.183 5.126 1.00 0.00 N ATOM 0 H HIS A 10 8.896 4.769 6.178 1.00 0.00 H new ATOM 0 HA HIS A 10 8.397 7.675 5.832 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.389 5.690 3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.916 7.349 3.450 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.710 5.344 5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.257 9.229 4.555 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.833 6.910 5.506 1.00 0.00 H new ATOM 164 N ARG A 11 6.012 7.029 5.547 1.00 0.00 N ATOM 165 CA ARG A 11 4.582 6.839 5.246 1.00 0.00 C ATOM 166 C ARG A 11 4.302 7.098 3.775 1.00 0.00 C ATOM 167 O ARG A 11 4.942 7.956 3.164 1.00 0.00 O ATOM 168 CB ARG A 11 3.761 7.837 6.075 1.00 0.00 C ATOM 169 CG ARG A 11 2.239 7.860 5.843 1.00 0.00 C ATOM 170 CD ARG A 11 1.647 8.941 6.760 1.00 0.00 C ATOM 171 NE ARG A 11 0.174 8.892 6.859 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.521 9.204 7.958 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.090 9.773 8.995 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.822 8.948 8.042 1.00 0.00 N ATOM 0 H ARG A 11 6.186 7.846 6.133 1.00 0.00 H new ATOM 0 HA ARG A 11 4.310 5.812 5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.939 7.627 7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.148 8.837 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.014 8.078 4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.803 6.887 6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.073 8.833 7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.945 9.922 6.390 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.349 8.600 6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.090 9.972 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.441 10.010 9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.306 8.507 7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.336 9.193 8.888 1.00 0.00 H new ATOM 188 N PHE A 12 3.283 6.424 3.235 1.00 0.00 N ATOM 189 CA PHE A 12 2.750 6.722 1.919 1.00 0.00 C ATOM 190 C PHE A 12 1.220 6.701 1.976 1.00 0.00 C ATOM 191 O PHE A 12 0.614 6.046 2.822 1.00 0.00 O ATOM 192 CB PHE A 12 3.285 5.712 0.889 1.00 0.00 C ATOM 193 CG PHE A 12 4.721 5.906 0.432 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.789 5.688 1.320 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.007 6.218 -0.910 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.120 5.850 0.904 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.342 6.295 -1.342 1.00 0.00 C ATOM 198 CZ PHE A 12 7.400 6.139 -0.435 1.00 0.00 C ATOM 0 H PHE A 12 2.808 5.654 3.707 1.00 0.00 H new ATOM 0 HA PHE A 12 3.072 7.715 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.194 4.712 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.640 5.746 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.582 5.391 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.202 6.398 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.926 5.752 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.556 6.476 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.422 6.241 -0.768 1.00 0.00 H new ATOM 208 N VAL A 13 0.567 7.375 1.036 1.00 0.00 N ATOM 209 CA VAL A 13 -0.890 7.381 0.898 1.00 0.00 C ATOM 210 C VAL A 13 -1.276 7.146 -0.559 1.00 0.00 C ATOM 211 O VAL A 13 -0.512 7.494 -1.464 1.00 0.00 O ATOM 212 CB VAL A 13 -1.453 8.686 1.478 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.029 9.911 0.657 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.979 8.663 1.611 1.00 0.00 C ATOM 0 H VAL A 13 1.041 7.944 0.334 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.333 6.564 1.468 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.026 8.767 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.450 10.812 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.058 9.984 0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.394 9.808 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.322 9.611 2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.428 8.513 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.274 7.849 2.273 1.00 0.00 H new ATOM 224 N LEU A 14 -2.441 6.540 -0.793 1.00 0.00 N ATOM 225 CA LEU A 14 -2.944 6.307 -2.137 1.00 0.00 C ATOM 226 C LEU A 14 -3.567 7.604 -2.638 1.00 0.00 C ATOM 227 O LEU A 14 -4.700 7.953 -2.308 1.00 0.00 O ATOM 228 CB LEU A 14 -3.934 5.135 -2.202 1.00 0.00 C ATOM 229 CG LEU A 14 -4.269 4.747 -3.656 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.041 4.266 -4.435 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.323 3.632 -3.663 1.00 0.00 C ATOM 0 H LEU A 14 -3.057 6.200 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.116 6.017 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.512 4.274 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.851 5.404 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.647 5.645 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.334 4.006 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.295 5.060 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.619 3.389 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.558 3.360 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.934 2.760 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.227 3.983 -3.165 1.00 0.00 H new ATOM 243 N GLU A 15 -2.776 8.334 -3.408 1.00 0.00 N ATOM 244 CA GLU A 15 -3.179 9.527 -4.127 1.00 0.00 C ATOM 245 C GLU A 15 -4.153 9.148 -5.244 1.00 0.00 C ATOM 246 O GLU A 15 -5.276 9.651 -5.313 1.00 0.00 O ATOM 247 CB GLU A 15 -1.900 10.169 -4.686 1.00 0.00 C ATOM 248 CG GLU A 15 -1.462 11.412 -3.910 1.00 0.00 C ATOM 249 CD GLU A 15 -2.418 12.594 -4.005 1.00 0.00 C ATOM 250 OE1 GLU A 15 -3.309 12.722 -3.132 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.190 13.462 -4.883 1.00 0.00 O ATOM 0 H GLU A 15 -1.794 8.099 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.693 10.235 -3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.095 9.435 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.062 10.438 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.341 11.144 -2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.483 11.724 -4.274 1.00 0.00 H new ATOM 258 N SER A 16 -3.734 8.241 -6.126 1.00 0.00 N ATOM 259 CA SER A 16 -4.521 7.860 -7.282 1.00 0.00 C ATOM 260 C SER A 16 -4.258 6.403 -7.641 1.00 0.00 C ATOM 261 O SER A 16 -3.312 5.766 -7.171 1.00 0.00 O ATOM 262 CB SER A 16 -4.254 8.829 -8.443 1.00 0.00 C ATOM 263 OG SER A 16 -2.884 9.125 -8.613 1.00 0.00 O ATOM 0 H SER A 16 -2.840 7.755 -6.053 1.00 0.00 H new ATOM 0 HA SER A 16 -5.583 7.935 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.644 8.398 -9.365 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.801 9.756 -8.268 1.00 0.00 H new ATOM 0 HG SER A 16 -2.774 9.743 -9.365 1.00 0.00 H new ATOM 269 N VAL A 17 -5.142 5.858 -8.463 1.00 0.00 N ATOM 270 CA VAL A 17 -5.191 4.456 -8.811 1.00 0.00 C ATOM 271 C VAL A 17 -4.745 4.398 -10.280 1.00 0.00 C ATOM 272 O VAL A 17 -4.201 5.372 -10.810 1.00 0.00 O ATOM 273 CB VAL A 17 -6.618 3.917 -8.522 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.596 2.404 -8.242 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.332 4.594 -7.332 1.00 0.00 C ATOM 0 H VAL A 17 -5.871 6.406 -8.921 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.535 3.811 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.175 4.151 -9.429 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.610 2.056 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.196 1.879 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.967 2.204 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.321 4.155 -7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.748 4.444 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.431 5.662 -7.527 1.00 0.00 H new ATOM 285 N ASN A 18 -4.996 3.273 -10.944 1.00 0.00 N ATOM 286 CA ASN A 18 -4.521 2.918 -12.276 1.00 0.00 C ATOM 287 C ASN A 18 -4.642 4.063 -13.295 1.00 0.00 C ATOM 288 O ASN A 18 -3.730 4.292 -14.090 1.00 0.00 O ATOM 289 CB ASN A 18 -5.295 1.662 -12.725 1.00 0.00 C ATOM 290 CG ASN A 18 -6.630 2.024 -13.363 1.00 0.00 C ATOM 291 OD1 ASN A 18 -7.504 2.587 -12.708 1.00 0.00 O ATOM 292 ND2 ASN A 18 -6.768 1.793 -14.652 1.00 0.00 N ATOM 0 H ASN A 18 -5.575 2.538 -10.538 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.452 2.713 -12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.692 1.098 -13.437 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.466 1.013 -11.866 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.619 2.084 -15.134 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.024 1.323 -15.168 1.00 0.00 H new ATOM 299 N GLY A 19 -5.725 4.834 -13.226 1.00 0.00 N ATOM 300 CA GLY A 19 -5.915 6.079 -13.951 1.00 0.00 C ATOM 301 C GLY A 19 -6.637 7.099 -13.081 1.00 0.00 C ATOM 302 O GLY A 19 -6.223 8.250 -12.996 1.00 0.00 O ATOM 0 H GLY A 19 -6.524 4.595 -12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.949 6.477 -14.262 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.490 5.894 -14.858 1.00 0.00 H new ATOM 306 N LYS A 20 -7.694 6.672 -12.390 1.00 0.00 N ATOM 307 CA LYS A 20 -8.612 7.556 -11.680 1.00 0.00 C ATOM 308 C LYS A 20 -8.050 7.969 -10.314 1.00 0.00 C ATOM 309 O LYS A 20 -7.208 7.243 -9.778 1.00 0.00 O ATOM 310 CB LYS A 20 -9.975 6.857 -11.561 1.00 0.00 C ATOM 311 CG LYS A 20 -9.926 5.412 -11.024 1.00 0.00 C ATOM 312 CD LYS A 20 -10.278 4.411 -12.139 1.00 0.00 C ATOM 313 CE LYS A 20 -10.399 2.951 -11.689 1.00 0.00 C ATOM 314 NZ LYS A 20 -11.622 2.709 -10.897 1.00 0.00 N ATOM 0 H LYS A 20 -7.938 5.685 -12.308 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.739 8.481 -12.243 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.614 7.450 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.447 6.847 -12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.931 5.196 -10.634 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.624 5.302 -10.194 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.221 4.714 -12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.516 4.473 -12.916 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.401 2.302 -12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.525 2.682 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.661 1.709 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.609 3.308 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.458 2.940 -11.471 1.00 0.00 H new ATOM 328 N PRO A 21 -8.510 9.086 -9.727 1.00 0.00 N ATOM 329 CA PRO A 21 -8.057 9.546 -8.421 1.00 0.00 C ATOM 330 C PRO A 21 -8.744 8.763 -7.295 1.00 0.00 C ATOM 331 O PRO A 21 -9.682 7.989 -7.529 1.00 0.00 O ATOM 332 CB PRO A 21 -8.420 11.035 -8.388 1.00 0.00 C ATOM 333 CG PRO A 21 -9.705 11.095 -9.211 1.00 0.00 C ATOM 334 CD PRO A 21 -9.488 10.017 -10.274 1.00 0.00 C ATOM 0 HA PRO A 21 -6.989 9.390 -8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.577 11.390 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.633 11.652 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -10.584 10.888 -8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.852 12.078 -9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.423 9.506 -10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.127 10.456 -11.204 1.00 0.00 H new ATOM 342 N VAL A 22 -8.298 8.989 -6.062 1.00 0.00 N ATOM 343 CA VAL A 22 -9.032 8.633 -4.855 1.00 0.00 C ATOM 344 C VAL A 22 -9.821 9.872 -4.406 1.00 0.00 C ATOM 345 O VAL A 22 -9.469 11.009 -4.731 1.00 0.00 O ATOM 346 CB VAL A 22 -8.020 8.126 -3.799 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.640 7.821 -2.426 1.00 0.00 C ATOM 348 CG2 VAL A 22 -7.350 6.834 -4.296 1.00 0.00 C ATOM 0 H VAL A 22 -7.399 9.433 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.749 7.828 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.308 8.941 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.863 7.472 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.095 8.726 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.402 7.049 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.639 6.482 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.110 6.070 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.825 7.032 -5.231 1.00 0.00 H new ATOM 358 N THR A 23 -10.888 9.659 -3.637 1.00 0.00 N ATOM 359 CA THR A 23 -11.587 10.681 -2.894 1.00 0.00 C ATOM 360 C THR A 23 -11.840 10.132 -1.492 1.00 0.00 C ATOM 361 O THR A 23 -12.844 9.471 -1.226 1.00 0.00 O ATOM 362 CB THR A 23 -12.867 11.081 -3.633 1.00 0.00 C ATOM 363 OG1 THR A 23 -13.577 9.961 -4.145 1.00 0.00 O ATOM 364 CG2 THR A 23 -12.561 12.043 -4.777 1.00 0.00 C ATOM 0 H THR A 23 -11.296 8.732 -3.517 1.00 0.00 H new ATOM 0 HA THR A 23 -11.000 11.595 -2.805 1.00 0.00 H new ATOM 0 HB THR A 23 -13.499 11.574 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.669 9.283 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.488 12.311 -5.285 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.092 12.943 -4.380 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.885 11.563 -5.485 1.00 0.00 H new ATOM 372 N SER A 24 -10.881 10.328 -0.602 1.00 0.00 N ATOM 373 CA SER A 24 -10.967 10.039 0.813 1.00 0.00 C ATOM 374 C SER A 24 -9.872 10.875 1.472 1.00 0.00 C ATOM 375 O SER A 24 -8.751 10.948 0.973 1.00 0.00 O ATOM 376 CB SER A 24 -10.754 8.552 1.102 1.00 0.00 C ATOM 377 OG SER A 24 -11.968 7.824 1.216 1.00 0.00 O ATOM 0 H SER A 24 -9.974 10.714 -0.866 1.00 0.00 H new ATOM 0 HA SER A 24 -11.957 10.282 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.150 8.117 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.186 8.446 2.026 1.00 0.00 H new ATOM 0 HG SER A 24 -12.582 8.098 0.503 1.00 0.00 H new ATOM 383 N ASP A 25 -10.222 11.520 2.574 1.00 0.00 N ATOM 384 CA ASP A 25 -9.406 12.476 3.324 1.00 0.00 C ATOM 385 C ASP A 25 -9.543 12.183 4.812 1.00 0.00 C ATOM 386 O ASP A 25 -8.560 12.118 5.551 1.00 0.00 O ATOM 387 CB ASP A 25 -9.949 13.880 3.039 1.00 0.00 C ATOM 388 CG ASP A 25 -9.095 15.032 3.577 1.00 0.00 C ATOM 389 OD1 ASP A 25 -7.969 14.795 4.066 1.00 0.00 O ATOM 390 OD2 ASP A 25 -9.585 16.183 3.497 1.00 0.00 O ATOM 0 H ASP A 25 -11.139 11.385 2.999 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.358 12.402 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.054 14.000 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.948 13.959 3.467 1.00 0.00 H new ATOM 395 N LYS A 26 -10.790 11.903 5.217 1.00 0.00 N ATOM 396 CA LYS A 26 -11.177 11.546 6.571 1.00 0.00 C ATOM 397 C LYS A 26 -10.282 10.466 7.146 1.00 0.00 C ATOM 398 O LYS A 26 -9.757 10.631 8.240 1.00 0.00 O ATOM 399 CB LYS A 26 -12.660 11.166 6.607 1.00 0.00 C ATOM 400 CG LYS A 26 -13.115 10.010 5.698 1.00 0.00 C ATOM 401 CD LYS A 26 -14.579 10.197 5.282 1.00 0.00 C ATOM 402 CE LYS A 26 -14.891 9.362 4.034 1.00 0.00 C ATOM 403 NZ LYS A 26 -16.232 9.651 3.481 1.00 0.00 N ATOM 0 H LYS A 26 -11.583 11.923 4.576 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.041 12.415 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.917 10.909 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -13.241 12.050 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.482 9.966 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.998 9.061 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.237 9.901 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -14.775 11.250 5.081 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.137 9.558 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.825 8.303 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.395 9.062 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.956 9.439 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.290 10.655 3.217 1.00 0.00 H new ATOM 417 N ASN A 27 -10.045 9.444 6.337 1.00 0.00 N ATOM 418 CA ASN A 27 -9.162 8.306 6.506 1.00 0.00 C ATOM 419 C ASN A 27 -8.936 7.692 5.124 1.00 0.00 C ATOM 420 O ASN A 27 -9.778 6.903 4.689 1.00 0.00 O ATOM 421 CB ASN A 27 -9.643 7.281 7.548 1.00 0.00 C ATOM 422 CG ASN A 27 -11.138 7.116 7.774 1.00 0.00 C ATOM 423 OD1 ASN A 27 -11.610 7.261 8.896 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.928 6.806 6.764 1.00 0.00 N ATOM 0 H ASN A 27 -10.527 9.390 5.440 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.217 8.652 6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.242 6.308 7.264 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.191 7.545 8.504 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.929 6.687 6.918 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.537 6.685 5.830 1.00 0.00 H new ATOM 431 N PRO A 28 -7.947 8.157 4.333 1.00 0.00 N ATOM 432 CA PRO A 28 -7.635 7.580 3.029 1.00 0.00 C ATOM 433 C PRO A 28 -7.237 6.103 3.088 1.00 0.00 C ATOM 434 O PRO A 28 -6.749 5.645 4.128 1.00 0.00 O ATOM 435 CB PRO A 28 -6.455 8.376 2.462 1.00 0.00 C ATOM 436 CG PRO A 28 -5.870 9.108 3.662 1.00 0.00 C ATOM 437 CD PRO A 28 -7.036 9.251 4.629 1.00 0.00 C ATOM 0 HA PRO A 28 -8.532 7.635 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.718 7.718 2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.782 9.075 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.051 8.545 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.470 10.081 3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.693 9.202 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.531 10.214 4.502 1.00 0.00 H new ATOM 445 N PRO A 29 -7.293 5.406 1.935 1.00 0.00 N ATOM 446 CA PRO A 29 -6.447 4.261 1.688 1.00 0.00 C ATOM 447 C PRO A 29 -4.989 4.717 1.745 1.00 0.00 C ATOM 448 O PRO A 29 -4.487 5.384 0.843 1.00 0.00 O ATOM 449 CB PRO A 29 -6.862 3.663 0.346 1.00 0.00 C ATOM 450 CG PRO A 29 -7.640 4.774 -0.361 1.00 0.00 C ATOM 451 CD PRO A 29 -7.945 5.826 0.705 1.00 0.00 C ATOM 0 HA PRO A 29 -6.555 3.478 2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.992 3.359 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.479 2.775 0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.054 5.202 -1.174 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.559 4.387 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.580 6.805 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -9.021 5.920 0.854 1.00 0.00 H new ATOM 459 N GLU A 30 -4.323 4.415 2.847 1.00 0.00 N ATOM 460 CA GLU A 30 -2.932 4.751 3.115 1.00 0.00 C ATOM 461 C GLU A 30 -2.157 3.483 3.490 1.00 0.00 C ATOM 462 O GLU A 30 -2.747 2.423 3.736 1.00 0.00 O ATOM 463 CB GLU A 30 -2.884 5.824 4.213 1.00 0.00 C ATOM 464 CG GLU A 30 -3.187 5.219 5.587 1.00 0.00 C ATOM 465 CD GLU A 30 -3.468 6.236 6.688 1.00 0.00 C ATOM 466 OE1 GLU A 30 -3.651 7.446 6.414 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.642 5.784 7.842 1.00 0.00 O ATOM 0 H GLU A 30 -4.757 3.905 3.616 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.453 5.163 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.899 6.291 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.606 6.609 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.049 4.558 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.342 4.601 5.890 1.00 0.00 H new ATOM 474 N ILE A 31 -0.832 3.598 3.568 1.00 0.00 N ATOM 475 CA ILE A 31 0.058 2.520 3.956 1.00 0.00 C ATOM 476 C ILE A 31 1.167 3.117 4.833 1.00 0.00 C ATOM 477 O ILE A 31 1.429 4.321 4.818 1.00 0.00 O ATOM 478 CB ILE A 31 0.511 1.781 2.668 1.00 0.00 C ATOM 479 CG1 ILE A 31 1.176 0.425 2.975 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.390 2.632 1.729 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.207 -0.505 1.750 1.00 0.00 C ATOM 0 H ILE A 31 -0.342 4.467 3.357 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.411 1.752 4.571 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.412 1.589 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.194 0.594 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.637 -0.065 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.664 2.043 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.835 3.516 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.293 2.940 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.686 -1.446 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.188 -0.699 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.769 -0.030 0.946 1.00 0.00 H new ATOM 493 N SER A 32 1.797 2.298 5.659 1.00 0.00 N ATOM 494 CA SER A 32 3.036 2.631 6.330 1.00 0.00 C ATOM 495 C SER A 32 3.791 1.323 6.526 1.00 0.00 C ATOM 496 O SER A 32 3.269 0.236 6.249 1.00 0.00 O ATOM 497 CB SER A 32 2.763 3.368 7.648 1.00 0.00 C ATOM 498 OG SER A 32 3.951 3.979 8.111 1.00 0.00 O ATOM 0 H SER A 32 1.452 1.365 5.884 1.00 0.00 H new ATOM 0 HA SER A 32 3.643 3.317 5.739 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.990 4.122 7.500 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.388 2.669 8.395 1.00 0.00 H new ATOM 0 HG SER A 32 3.771 4.449 8.952 1.00 0.00 H new ATOM 504 N PHE A 33 5.032 1.442 6.978 1.00 0.00 N ATOM 505 CA PHE A 33 5.955 0.335 7.110 1.00 0.00 C ATOM 506 C PHE A 33 6.768 0.502 8.392 1.00 0.00 C ATOM 507 O PHE A 33 6.772 1.585 8.990 1.00 0.00 O ATOM 508 CB PHE A 33 6.874 0.277 5.880 1.00 0.00 C ATOM 509 CG PHE A 33 6.186 0.167 4.524 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.726 1.317 3.861 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.051 -1.077 3.888 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.092 1.222 2.608 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.469 -1.170 2.609 1.00 0.00 C ATOM 514 CZ PHE A 33 4.979 -0.022 1.966 1.00 0.00 C ATOM 0 H PHE A 33 5.430 2.335 7.269 1.00 0.00 H new ATOM 0 HA PHE A 33 5.403 -0.603 7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.496 1.172 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.543 -0.576 5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.861 2.286 4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.397 -1.972 4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.691 2.108 2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.399 -2.130 2.120 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.521 -0.095 0.991 1.00 0.00 H new ATOM 524 N GLY A 34 7.485 -0.552 8.779 1.00 0.00 N ATOM 525 CA GLY A 34 8.510 -0.545 9.813 1.00 0.00 C ATOM 526 C GLY A 34 9.280 -1.847 9.764 1.00 0.00 C ATOM 527 O GLY A 34 9.205 -2.583 8.780 1.00 0.00 O ATOM 0 H GLY A 34 7.359 -1.473 8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.187 0.297 9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.052 -0.417 10.794 1.00 0.00 H new ATOM 531 N GLU A 35 10.021 -2.095 10.835 1.00 0.00 N ATOM 532 CA GLU A 35 10.995 -3.165 10.997 1.00 0.00 C ATOM 533 C GLU A 35 10.464 -4.529 10.548 1.00 0.00 C ATOM 534 O GLU A 35 9.253 -4.772 10.532 1.00 0.00 O ATOM 535 CB GLU A 35 11.407 -3.180 12.474 1.00 0.00 C ATOM 536 CG GLU A 35 12.867 -3.547 12.687 1.00 0.00 C ATOM 537 CD GLU A 35 13.105 -5.051 12.790 1.00 0.00 C ATOM 538 OE1 GLU A 35 12.805 -5.643 13.859 1.00 0.00 O ATOM 539 OE2 GLU A 35 13.624 -5.655 11.827 1.00 0.00 O ATOM 0 H GLU A 35 9.953 -1.514 11.671 1.00 0.00 H new ATOM 0 HA GLU A 35 11.854 -2.974 10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.220 -2.197 12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.779 -3.890 13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.458 -3.149 11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.226 -3.067 13.597 1.00 0.00 H new ATOM 546 N LYS A 36 11.368 -5.449 10.207 1.00 0.00 N ATOM 547 CA LYS A 36 11.071 -6.664 9.456 1.00 0.00 C ATOM 548 C LYS A 36 10.318 -6.366 8.157 1.00 0.00 C ATOM 549 O LYS A 36 9.627 -7.260 7.663 1.00 0.00 O ATOM 550 CB LYS A 36 10.370 -7.720 10.337 1.00 0.00 C ATOM 551 CG LYS A 36 11.221 -8.143 11.545 1.00 0.00 C ATOM 552 CD LYS A 36 10.751 -9.470 12.155 1.00 0.00 C ATOM 553 CE LYS A 36 9.345 -9.414 12.760 1.00 0.00 C ATOM 554 NZ LYS A 36 9.341 -8.841 14.118 1.00 0.00 N ATOM 0 H LYS A 36 12.354 -5.364 10.454 1.00 0.00 H new ATOM 0 HA LYS A 36 12.021 -7.103 9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.419 -7.320 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.142 -8.598 9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.263 -8.236 11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.182 -7.363 12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.773 -10.240 11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.457 -9.773 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.698 -8.819 12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.925 -10.420 12.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.368 -8.824 14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.936 -9.422 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.716 -7.871 14.087 1.00 0.00 H new ATOM 568 N MET A 37 10.477 -5.164 7.573 1.00 0.00 N ATOM 569 CA MET A 37 9.834 -4.764 6.320 1.00 0.00 C ATOM 570 C MET A 37 8.305 -4.900 6.449 1.00 0.00 C ATOM 571 O MET A 37 7.606 -5.099 5.455 1.00 0.00 O ATOM 572 CB MET A 37 10.435 -5.621 5.177 1.00 0.00 C ATOM 573 CG MET A 37 11.516 -4.878 4.404 1.00 0.00 C ATOM 574 SD MET A 37 10.945 -3.422 3.490 1.00 0.00 S ATOM 575 CE MET A 37 9.441 -4.048 2.679 1.00 0.00 C ATOM 0 H MET A 37 11.068 -4.434 7.971 1.00 0.00 H new ATOM 0 HA MET A 37 10.024 -3.716 6.088 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.854 -6.536 5.594 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.641 -5.918 4.492 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.292 -4.567 5.103 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.979 -5.570 3.701 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.241 -3.462 1.782 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.583 -5.093 2.405 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.597 -3.964 3.363 1.00 0.00 H new ATOM 585 N MET A 38 7.770 -4.800 7.672 1.00 0.00 N ATOM 586 CA MET A 38 6.344 -4.834 7.934 1.00 0.00 C ATOM 587 C MET A 38 5.635 -3.776 7.105 1.00 0.00 C ATOM 588 O MET A 38 6.197 -2.724 6.806 1.00 0.00 O ATOM 589 CB MET A 38 6.062 -4.595 9.420 1.00 0.00 C ATOM 590 CG MET A 38 6.085 -5.892 10.231 1.00 0.00 C ATOM 591 SD MET A 38 5.124 -5.816 11.764 1.00 0.00 S ATOM 592 CE MET A 38 3.463 -6.075 11.079 1.00 0.00 C ATOM 0 H MET A 38 8.334 -4.692 8.515 1.00 0.00 H new ATOM 0 HA MET A 38 5.970 -5.820 7.659 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.804 -3.905 9.822 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.089 -4.117 9.531 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.700 -6.703 9.612 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.119 -6.139 10.473 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.730 -6.059 11.886 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.235 -5.282 10.367 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.425 -7.039 10.573 1.00 0.00 H new ATOM 602 N ILE A 39 4.378 -4.063 6.789 1.00 0.00 N ATOM 603 CA ILE A 39 3.500 -3.266 5.955 1.00 0.00 C ATOM 604 C ILE A 39 2.179 -3.211 6.709 1.00 0.00 C ATOM 605 O ILE A 39 1.563 -4.262 6.899 1.00 0.00 O ATOM 606 CB ILE A 39 3.312 -3.898 4.552 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.595 -4.474 3.914 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.595 -2.858 3.677 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.340 -5.196 2.589 1.00 0.00 C ATOM 0 H ILE A 39 3.922 -4.909 7.130 1.00 0.00 H new ATOM 0 HA ILE A 39 3.913 -2.273 5.777 1.00 0.00 H new ATOM 0 HB ILE A 39 2.700 -4.795 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.305 -3.664 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.061 -5.168 4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.443 -3.266 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.629 -2.614 4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.203 -1.956 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.282 -5.576 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.654 -6.027 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.902 -4.500 1.874 1.00 0.00 H new ATOM 621 N SER A 40 1.741 -2.034 7.142 1.00 0.00 N ATOM 622 CA SER A 40 0.581 -1.869 8.006 1.00 0.00 C ATOM 623 C SER A 40 -0.179 -0.614 7.562 1.00 0.00 C ATOM 624 O SER A 40 0.388 0.483 7.534 1.00 0.00 O ATOM 625 CB SER A 40 1.070 -1.822 9.461 1.00 0.00 C ATOM 626 OG SER A 40 1.680 -3.051 9.825 1.00 0.00 O ATOM 0 H SER A 40 2.192 -1.152 6.897 1.00 0.00 H new ATOM 0 HA SER A 40 -0.119 -2.701 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.782 -1.006 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.231 -1.616 10.125 1.00 0.00 H new ATOM 0 HG SER A 40 1.987 -3.001 10.754 1.00 0.00 H new ATOM 632 N GLY A 41 -1.444 -0.763 7.158 1.00 0.00 N ATOM 633 CA GLY A 41 -2.240 0.289 6.534 1.00 0.00 C ATOM 634 C GLY A 41 -3.734 0.035 6.701 1.00 0.00 C ATOM 635 O GLY A 41 -4.159 -0.783 7.525 1.00 0.00 O ATOM 0 H GLY A 41 -1.952 -1.642 7.260 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.982 1.252 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.997 0.350 5.473 1.00 0.00 H new ATOM 639 N SER A 42 -4.555 0.747 5.931 1.00 0.00 N ATOM 640 CA SER A 42 -5.955 0.411 5.760 1.00 0.00 C ATOM 641 C SER A 42 -6.450 1.015 4.466 1.00 0.00 C ATOM 642 O SER A 42 -6.399 2.233 4.296 1.00 0.00 O ATOM 643 CB SER A 42 -6.812 0.943 6.909 1.00 0.00 C ATOM 644 OG SER A 42 -8.145 0.485 6.752 1.00 0.00 O ATOM 0 H SER A 42 -4.261 1.573 5.410 1.00 0.00 H new ATOM 0 HA SER A 42 -6.041 -0.675 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.410 0.605 7.864 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.789 2.033 6.921 1.00 0.00 H new ATOM 0 HG SER A 42 -8.696 0.823 7.488 1.00 0.00 H new ATOM 650 N MET A 43 -6.980 0.158 3.591 1.00 0.00 N ATOM 651 CA MET A 43 -7.863 0.567 2.516 1.00 0.00 C ATOM 652 C MET A 43 -9.318 0.624 2.987 1.00 0.00 C ATOM 653 O MET A 43 -10.032 1.563 2.639 1.00 0.00 O ATOM 654 CB MET A 43 -7.733 -0.379 1.312 1.00 0.00 C ATOM 655 CG MET A 43 -6.292 -0.745 0.928 1.00 0.00 C ATOM 656 SD MET A 43 -5.150 0.636 0.648 1.00 0.00 S ATOM 657 CE MET A 43 -4.840 0.439 -1.125 1.00 0.00 C ATOM 0 H MET A 43 -6.802 -0.846 3.616 1.00 0.00 H new ATOM 0 HA MET A 43 -7.564 1.568 2.207 1.00 0.00 H new ATOM 0 HB2 MET A 43 -8.280 -1.297 1.529 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.216 0.084 0.451 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.879 -1.374 1.716 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.324 -1.350 0.022 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.331 1.324 -1.506 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.214 -0.438 -1.290 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.788 0.312 -1.648 1.00 0.00 H new ATOM 667 N CYS A 44 -9.767 -0.374 3.755 1.00 0.00 N ATOM 668 CA CYS A 44 -11.108 -0.446 4.319 1.00 0.00 C ATOM 669 C CYS A 44 -11.043 -1.371 5.541 1.00 0.00 C ATOM 670 O CYS A 44 -11.061 -0.902 6.674 1.00 0.00 O ATOM 671 CB CYS A 44 -12.131 -0.934 3.255 1.00 0.00 C ATOM 672 SG CYS A 44 -13.872 -1.065 3.795 1.00 0.00 S ATOM 0 H CYS A 44 -9.186 -1.174 4.005 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.454 0.539 4.631 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.088 -0.254 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.810 -1.913 2.898 1.00 0.00 H new ATOM 677 N ASN A 45 -10.872 -2.680 5.321 1.00 0.00 N ATOM 678 CA ASN A 45 -10.799 -3.755 6.324 1.00 0.00 C ATOM 679 C ASN A 45 -9.445 -3.828 7.031 1.00 0.00 C ATOM 680 O ASN A 45 -9.011 -4.885 7.486 1.00 0.00 O ATOM 681 CB ASN A 45 -11.115 -5.063 5.587 1.00 0.00 C ATOM 682 CG ASN A 45 -12.620 -5.240 5.485 1.00 0.00 C ATOM 683 OD1 ASN A 45 -13.276 -5.375 6.504 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.223 -5.146 4.317 1.00 0.00 N ATOM 0 H ASN A 45 -10.774 -3.044 4.373 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.517 -3.561 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.672 -5.047 4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.675 -5.907 6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.241 -5.186 4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.672 -5.033 3.466 1.00 0.00 H new ATOM 691 N ARG A 46 -8.748 -2.696 7.107 1.00 0.00 N ATOM 692 CA ARG A 46 -7.360 -2.572 7.536 1.00 0.00 C ATOM 693 C ARG A 46 -6.498 -3.531 6.714 1.00 0.00 C ATOM 694 O ARG A 46 -6.947 -3.992 5.667 1.00 0.00 O ATOM 695 CB ARG A 46 -7.291 -2.722 9.063 1.00 0.00 C ATOM 696 CG ARG A 46 -8.159 -1.661 9.765 1.00 0.00 C ATOM 697 CD ARG A 46 -8.193 -1.834 11.288 1.00 0.00 C ATOM 698 NE ARG A 46 -7.155 -1.033 11.950 1.00 0.00 N ATOM 699 CZ ARG A 46 -7.273 0.198 12.463 1.00 0.00 C ATOM 700 NH1 ARG A 46 -8.410 0.882 12.391 1.00 0.00 N ATOM 701 NH2 ARG A 46 -6.212 0.735 13.047 1.00 0.00 N ATOM 0 H ARG A 46 -9.159 -1.796 6.858 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.942 -1.585 7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.627 -3.719 9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.257 -2.627 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.777 -0.669 9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.176 -1.714 9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.173 -1.543 11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.055 -2.886 11.538 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.235 -1.466 12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.225 0.471 11.935 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.468 1.818 12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.338 0.212 13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.270 1.671 13.448 1.00 0.00 H new ATOM 715 N PHE A 47 -5.238 -3.709 7.093 1.00 0.00 N ATOM 716 CA PHE A 47 -4.363 -4.827 6.731 1.00 0.00 C ATOM 717 C PHE A 47 -3.020 -4.628 7.411 1.00 0.00 C ATOM 718 O PHE A 47 -2.617 -3.492 7.695 1.00 0.00 O ATOM 719 CB PHE A 47 -4.153 -4.973 5.209 1.00 0.00 C ATOM 720 CG PHE A 47 -3.451 -3.816 4.516 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.144 -2.624 4.225 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.111 -3.944 4.121 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.521 -1.594 3.495 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.487 -2.915 3.398 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.196 -1.752 3.059 1.00 0.00 C ATOM 0 H PHE A 47 -4.767 -3.037 7.699 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.848 -5.744 7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.578 -5.881 5.028 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.127 -5.113 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.162 -2.500 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.558 -4.837 4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.060 -0.686 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.454 -3.019 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.725 -0.983 2.466 1.00 0.00 H new ATOM 735 N SER A 48 -2.316 -5.726 7.669 1.00 0.00 N ATOM 736 CA SER A 48 -1.012 -5.676 8.298 1.00 0.00 C ATOM 737 C SER A 48 -0.275 -7.000 8.116 1.00 0.00 C ATOM 738 O SER A 48 -0.925 -8.039 8.241 1.00 0.00 O ATOM 739 CB SER A 48 -1.203 -5.381 9.785 1.00 0.00 C ATOM 740 OG SER A 48 -2.241 -6.127 10.412 1.00 0.00 O ATOM 0 H SER A 48 -2.636 -6.669 7.447 1.00 0.00 H new ATOM 0 HA SER A 48 -0.413 -4.893 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.266 -5.581 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.414 -4.318 9.906 1.00 0.00 H new ATOM 0 HG SER A 48 -2.295 -5.880 11.359 1.00 0.00 H new ATOM 746 N GLY A 49 1.047 -6.999 7.916 1.00 0.00 N ATOM 747 CA GLY A 49 1.800 -8.235 7.790 1.00 0.00 C ATOM 748 C GLY A 49 3.287 -7.950 7.628 1.00 0.00 C ATOM 749 O GLY A 49 3.672 -6.827 7.287 1.00 0.00 O ATOM 0 H GLY A 49 1.611 -6.152 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.638 -8.856 8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.438 -8.800 6.931 1.00 0.00 H new ATOM 753 N GLU A 50 4.131 -8.961 7.834 1.00 0.00 N ATOM 754 CA GLU A 50 5.564 -8.867 7.590 1.00 0.00 C ATOM 755 C GLU A 50 5.823 -8.931 6.091 1.00 0.00 C ATOM 756 O GLU A 50 5.808 -10.012 5.494 1.00 0.00 O ATOM 757 CB GLU A 50 6.325 -9.957 8.354 1.00 0.00 C ATOM 758 CG GLU A 50 6.491 -9.529 9.816 1.00 0.00 C ATOM 759 CD GLU A 50 7.236 -10.572 10.639 1.00 0.00 C ATOM 760 OE1 GLU A 50 8.363 -10.950 10.251 1.00 0.00 O ATOM 761 OE2 GLU A 50 6.703 -10.959 11.706 1.00 0.00 O ATOM 0 H GLU A 50 3.834 -9.874 8.178 1.00 0.00 H new ATOM 0 HA GLU A 50 5.935 -7.912 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.783 -10.901 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.301 -10.122 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.031 -8.583 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.509 -9.355 10.256 1.00 0.00 H new ATOM 768 N GLY A 51 6.049 -7.774 5.474 1.00 0.00 N ATOM 769 CA GLY A 51 6.512 -7.711 4.101 1.00 0.00 C ATOM 770 C GLY A 51 7.923 -8.276 3.937 1.00 0.00 C ATOM 771 O GLY A 51 8.662 -8.476 4.906 1.00 0.00 O ATOM 0 H GLY A 51 5.916 -6.863 5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.825 -8.266 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.496 -6.675 3.762 1.00 0.00 H new ATOM 775 N LYS A 52 8.329 -8.512 2.695 1.00 0.00 N ATOM 776 CA LYS A 52 9.693 -8.770 2.268 1.00 0.00 C ATOM 777 C LYS A 52 9.960 -7.895 1.057 1.00 0.00 C ATOM 778 O LYS A 52 9.062 -7.695 0.243 1.00 0.00 O ATOM 779 CB LYS A 52 9.823 -10.257 1.938 1.00 0.00 C ATOM 780 CG LYS A 52 11.082 -10.596 1.123 1.00 0.00 C ATOM 781 CD LYS A 52 11.599 -12.017 1.368 1.00 0.00 C ATOM 782 CE LYS A 52 12.581 -11.979 2.545 1.00 0.00 C ATOM 783 NZ LYS A 52 13.844 -12.668 2.236 1.00 0.00 N ATOM 0 H LYS A 52 7.673 -8.529 1.914 1.00 0.00 H new ATOM 0 HA LYS A 52 10.423 -8.535 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.836 -10.827 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.942 -10.576 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.863 -10.475 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.869 -9.883 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.770 -12.690 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.092 -12.400 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.790 -10.942 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.119 -12.443 3.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.477 -12.618 3.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.650 -13.664 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.299 -12.210 1.421 1.00 0.00 H new ATOM 797 N LEU A 53 11.184 -7.382 0.960 1.00 0.00 N ATOM 798 CA LEU A 53 11.698 -6.584 -0.142 1.00 0.00 C ATOM 799 C LEU A 53 13.213 -6.711 -0.131 1.00 0.00 C ATOM 800 O LEU A 53 13.812 -6.899 0.932 1.00 0.00 O ATOM 801 CB LEU A 53 11.283 -5.128 0.089 1.00 0.00 C ATOM 802 CG LEU A 53 11.914 -4.019 -0.774 1.00 0.00 C ATOM 803 CD1 LEU A 53 11.666 -4.111 -2.282 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.300 -2.724 -0.252 1.00 0.00 C ATOM 0 H LEU A 53 11.881 -7.522 1.692 1.00 0.00 H new ATOM 0 HA LEU A 53 11.307 -6.918 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.202 -5.070 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.491 -4.890 1.132 1.00 0.00 H new ATOM 0 HG LEU A 53 12.997 -4.096 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.158 -3.278 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.068 -5.051 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.594 -4.070 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.698 -1.880 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.217 -2.761 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.546 -2.604 0.803 1.00 0.00 H new ATOM 816 N SER A 54 13.827 -6.577 -1.301 1.00 0.00 N ATOM 817 CA SER A 54 15.271 -6.535 -1.482 1.00 0.00 C ATOM 818 C SER A 54 15.649 -5.931 -2.845 1.00 0.00 C ATOM 819 O SER A 54 16.761 -5.420 -2.982 1.00 0.00 O ATOM 820 CB SER A 54 15.785 -7.977 -1.365 1.00 0.00 C ATOM 821 OG SER A 54 17.195 -8.044 -1.269 1.00 0.00 O ATOM 0 H SER A 54 13.315 -6.492 -2.179 1.00 0.00 H new ATOM 0 HA SER A 54 15.726 -5.898 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.342 -8.447 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.456 -8.548 -2.233 1.00 0.00 H new ATOM 0 HG SER A 54 17.474 -8.981 -1.195 1.00 0.00 H new ATOM 827 N ASN A 55 14.734 -6.002 -3.825 1.00 0.00 N ATOM 828 CA ASN A 55 15.006 -6.122 -5.259 1.00 0.00 C ATOM 829 C ASN A 55 13.866 -5.548 -6.120 1.00 0.00 C ATOM 830 O ASN A 55 13.623 -6.037 -7.223 1.00 0.00 O ATOM 831 CB ASN A 55 15.180 -7.617 -5.593 1.00 0.00 C ATOM 832 CG ASN A 55 13.917 -8.445 -5.333 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.395 -8.445 -4.216 1.00 0.00 O ATOM 834 ND2 ASN A 55 13.411 -9.162 -6.317 1.00 0.00 N ATOM 0 H ASN A 55 13.734 -5.976 -3.624 1.00 0.00 H new ATOM 0 HA ASN A 55 15.907 -5.552 -5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 55 15.463 -7.718 -6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 55 16.000 -8.022 -5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.576 -9.727 -6.160 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.854 -9.152 -7.236 1.00 0.00 H new ATOM 841 N GLY A 56 13.115 -4.558 -5.627 1.00 0.00 N ATOM 842 CA GLY A 56 11.991 -4.018 -6.392 1.00 0.00 C ATOM 843 C GLY A 56 10.809 -4.993 -6.455 1.00 0.00 C ATOM 844 O GLY A 56 10.038 -4.977 -7.411 1.00 0.00 O ATOM 0 H GLY A 56 13.262 -4.121 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.663 -3.082 -5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.322 -3.785 -7.404 1.00 0.00 H new ATOM 848 N GLU A 57 10.660 -5.870 -5.458 1.00 0.00 N ATOM 849 CA GLU A 57 9.509 -6.755 -5.323 1.00 0.00 C ATOM 850 C GLU A 57 9.056 -6.720 -3.859 1.00 0.00 C ATOM 851 O GLU A 57 9.909 -6.618 -2.973 1.00 0.00 O ATOM 852 CB GLU A 57 9.885 -8.166 -5.787 1.00 0.00 C ATOM 853 CG GLU A 57 8.618 -9.004 -6.015 1.00 0.00 C ATOM 854 CD GLU A 57 8.960 -10.449 -6.352 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.416 -11.176 -5.435 1.00 0.00 O ATOM 856 OE2 GLU A 57 8.761 -10.888 -7.506 1.00 0.00 O ATOM 0 H GLU A 57 11.348 -5.983 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 57 8.680 -6.428 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.465 -8.111 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.518 -8.646 -5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.995 -8.975 -5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.033 -8.569 -6.825 1.00 0.00 H new ATOM 863 N LEU A 58 7.743 -6.768 -3.602 1.00 0.00 N ATOM 864 CA LEU A 58 7.123 -6.591 -2.295 1.00 0.00 C ATOM 865 C LEU A 58 6.068 -7.677 -2.082 1.00 0.00 C ATOM 866 O LEU A 58 4.957 -7.590 -2.613 1.00 0.00 O ATOM 867 CB LEU A 58 6.525 -5.177 -2.197 1.00 0.00 C ATOM 868 CG LEU A 58 5.995 -4.779 -0.807 1.00 0.00 C ATOM 869 CD1 LEU A 58 7.129 -4.633 0.213 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.266 -3.432 -0.921 1.00 0.00 C ATOM 0 H LEU A 58 7.058 -6.940 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 58 7.867 -6.691 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.287 -4.457 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.709 -5.095 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 58 5.323 -5.566 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.714 -4.351 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.658 -5.581 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.823 -3.862 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.886 -3.140 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.959 -2.673 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.435 -3.526 -1.619 1.00 0.00 H new ATOM 882 N THR A 59 6.406 -8.702 -1.308 1.00 0.00 N ATOM 883 CA THR A 59 5.495 -9.774 -0.916 1.00 0.00 C ATOM 884 C THR A 59 5.093 -9.604 0.550 1.00 0.00 C ATOM 885 O THR A 59 5.907 -9.166 1.366 1.00 0.00 O ATOM 886 CB THR A 59 6.168 -11.137 -1.151 1.00 0.00 C ATOM 887 OG1 THR A 59 7.535 -11.127 -0.762 1.00 0.00 O ATOM 888 CG2 THR A 59 6.074 -11.529 -2.621 1.00 0.00 C ATOM 0 H THR A 59 7.345 -8.814 -0.925 1.00 0.00 H new ATOM 0 HA THR A 59 4.591 -9.728 -1.524 1.00 0.00 H new ATOM 0 HB THR A 59 5.639 -11.865 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.928 -12.010 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.555 -12.496 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.026 -11.595 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.574 -10.777 -3.231 1.00 0.00 H new ATOM 896 N ALA A 60 3.853 -9.952 0.905 1.00 0.00 N ATOM 897 CA ALA A 60 3.383 -10.053 2.287 1.00 0.00 C ATOM 898 C ALA A 60 3.486 -11.500 2.776 1.00 0.00 C ATOM 899 O ALA A 60 2.945 -12.395 2.132 1.00 0.00 O ATOM 900 CB ALA A 60 1.920 -9.612 2.354 1.00 0.00 C ATOM 0 H ALA A 60 3.131 -10.177 0.221 1.00 0.00 H new ATOM 0 HA ALA A 60 4.000 -9.414 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.565 -9.685 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.835 -8.580 2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.316 -10.256 1.715 1.00 0.00 H new ATOM 906 N LYS A 61 4.084 -11.755 3.948 1.00 0.00 N ATOM 907 CA LYS A 61 4.170 -13.122 4.489 1.00 0.00 C ATOM 908 C LYS A 61 2.883 -13.601 5.171 1.00 0.00 C ATOM 909 O LYS A 61 2.743 -14.797 5.426 1.00 0.00 O ATOM 910 CB LYS A 61 5.361 -13.252 5.458 1.00 0.00 C ATOM 911 CG LYS A 61 6.024 -14.627 5.312 1.00 0.00 C ATOM 912 CD LYS A 61 7.172 -14.864 6.302 1.00 0.00 C ATOM 913 CE LYS A 61 8.133 -15.891 5.691 1.00 0.00 C ATOM 914 NZ LYS A 61 9.038 -16.497 6.682 1.00 0.00 N ATOM 0 H LYS A 61 4.512 -11.041 4.537 1.00 0.00 H new ATOM 0 HA LYS A 61 4.322 -13.771 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.090 -12.467 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.020 -13.113 6.484 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.270 -15.401 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.404 -14.732 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.695 -13.930 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.784 -15.227 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.554 -16.678 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.726 -15.408 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.662 -17.182 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.613 -15.754 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.479 -16.984 7.411 1.00 0.00 H new ATOM 928 N GLY A 62 1.942 -12.718 5.501 1.00 0.00 N ATOM 929 CA GLY A 62 0.698 -13.077 6.173 1.00 0.00 C ATOM 930 C GLY A 62 0.001 -11.805 6.610 1.00 0.00 C ATOM 931 O GLY A 62 0.618 -10.990 7.299 1.00 0.00 O ATOM 0 H GLY A 62 2.025 -11.720 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.057 -13.649 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.903 -13.712 7.035 1.00 0.00 H new ATOM 935 N LEU A 63 -1.242 -11.609 6.182 1.00 0.00 N ATOM 936 CA LEU A 63 -1.852 -10.309 5.981 1.00 0.00 C ATOM 937 C LEU A 63 -3.198 -10.227 6.708 1.00 0.00 C ATOM 938 O LEU A 63 -4.231 -10.647 6.190 1.00 0.00 O ATOM 939 CB LEU A 63 -2.004 -10.125 4.472 1.00 0.00 C ATOM 940 CG LEU A 63 -2.317 -8.675 4.108 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.082 -8.053 3.470 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.490 -8.602 3.135 1.00 0.00 C ATOM 0 H LEU A 63 -1.870 -12.381 5.959 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.236 -9.511 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.086 -10.435 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.800 -10.772 4.105 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.590 -8.130 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.292 -7.017 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.252 -8.086 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.817 -8.610 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.695 -7.560 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.242 -9.147 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.372 -9.047 3.595 1.00 0.00 H new ATOM 954 N ALA A 64 -3.177 -9.705 7.930 1.00 0.00 N ATOM 955 CA ALA A 64 -4.318 -9.697 8.835 1.00 0.00 C ATOM 956 C ALA A 64 -5.314 -8.595 8.475 1.00 0.00 C ATOM 957 O ALA A 64 -5.017 -7.419 8.712 1.00 0.00 O ATOM 958 CB ALA A 64 -3.827 -9.490 10.271 1.00 0.00 C ATOM 0 H ALA A 64 -2.346 -9.266 8.327 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.828 -10.656 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.680 -9.484 10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.151 -10.300 10.545 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.300 -8.538 10.342 1.00 0.00 H new ATOM 964 N MET A 65 -6.491 -8.942 7.954 1.00 0.00 N ATOM 965 CA MET A 65 -7.558 -7.994 7.624 1.00 0.00 C ATOM 966 C MET A 65 -8.833 -8.334 8.412 1.00 0.00 C ATOM 967 O MET A 65 -9.007 -9.464 8.877 1.00 0.00 O ATOM 968 CB MET A 65 -7.838 -8.019 6.118 1.00 0.00 C ATOM 969 CG MET A 65 -6.602 -7.774 5.255 1.00 0.00 C ATOM 970 SD MET A 65 -6.983 -7.695 3.488 1.00 0.00 S ATOM 971 CE MET A 65 -7.493 -5.968 3.361 1.00 0.00 C ATOM 0 H MET A 65 -6.735 -9.910 7.745 1.00 0.00 H new ATOM 0 HA MET A 65 -7.236 -6.990 7.902 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.268 -8.985 5.854 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.588 -7.263 5.885 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.130 -6.841 5.562 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.879 -8.570 5.431 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.201 -5.857 2.540 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.966 -5.659 4.293 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.620 -5.344 3.173 1.00 0.00 H new ATOM 981 N THR A 66 -9.738 -7.368 8.556 1.00 0.00 N ATOM 982 CA THR A 66 -10.899 -7.419 9.444 1.00 0.00 C ATOM 983 C THR A 66 -12.193 -7.775 8.682 1.00 0.00 C ATOM 984 O THR A 66 -12.117 -8.346 7.590 1.00 0.00 O ATOM 985 CB THR A 66 -10.969 -6.115 10.265 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.334 -4.995 9.497 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.654 -5.735 10.959 1.00 0.00 C ATOM 0 H THR A 66 -9.681 -6.492 8.036 1.00 0.00 H new ATOM 0 HA THR A 66 -10.786 -8.235 10.158 1.00 0.00 H new ATOM 0 HB THR A 66 -11.731 -6.351 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.828 -4.361 10.058 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.790 -4.807 11.514 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.363 -6.529 11.646 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.874 -5.599 10.210 1.00 0.00 H new ATOM 995 N ARG A 67 -13.379 -7.562 9.285 1.00 0.00 N ATOM 996 CA ARG A 67 -14.697 -7.868 8.708 1.00 0.00 C ATOM 997 C ARG A 67 -15.644 -6.678 8.905 1.00 0.00 C ATOM 998 O ARG A 67 -16.598 -6.736 9.691 1.00 0.00 O ATOM 999 CB ARG A 67 -15.271 -9.149 9.345 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.431 -10.415 9.105 1.00 0.00 C ATOM 1001 CD ARG A 67 -15.149 -11.462 8.247 1.00 0.00 C ATOM 1002 NE ARG A 67 -16.340 -12.004 8.916 1.00 0.00 N ATOM 1003 CZ ARG A 67 -17.245 -12.815 8.362 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -17.244 -13.070 7.060 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -18.188 -13.346 9.129 1.00 0.00 N ATOM 0 H ARG A 67 -13.445 -7.158 10.219 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.589 -8.043 7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.369 -8.992 10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.275 -9.315 8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -13.496 -10.136 8.619 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.171 -10.858 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.440 -11.014 7.297 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.461 -12.276 8.018 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.489 -11.737 9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -16.541 -12.643 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.946 -13.693 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.214 -13.133 10.126 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -18.887 -13.967 8.722 1.00 0.00 H new ATOM 1019 N MET A 68 -15.382 -5.570 8.228 1.00 0.00 N ATOM 1020 CA MET A 68 -16.077 -4.297 8.325 1.00 0.00 C ATOM 1021 C MET A 68 -16.387 -3.748 6.922 1.00 0.00 C ATOM 1022 O MET A 68 -16.245 -4.444 5.921 1.00 0.00 O ATOM 1023 CB MET A 68 -15.254 -3.329 9.191 1.00 0.00 C ATOM 1024 CG MET A 68 -13.869 -3.011 8.612 1.00 0.00 C ATOM 1025 SD MET A 68 -12.872 -1.879 9.619 1.00 0.00 S ATOM 1026 CE MET A 68 -13.661 -0.322 9.150 1.00 0.00 C ATOM 0 H MET A 68 -14.623 -5.536 7.547 1.00 0.00 H new ATOM 0 HA MET A 68 -17.040 -4.428 8.818 1.00 0.00 H new ATOM 0 HB2 MET A 68 -15.810 -2.399 9.311 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.133 -3.758 10.186 1.00 0.00 H new ATOM 0 HG2 MET A 68 -13.320 -3.944 8.486 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.995 -2.578 7.620 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.167 0.505 9.661 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.580 -0.183 8.072 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.713 -0.347 9.434 1.00 0.00 H new ATOM 1036 N MET A 69 -16.881 -2.509 6.852 1.00 0.00 N ATOM 1037 CA MET A 69 -17.359 -1.852 5.638 1.00 0.00 C ATOM 1038 C MET A 69 -16.898 -0.396 5.614 1.00 0.00 C ATOM 1039 O MET A 69 -16.356 0.101 6.607 1.00 0.00 O ATOM 1040 CB MET A 69 -18.896 -1.912 5.593 1.00 0.00 C ATOM 1041 CG MET A 69 -19.582 -1.110 6.716 1.00 0.00 C ATOM 1042 SD MET A 69 -20.664 -2.039 7.840 1.00 0.00 S ATOM 1043 CE MET A 69 -19.578 -3.389 8.371 1.00 0.00 C ATOM 0 H MET A 69 -16.961 -1.913 7.676 1.00 0.00 H new ATOM 0 HA MET A 69 -16.950 -2.366 4.768 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.237 -1.535 4.629 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.212 -2.953 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 69 -18.807 -0.628 7.312 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.171 -0.316 6.256 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.090 -3.996 9.118 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.323 -4.010 7.512 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.667 -2.975 8.803 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.205 0.320 4.530 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.758 1.691 4.306 1.00 0.00 C ATOM 1055 C CYS A 70 -17.836 2.625 3.725 1.00 0.00 C ATOM 1056 O CYS A 70 -17.516 3.775 3.432 1.00 0.00 O ATOM 1057 CB CYS A 70 -15.461 1.675 3.466 1.00 0.00 C ATOM 1058 SG CYS A 70 -13.988 1.154 4.370 1.00 0.00 S ATOM 0 H CYS A 70 -17.781 -0.046 3.772 1.00 0.00 H new ATOM 0 HA CYS A 70 -16.546 2.128 5.282 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.603 1.010 2.614 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -15.291 2.674 3.065 1.00 0.00 H new ATOM 1063 N ALA A 71 -19.093 2.192 3.556 1.00 0.00 N ATOM 1064 CA ALA A 71 -20.195 2.963 2.957 1.00 0.00 C ATOM 1065 C ALA A 71 -19.919 3.434 1.516 1.00 0.00 C ATOM 1066 O ALA A 71 -20.740 4.138 0.926 1.00 0.00 O ATOM 1067 CB ALA A 71 -20.623 4.120 3.874 1.00 0.00 C ATOM 0 H ALA A 71 -19.383 1.258 3.844 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.034 2.272 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.438 4.672 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -20.957 3.721 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.777 4.789 4.035 1.00 0.00 H new ATOM 1073 N ASN A 72 -18.792 3.060 0.907 1.00 0.00 N ATOM 1074 CA ASN A 72 -18.518 3.326 -0.502 1.00 0.00 C ATOM 1075 C ASN A 72 -17.765 2.105 -1.042 1.00 0.00 C ATOM 1076 O ASN A 72 -16.886 1.598 -0.332 1.00 0.00 O ATOM 1077 CB ASN A 72 -17.653 4.599 -0.501 1.00 0.00 C ATOM 1078 CG ASN A 72 -17.474 5.292 -1.841 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -18.066 4.963 -2.864 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -16.626 6.296 -1.876 1.00 0.00 N ATOM 0 H ASN A 72 -18.040 2.561 1.383 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.398 3.480 -1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.094 5.311 0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.667 4.342 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.464 6.796 -2.750 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -16.130 6.575 -1.029 1.00 0.00 H new ATOM 1087 N PRO A 73 -18.008 1.653 -2.285 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.488 0.367 -2.747 1.00 0.00 C ATOM 1089 C PRO A 73 -16.018 0.425 -3.140 1.00 0.00 C ATOM 1090 O PRO A 73 -15.337 -0.578 -2.997 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.364 -0.056 -3.934 1.00 0.00 C ATOM 1092 CG PRO A 73 -18.938 1.266 -4.425 1.00 0.00 C ATOM 1093 CD PRO A 73 -19.138 2.013 -3.122 1.00 0.00 C ATOM 0 HA PRO A 73 -17.532 -0.360 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.781 -0.555 -4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.149 -0.748 -3.630 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.254 1.786 -5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.874 1.130 -4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.174 3.089 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.080 1.732 -2.650 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.497 1.579 -3.576 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.102 1.699 -4.025 1.00 0.00 C ATOM 1103 C GLN A 74 -13.127 1.133 -2.986 1.00 0.00 C ATOM 1104 O GLN A 74 -12.214 0.378 -3.320 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.787 3.171 -4.339 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.299 3.404 -4.674 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.002 4.698 -5.443 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -12.865 5.550 -5.642 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -10.775 4.878 -5.900 1.00 0.00 N ATOM 0 H GLN A 74 -16.025 2.450 -3.628 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.976 1.109 -4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.400 3.498 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.063 3.788 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.730 3.413 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.938 2.559 -5.261 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.060 4.170 -5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.543 5.725 -6.419 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.335 1.504 -1.727 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.507 1.111 -0.594 1.00 0.00 C ATOM 1120 C LEU A 75 -12.684 -0.376 -0.278 1.00 0.00 C ATOM 1121 O LEU A 75 -11.723 -1.055 0.068 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.911 1.958 0.623 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.843 3.482 0.409 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.488 4.194 1.596 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.405 3.964 0.212 1.00 0.00 C ATOM 0 H LEU A 75 -14.112 2.108 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.458 1.278 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.928 1.692 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.265 1.695 1.460 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.391 3.723 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.439 5.272 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.530 3.886 1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.955 3.932 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.400 5.044 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.814 3.716 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.974 3.476 -0.663 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.913 -0.872 -0.429 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.337 -2.258 -0.233 1.00 0.00 C ATOM 1139 C ASN A 76 -13.974 -3.156 -1.431 1.00 0.00 C ATOM 1140 O ASN A 76 -14.326 -4.328 -1.456 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.859 -2.262 -0.001 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.282 -3.216 1.116 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.962 -4.398 1.108 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.039 -2.730 2.090 1.00 0.00 N ATOM 0 H ASN A 76 -14.691 -0.275 -0.711 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.812 -2.669 0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.188 -1.252 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.363 -2.545 -0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.360 -3.342 2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.301 -1.744 2.089 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.307 -2.593 -2.436 1.00 0.00 N ATOM 1152 CA GLU A 77 -12.748 -3.254 -3.608 1.00 0.00 C ATOM 1153 C GLU A 77 -11.225 -3.242 -3.486 1.00 0.00 C ATOM 1154 O GLU A 77 -10.567 -4.252 -3.741 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.224 -2.507 -4.855 1.00 0.00 C ATOM 1156 CG GLU A 77 -14.548 -3.044 -5.407 1.00 0.00 C ATOM 1157 CD GLU A 77 -14.300 -3.968 -6.595 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -13.578 -4.979 -6.462 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -14.798 -3.643 -7.697 1.00 0.00 O ATOM 0 H GLU A 77 -13.131 -1.588 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.077 -4.290 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.339 -1.450 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.459 -2.578 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.082 -3.584 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.184 -2.213 -5.712 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.657 -2.125 -3.002 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.256 -2.059 -2.600 1.00 0.00 C ATOM 1168 C LEU A 78 -8.946 -3.125 -1.544 1.00 0.00 C ATOM 1169 O LEU A 78 -7.809 -3.593 -1.466 1.00 0.00 O ATOM 1170 CB LEU A 78 -8.880 -0.672 -2.059 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.716 0.436 -3.109 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -8.470 1.778 -2.410 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -7.561 0.138 -4.080 1.00 0.00 C ATOM 0 H LEU A 78 -11.162 -1.247 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.659 -2.248 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.645 -0.361 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.946 -0.761 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.637 0.482 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.354 2.562 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.317 2.013 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.564 1.714 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.479 0.946 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.628 0.056 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.756 -0.800 -4.601 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.948 -3.529 -0.760 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.879 -4.568 0.267 1.00 0.00 C ATOM 1187 C ASP A 79 -9.568 -5.958 -0.316 1.00 0.00 C ATOM 1188 O ASP A 79 -9.121 -6.831 0.427 1.00 0.00 O ATOM 1189 CB ASP A 79 -11.169 -4.581 1.101 1.00 0.00 C ATOM 1190 CG ASP A 79 -12.003 -5.862 1.007 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -12.395 -6.291 -0.090 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -12.295 -6.426 2.082 1.00 0.00 O ATOM 0 H ASP A 79 -10.879 -3.117 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.044 -4.323 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.907 -4.415 2.146 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.790 -3.741 0.791 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.668 -6.142 -1.633 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.195 -7.333 -2.342 1.00 0.00 C ATOM 1199 C ASN A 80 -7.917 -7.012 -3.101 1.00 0.00 C ATOM 1200 O ASN A 80 -6.958 -7.770 -2.995 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.266 -7.897 -3.289 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.334 -8.656 -2.511 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.018 -9.540 -1.717 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.600 -8.319 -2.680 1.00 0.00 N ATOM 0 H ASN A 80 -10.091 -5.450 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.984 -8.104 -1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.727 -7.083 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.800 -8.561 -4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.330 -8.794 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.848 -7.584 -3.342 1.00 0.00 H new ATOM 1211 N THR A 81 -7.883 -5.871 -3.797 1.00 0.00 N ATOM 1212 CA THR A 81 -6.763 -5.394 -4.601 1.00 0.00 C ATOM 1213 C THR A 81 -5.431 -5.566 -3.858 1.00 0.00 C ATOM 1214 O THR A 81 -4.609 -6.387 -4.260 1.00 0.00 O ATOM 1215 CB THR A 81 -7.046 -3.932 -4.972 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.265 -3.856 -5.684 1.00 0.00 O ATOM 1217 CG2 THR A 81 -5.965 -3.253 -5.802 1.00 0.00 C ATOM 0 H THR A 81 -8.675 -5.228 -3.813 1.00 0.00 H new ATOM 0 HA THR A 81 -6.666 -5.984 -5.512 1.00 0.00 H new ATOM 0 HB THR A 81 -7.084 -3.399 -4.022 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.012 -3.824 -5.051 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.259 -2.225 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.026 -3.256 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.835 -3.791 -6.741 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.180 -4.789 -2.798 1.00 0.00 N ATOM 1226 CA ILE A 82 -3.831 -4.724 -2.246 1.00 0.00 C ATOM 1227 C ILE A 82 -3.474 -6.020 -1.507 1.00 0.00 C ATOM 1228 O ILE A 82 -2.307 -6.403 -1.452 1.00 0.00 O ATOM 1229 CB ILE A 82 -3.658 -3.437 -1.413 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.182 -3.148 -1.109 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -4.449 -3.417 -0.096 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -1.411 -2.629 -2.327 1.00 0.00 C ATOM 0 H ILE A 82 -5.874 -4.214 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.103 -4.655 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.072 -2.655 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.119 -2.414 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.706 -4.059 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.268 -2.476 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.513 -3.514 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.128 -4.247 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.374 -2.443 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.446 -3.372 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.865 -1.702 -2.677 1.00 0.00 H new ATOM 1244 N SER A 83 -4.466 -6.703 -0.937 1.00 0.00 N ATOM 1245 CA SER A 83 -4.333 -8.037 -0.360 1.00 0.00 C ATOM 1246 C SER A 83 -3.703 -8.974 -1.388 1.00 0.00 C ATOM 1247 O SER A 83 -2.620 -9.517 -1.142 1.00 0.00 O ATOM 1248 CB SER A 83 -5.698 -8.555 0.135 1.00 0.00 C ATOM 1249 OG SER A 83 -5.598 -9.800 0.803 1.00 0.00 O ATOM 0 H SER A 83 -5.413 -6.330 -0.863 1.00 0.00 H new ATOM 0 HA SER A 83 -3.677 -7.996 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.139 -7.820 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.374 -8.656 -0.714 1.00 0.00 H new ATOM 0 HG SER A 83 -6.488 -10.085 1.099 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.369 -9.138 -2.532 1.00 0.00 N ATOM 1256 CA GLU A 84 -3.989 -10.095 -3.552 1.00 0.00 C ATOM 1257 C GLU A 84 -2.670 -9.695 -4.209 1.00 0.00 C ATOM 1258 O GLU A 84 -1.836 -10.571 -4.416 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.132 -10.231 -4.572 1.00 0.00 C ATOM 1260 CG GLU A 84 -4.906 -11.378 -5.573 1.00 0.00 C ATOM 1261 CD GLU A 84 -4.702 -12.741 -4.897 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -5.353 -13.028 -3.861 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -3.886 -13.554 -5.378 1.00 0.00 O ATOM 0 H GLU A 84 -5.200 -8.597 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.823 -11.071 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.069 -10.398 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.238 -9.294 -5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.762 -11.438 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.034 -11.150 -6.186 1.00 0.00 H new ATOM 1270 N MET A 85 -2.430 -8.400 -4.459 1.00 0.00 N ATOM 1271 CA MET A 85 -1.231 -7.934 -5.159 1.00 0.00 C ATOM 1272 C MET A 85 0.009 -8.342 -4.364 1.00 0.00 C ATOM 1273 O MET A 85 1.003 -8.827 -4.898 1.00 0.00 O ATOM 1274 CB MET A 85 -1.298 -6.404 -5.314 1.00 0.00 C ATOM 1275 CG MET A 85 -2.306 -5.983 -6.392 1.00 0.00 C ATOM 1276 SD MET A 85 -2.711 -4.212 -6.433 1.00 0.00 S ATOM 1277 CE MET A 85 -1.316 -3.572 -7.388 1.00 0.00 C ATOM 0 H MET A 85 -3.062 -7.649 -4.181 1.00 0.00 H new ATOM 0 HA MET A 85 -1.175 -8.385 -6.150 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.576 -5.954 -4.361 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.310 -6.021 -5.571 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.911 -6.271 -7.366 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.228 -6.546 -6.243 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.519 -2.543 -7.684 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.413 -3.603 -6.778 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.173 -4.184 -8.278 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.069 -8.173 -3.047 1.00 0.00 N ATOM 1288 CA LEU A 86 1.009 -8.472 -2.118 1.00 0.00 C ATOM 1289 C LEU A 86 1.152 -9.973 -1.883 1.00 0.00 C ATOM 1290 O LEU A 86 2.215 -10.421 -1.458 1.00 0.00 O ATOM 1291 CB LEU A 86 0.679 -7.776 -0.797 1.00 0.00 C ATOM 1292 CG LEU A 86 1.002 -6.272 -0.746 1.00 0.00 C ATOM 1293 CD1 LEU A 86 2.413 -6.065 -0.193 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.885 -5.461 -2.036 1.00 0.00 C ATOM 0 H LEU A 86 -0.906 -7.815 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 86 1.953 -8.119 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.383 -7.910 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.225 -8.275 0.004 1.00 0.00 H new ATOM 0 HG LEU A 86 0.211 -5.885 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.638 -4.999 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.474 -6.481 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.134 -6.567 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.144 -4.421 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.565 -5.868 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.138 -5.515 -2.408 1.00 0.00 H new ATOM 1306 N LYS A 87 0.086 -10.746 -2.100 1.00 0.00 N ATOM 1307 CA LYS A 87 0.075 -12.181 -1.966 1.00 0.00 C ATOM 1308 C LYS A 87 0.772 -12.800 -3.166 1.00 0.00 C ATOM 1309 O LYS A 87 1.656 -13.632 -2.986 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.392 -12.652 -1.865 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.544 -14.082 -1.348 1.00 0.00 C ATOM 1312 CD LYS A 87 -1.119 -14.223 0.112 1.00 0.00 C ATOM 1313 CE LYS A 87 -2.151 -13.663 1.096 1.00 0.00 C ATOM 1314 NZ LYS A 87 -2.422 -14.597 2.206 1.00 0.00 N ATOM 0 H LYS A 87 -0.817 -10.365 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 87 0.607 -12.493 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.936 -11.977 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.856 -12.579 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.583 -14.394 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.946 -14.753 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.948 -15.276 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.169 -13.708 0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.791 -12.716 1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.080 -13.451 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.125 -14.179 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.790 -15.492 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.542 -14.780 2.729 1.00 0.00 H new ATOM 1328 N GLU A 88 0.357 -12.425 -4.379 1.00 0.00 N ATOM 1329 CA GLU A 88 0.970 -12.915 -5.606 1.00 0.00 C ATOM 1330 C GLU A 88 2.428 -12.433 -5.711 1.00 0.00 C ATOM 1331 O GLU A 88 3.302 -13.241 -6.040 1.00 0.00 O ATOM 1332 CB GLU A 88 0.068 -12.638 -6.828 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.062 -11.175 -7.291 1.00 0.00 C ATOM 1334 CD GLU A 88 -1.075 -10.971 -8.440 1.00 0.00 C ATOM 1335 OE1 GLU A 88 -1.254 -11.913 -9.251 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -1.644 -9.864 -8.591 1.00 0.00 O ATOM 0 H GLU A 88 -0.413 -11.774 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 88 1.046 -14.002 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.445 -13.225 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.931 -13.010 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.361 -10.560 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.916 -10.818 -7.614 1.00 0.00 H new ATOM 1343 N GLY A 89 2.708 -11.188 -5.304 1.00 0.00 N ATOM 1344 CA GLY A 89 4.031 -10.585 -5.187 1.00 0.00 C ATOM 1345 C GLY A 89 4.093 -9.374 -6.086 1.00 0.00 C ATOM 1346 O GLY A 89 4.143 -9.518 -7.306 1.00 0.00 O ATOM 0 H GLY A 89 1.968 -10.540 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.225 -10.298 -4.153 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.800 -11.304 -5.469 1.00 0.00 H new ATOM 1350 N ALA A 90 4.047 -8.185 -5.491 1.00 0.00 N ATOM 1351 CA ALA A 90 4.014 -6.946 -6.240 1.00 0.00 C ATOM 1352 C ALA A 90 5.412 -6.627 -6.762 1.00 0.00 C ATOM 1353 O ALA A 90 6.344 -6.615 -5.966 1.00 0.00 O ATOM 1354 CB ALA A 90 3.526 -5.835 -5.309 1.00 0.00 C ATOM 0 H ALA A 90 4.032 -8.060 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 90 3.340 -7.033 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.494 -4.892 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.528 -6.078 -4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.208 -5.743 -4.464 1.00 0.00 H new ATOM 1360 N GLN A 91 5.563 -6.258 -8.037 1.00 0.00 N ATOM 1361 CA GLN A 91 6.665 -5.409 -8.447 1.00 0.00 C ATOM 1362 C GLN A 91 6.418 -4.073 -7.751 1.00 0.00 C ATOM 1363 O GLN A 91 5.263 -3.633 -7.671 1.00 0.00 O ATOM 1364 CB GLN A 91 6.671 -5.209 -9.969 1.00 0.00 C ATOM 1365 CG GLN A 91 7.001 -6.449 -10.817 1.00 0.00 C ATOM 1366 CD GLN A 91 8.144 -7.302 -10.274 1.00 0.00 C ATOM 1367 OE1 GLN A 91 9.293 -6.878 -10.250 1.00 0.00 O ATOM 1368 NE2 GLN A 91 7.881 -8.539 -9.882 1.00 0.00 N ATOM 0 H GLN A 91 4.936 -6.536 -8.792 1.00 0.00 H new ATOM 0 HA GLN A 91 7.626 -5.849 -8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.690 -4.840 -10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.393 -4.428 -10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.108 -7.068 -10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.254 -6.126 -11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.923 -8.888 -9.904 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.637 -9.143 -9.558 1.00 0.00 H new ATOM 1377 N VAL A 92 7.459 -3.440 -7.235 1.00 0.00 N ATOM 1378 CA VAL A 92 7.337 -2.204 -6.487 1.00 0.00 C ATOM 1379 C VAL A 92 8.445 -1.290 -6.995 1.00 0.00 C ATOM 1380 O VAL A 92 9.583 -1.729 -7.152 1.00 0.00 O ATOM 1381 CB VAL A 92 7.356 -2.515 -4.972 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.651 -3.184 -4.506 1.00 0.00 C ATOM 1383 CG2 VAL A 92 7.115 -1.251 -4.138 1.00 0.00 C ATOM 0 H VAL A 92 8.419 -3.774 -7.325 1.00 0.00 H new ATOM 0 HA VAL A 92 6.391 -1.683 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 92 6.542 -3.222 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.597 -3.374 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.784 -4.127 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.496 -2.528 -4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.135 -1.505 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.896 -0.521 -4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.143 -0.828 -4.392 1.00 0.00 H new ATOM 1393 N ASP A 93 8.116 -0.029 -7.261 1.00 0.00 N ATOM 1394 CA ASP A 93 9.007 0.897 -7.936 1.00 0.00 C ATOM 1395 C ASP A 93 8.833 2.263 -7.296 1.00 0.00 C ATOM 1396 O ASP A 93 7.929 3.020 -7.639 1.00 0.00 O ATOM 1397 CB ASP A 93 8.720 0.896 -9.446 1.00 0.00 C ATOM 1398 CG ASP A 93 9.762 0.054 -10.175 1.00 0.00 C ATOM 1399 OD1 ASP A 93 10.951 0.448 -10.123 1.00 0.00 O ATOM 1400 OD2 ASP A 93 9.388 -0.968 -10.792 1.00 0.00 O ATOM 0 H ASP A 93 7.215 0.378 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 93 10.050 0.600 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.723 0.499 -9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.734 1.917 -9.828 1.00 0.00 H new ATOM 1405 N LEU A 94 9.647 2.562 -6.288 1.00 0.00 N ATOM 1406 CA LEU A 94 9.691 3.868 -5.645 1.00 0.00 C ATOM 1407 C LEU A 94 10.836 4.636 -6.282 1.00 0.00 C ATOM 1408 O LEU A 94 12.009 4.304 -6.085 1.00 0.00 O ATOM 1409 CB LEU A 94 9.801 3.697 -4.124 1.00 0.00 C ATOM 1410 CG LEU A 94 9.713 4.909 -3.185 1.00 0.00 C ATOM 1411 CD1 LEU A 94 11.077 5.300 -2.616 1.00 0.00 C ATOM 1412 CD2 LEU A 94 8.920 6.093 -3.717 1.00 0.00 C ATOM 0 H LEU A 94 10.305 1.892 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 94 8.778 4.445 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.017 3.002 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 94 10.754 3.208 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 94 9.106 4.561 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.963 6.162 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.489 4.464 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.753 5.554 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.920 6.893 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.376 6.452 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.894 5.784 -3.916 1.00 0.00 H new ATOM 1424 N THR A 95 10.474 5.646 -7.066 1.00 0.00 N ATOM 1425 CA THR A 95 11.388 6.686 -7.541 1.00 0.00 C ATOM 1426 C THR A 95 11.776 7.571 -6.339 1.00 0.00 C ATOM 1427 O THR A 95 11.615 7.150 -5.196 1.00 0.00 O ATOM 1428 CB THR A 95 10.812 7.487 -8.729 1.00 0.00 C ATOM 1429 OG1 THR A 95 9.864 6.776 -9.505 1.00 0.00 O ATOM 1430 CG2 THR A 95 11.972 7.892 -9.647 1.00 0.00 C ATOM 0 H THR A 95 9.517 5.770 -7.398 1.00 0.00 H new ATOM 0 HA THR A 95 12.289 6.224 -7.945 1.00 0.00 H new ATOM 0 HB THR A 95 10.291 8.344 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.544 7.347 -10.235 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.585 8.460 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.679 8.507 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.478 6.997 -10.011 1.00 0.00 H new ATOM 1438 N ALA A 96 12.332 8.773 -6.521 1.00 0.00 N ATOM 1439 CA ALA A 96 12.729 9.603 -5.386 1.00 0.00 C ATOM 1440 C ALA A 96 11.571 9.900 -4.421 1.00 0.00 C ATOM 1441 O ALA A 96 11.813 10.173 -3.246 1.00 0.00 O ATOM 1442 CB ALA A 96 13.346 10.906 -5.895 1.00 0.00 C ATOM 0 H ALA A 96 12.515 9.187 -7.435 1.00 0.00 H new ATOM 0 HA ALA A 96 13.466 9.037 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.642 11.524 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.222 10.681 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.615 11.444 -6.498 1.00 0.00 H new ATOM 1448 N ASN A 97 10.325 9.919 -4.906 1.00 0.00 N ATOM 1449 CA ASN A 97 9.166 10.413 -4.166 1.00 0.00 C ATOM 1450 C ASN A 97 7.831 10.037 -4.833 1.00 0.00 C ATOM 1451 O ASN A 97 6.803 10.619 -4.470 1.00 0.00 O ATOM 1452 CB ASN A 97 9.279 11.940 -3.969 1.00 0.00 C ATOM 1453 CG ASN A 97 9.539 12.696 -5.268 1.00 0.00 C ATOM 1454 OD1 ASN A 97 9.247 12.218 -6.361 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.125 13.874 -5.187 1.00 0.00 N ATOM 0 H ASN A 97 10.093 9.585 -5.841 1.00 0.00 H new ATOM 0 HA ASN A 97 9.167 9.925 -3.191 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.358 12.311 -3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.085 12.150 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.340 14.396 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 97 10.364 14.263 -4.275 1.00 0.00 H new ATOM 1462 N GLN A 98 7.780 9.043 -5.731 1.00 0.00 N ATOM 1463 CA GLN A 98 6.542 8.463 -6.270 1.00 0.00 C ATOM 1464 C GLN A 98 6.654 6.939 -6.159 1.00 0.00 C ATOM 1465 O GLN A 98 7.636 6.389 -6.655 1.00 0.00 O ATOM 1466 CB GLN A 98 6.347 8.853 -7.743 1.00 0.00 C ATOM 1467 CG GLN A 98 4.888 8.630 -8.175 1.00 0.00 C ATOM 1468 CD GLN A 98 4.715 8.360 -9.662 1.00 0.00 C ATOM 1469 OE1 GLN A 98 4.123 9.154 -10.394 1.00 0.00 O ATOM 1470 NE2 GLN A 98 5.217 7.239 -10.149 1.00 0.00 N ATOM 0 H GLN A 98 8.621 8.609 -6.112 1.00 0.00 H new ATOM 0 HA GLN A 98 5.687 8.838 -5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.618 9.899 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 98 7.012 8.262 -8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.479 7.790 -7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.302 9.509 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.705 6.589 -9.533 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.116 7.024 -11.141 1.00 0.00 H new ATOM 1479 N LEU A 99 5.706 6.263 -5.504 1.00 0.00 N ATOM 1480 CA LEU A 99 5.586 4.808 -5.504 1.00 0.00 C ATOM 1481 C LEU A 99 4.773 4.363 -6.718 1.00 0.00 C ATOM 1482 O LEU A 99 3.714 4.928 -6.998 1.00 0.00 O ATOM 1483 CB LEU A 99 4.819 4.353 -4.249 1.00 0.00 C ATOM 1484 CG LEU A 99 4.945 2.866 -3.857 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.397 2.431 -3.665 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.175 2.565 -2.566 1.00 0.00 C ATOM 0 H LEU A 99 4.986 6.725 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 99 6.586 4.376 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.158 4.956 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.763 4.577 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 99 4.518 2.304 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.428 1.377 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.947 2.580 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.853 3.026 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.283 1.510 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.574 3.173 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.120 2.798 -2.709 1.00 0.00 H new ATOM 1498 N THR A 100 5.189 3.275 -7.344 1.00 0.00 N ATOM 1499 CA THR A 100 4.488 2.571 -8.398 1.00 0.00 C ATOM 1500 C THR A 100 4.311 1.120 -7.932 1.00 0.00 C ATOM 1501 O THR A 100 5.276 0.466 -7.533 1.00 0.00 O ATOM 1502 CB THR A 100 5.313 2.729 -9.692 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.206 4.059 -10.180 1.00 0.00 O ATOM 1504 CG2 THR A 100 4.903 1.778 -10.813 1.00 0.00 C ATOM 0 H THR A 100 6.080 2.835 -7.114 1.00 0.00 H new ATOM 0 HA THR A 100 3.494 2.964 -8.610 1.00 0.00 H new ATOM 0 HB THR A 100 6.338 2.483 -9.413 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.734 4.150 -11.000 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.531 1.953 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.025 0.748 -10.479 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.860 1.953 -11.075 1.00 0.00 H new ATOM 1512 N LEU A 101 3.068 0.635 -7.948 1.00 0.00 N ATOM 1513 CA LEU A 101 2.655 -0.757 -7.795 1.00 0.00 C ATOM 1514 C LEU A 101 2.044 -1.164 -9.130 1.00 0.00 C ATOM 1515 O LEU A 101 1.245 -0.385 -9.644 1.00 0.00 O ATOM 1516 CB LEU A 101 1.563 -0.801 -6.707 1.00 0.00 C ATOM 1517 CG LEU A 101 2.015 -1.222 -5.305 1.00 0.00 C ATOM 1518 CD1 LEU A 101 2.004 -2.746 -5.187 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.375 -0.666 -4.888 1.00 0.00 C ATOM 0 H LEU A 101 2.266 1.252 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 101 3.480 -1.414 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.110 0.188 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.782 -1.487 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 101 1.295 -0.784 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.327 -3.036 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.995 -3.117 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.683 -3.173 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.617 -1.013 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.138 -1.011 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.341 0.423 -4.897 1.00 0.00 H new ATOM 1531 N ALA A 102 2.357 -2.342 -9.678 1.00 0.00 N ATOM 1532 CA ALA A 102 1.804 -2.830 -10.942 1.00 0.00 C ATOM 1533 C ALA A 102 1.885 -4.361 -11.033 1.00 0.00 C ATOM 1534 O ALA A 102 2.837 -4.919 -11.578 1.00 0.00 O ATOM 1535 CB ALA A 102 2.558 -2.175 -12.108 1.00 0.00 C ATOM 0 H ALA A 102 3.013 -2.993 -9.247 1.00 0.00 H new ATOM 0 HA ALA A 102 0.749 -2.559 -10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.150 -2.535 -13.053 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.444 -1.092 -12.052 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.616 -2.432 -12.048 1.00 0.00 H new ATOM 1541 N THR A 103 0.918 -5.041 -10.429 1.00 0.00 N ATOM 1542 CA THR A 103 0.790 -6.494 -10.387 1.00 0.00 C ATOM 1543 C THR A 103 -0.209 -6.972 -11.443 1.00 0.00 C ATOM 1544 O THR A 103 -0.952 -6.168 -12.017 1.00 0.00 O ATOM 1545 CB THR A 103 0.342 -6.926 -8.973 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.625 -5.942 -7.990 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.010 -8.219 -8.517 1.00 0.00 C ATOM 0 H THR A 103 0.163 -4.571 -9.930 1.00 0.00 H new ATOM 0 HA THR A 103 1.755 -6.950 -10.609 1.00 0.00 H new ATOM 0 HB THR A 103 -0.735 -7.071 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.088 -6.359 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.660 -8.477 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.757 -9.023 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.091 -8.083 -8.499 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.289 -8.292 -11.645 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.240 -8.907 -12.565 1.00 0.00 C ATOM 1557 C ALA A 104 -2.685 -8.524 -12.245 1.00 0.00 C ATOM 1558 O ALA A 104 -3.494 -8.455 -13.173 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.066 -10.425 -12.574 1.00 0.00 C ATOM 0 H ALA A 104 0.311 -8.965 -11.169 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.025 -8.523 -13.562 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.782 -10.869 -13.265 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.053 -10.673 -12.892 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.238 -10.817 -11.572 1.00 0.00 H new ATOM 1565 N LYS A 105 -3.018 -8.221 -10.982 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.278 -7.553 -10.675 1.00 0.00 C ATOM 1567 C LYS A 105 -4.373 -6.206 -11.397 1.00 0.00 C ATOM 1568 O LYS A 105 -5.082 -6.111 -12.400 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.518 -7.460 -9.152 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.208 -8.722 -8.605 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.703 -8.782 -8.974 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.237 -10.218 -8.898 1.00 0.00 C ATOM 1573 NZ LYS A 105 -8.690 -10.270 -9.177 1.00 0.00 N ATOM 0 H LYS A 105 -2.436 -8.427 -10.170 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.096 -8.163 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.566 -7.316 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.132 -6.586 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.705 -9.606 -8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.103 -8.749 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.273 -8.143 -8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.848 -8.390 -9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.705 -10.844 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.040 -10.629 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.020 -11.255 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.199 -9.692 -8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.874 -9.900 -10.132 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.743 -5.151 -10.874 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.855 -3.775 -11.364 1.00 0.00 C ATOM 1589 C GLN A 106 -2.620 -2.968 -10.936 1.00 0.00 C ATOM 1590 O GLN A 106 -1.647 -3.528 -10.435 1.00 0.00 O ATOM 1591 CB GLN A 106 -5.164 -3.132 -10.847 1.00 0.00 C ATOM 1592 CG GLN A 106 -6.398 -3.527 -11.671 1.00 0.00 C ATOM 1593 CD GLN A 106 -7.445 -2.422 -11.679 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.786 -1.883 -12.729 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -7.952 -2.040 -10.526 1.00 0.00 N ATOM 0 H GLN A 106 -3.120 -5.234 -10.071 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.895 -3.777 -12.453 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.320 -3.425 -9.809 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.058 -2.047 -10.860 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.096 -3.750 -12.694 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.833 -4.438 -11.261 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.658 -2.498 -9.663 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.639 -1.286 -10.495 1.00 0.00 H new ATOM 1604 N THR A 107 -2.653 -1.650 -11.130 1.00 0.00 N ATOM 1605 CA THR A 107 -1.564 -0.717 -10.896 1.00 0.00 C ATOM 1606 C THR A 107 -2.102 0.451 -10.055 1.00 0.00 C ATOM 1607 O THR A 107 -3.261 0.847 -10.216 1.00 0.00 O ATOM 1608 CB THR A 107 -0.925 -0.359 -12.259 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.049 0.658 -12.189 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.940 0.073 -13.318 1.00 0.00 C ATOM 0 H THR A 107 -3.492 -1.183 -11.475 1.00 0.00 H new ATOM 0 HA THR A 107 -0.746 -1.133 -10.307 1.00 0.00 H new ATOM 0 HB THR A 107 -0.455 -1.299 -12.549 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.600 0.528 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.419 0.308 -14.246 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.649 -0.736 -13.494 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.476 0.955 -12.969 1.00 0.00 H new ATOM 1618 N LEU A 108 -1.297 0.927 -9.098 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.558 1.911 -8.056 1.00 0.00 C ATOM 1620 C LEU A 108 -0.385 2.896 -8.014 1.00 0.00 C ATOM 1621 O LEU A 108 0.748 2.519 -8.330 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.660 1.184 -6.694 1.00 0.00 C ATOM 1623 CG LEU A 108 -3.102 0.991 -6.228 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.920 0.042 -7.089 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -3.179 0.497 -4.780 1.00 0.00 C ATOM 0 H LEU A 108 -0.337 0.588 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.488 2.443 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.175 0.211 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.114 1.754 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.534 1.988 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.930 -0.036 -6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.965 0.423 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.453 -0.943 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.223 0.374 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.664 -0.460 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.705 1.225 -4.122 1.00 0.00 H new ATOM 1637 N THR A 109 -0.642 4.126 -7.565 1.00 0.00 N ATOM 1638 CA THR A 109 0.358 5.201 -7.552 1.00 0.00 C ATOM 1639 C THR A 109 0.245 5.989 -6.235 1.00 0.00 C ATOM 1640 O THR A 109 -0.640 6.837 -6.076 1.00 0.00 O ATOM 1641 CB THR A 109 0.214 6.065 -8.826 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.066 5.233 -9.971 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.432 6.949 -9.081 1.00 0.00 C ATOM 0 H THR A 109 -1.551 4.408 -7.199 1.00 0.00 H new ATOM 0 HA THR A 109 1.370 4.797 -7.579 1.00 0.00 H new ATOM 0 HB THR A 109 -0.662 6.693 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.026 5.791 -10.771 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.274 7.533 -9.988 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.576 7.623 -8.236 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.317 6.324 -9.201 1.00 0.00 H new ATOM 1651 N TYR A 110 1.092 5.650 -5.255 1.00 0.00 N ATOM 1652 CA TYR A 110 1.059 6.223 -3.908 1.00 0.00 C ATOM 1653 C TYR A 110 2.106 7.324 -3.764 1.00 0.00 C ATOM 1654 O TYR A 110 3.129 7.318 -4.449 1.00 0.00 O ATOM 1655 CB TYR A 110 1.410 5.162 -2.851 1.00 0.00 C ATOM 1656 CG TYR A 110 0.444 4.032 -2.562 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.389 2.923 -3.429 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.229 3.984 -1.327 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -0.313 1.767 -3.050 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.967 2.847 -0.956 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.992 1.724 -1.812 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.655 0.596 -1.439 1.00 0.00 O ATOM 0 H TYR A 110 1.831 4.958 -5.380 1.00 0.00 H new ATOM 0 HA TYR A 110 0.051 6.610 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.357 4.711 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.586 5.686 -1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.887 2.962 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.178 4.830 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.334 0.909 -3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.511 2.832 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.066 0.734 -0.560 1.00 0.00 H new ATOM 1672 N LYS A 111 1.882 8.243 -2.827 1.00 0.00 N ATOM 1673 CA LYS A 111 2.651 9.469 -2.635 1.00 0.00 C ATOM 1674 C LYS A 111 3.366 9.393 -1.295 1.00 0.00 C ATOM 1675 O LYS A 111 2.777 8.906 -0.331 1.00 0.00 O ATOM 1676 CB LYS A 111 1.638 10.619 -2.617 1.00 0.00 C ATOM 1677 CG LYS A 111 2.089 12.009 -3.082 1.00 0.00 C ATOM 1678 CD LYS A 111 3.187 12.689 -2.256 1.00 0.00 C ATOM 1679 CE LYS A 111 3.075 14.219 -2.266 1.00 0.00 C ATOM 1680 NZ LYS A 111 2.720 14.808 -3.576 1.00 0.00 N ATOM 0 H LYS A 111 1.125 8.148 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 111 3.392 9.613 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.791 10.323 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.268 10.717 -1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.439 11.926 -4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.217 12.663 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.136 12.332 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.162 12.398 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.325 14.519 -1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.026 14.641 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.928 15.827 -3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.276 14.348 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.706 14.663 -3.758 1.00 0.00 H new ATOM 1694 N LEU A 112 4.572 9.957 -1.221 1.00 0.00 N ATOM 1695 CA LEU A 112 5.425 10.103 -0.044 1.00 0.00 C ATOM 1696 C LEU A 112 4.858 11.231 0.828 1.00 0.00 C ATOM 1697 O LEU A 112 5.469 12.291 0.996 1.00 0.00 O ATOM 1698 CB LEU A 112 6.866 10.381 -0.532 1.00 0.00 C ATOM 1699 CG LEU A 112 7.934 10.500 0.576 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.084 9.236 1.422 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.273 10.818 -0.105 1.00 0.00 C ATOM 0 H LEU A 112 5.012 10.355 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 112 5.449 9.201 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.161 9.581 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.863 11.305 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 112 7.620 11.287 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.852 9.394 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.135 9.009 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.372 8.402 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.053 10.909 0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.530 10.015 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.188 11.756 -0.654 1.00 0.00 H new ATOM 1713 N ALA A 113 3.625 11.060 1.297 1.00 0.00 N ATOM 1714 CA ALA A 113 2.958 11.995 2.179 1.00 0.00 C ATOM 1715 C ALA A 113 3.232 11.513 3.592 1.00 0.00 C ATOM 1716 O ALA A 113 2.563 10.602 4.074 1.00 0.00 O ATOM 1717 CB ALA A 113 1.464 12.069 1.860 1.00 0.00 C ATOM 0 H ALA A 113 3.054 10.247 1.065 1.00 0.00 H new ATOM 0 HA ALA A 113 3.331 13.011 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 113 0.983 12.777 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.328 12.399 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.015 11.084 1.988 1.00 0.00 H new ATOM 1723 N ASP A 114 4.271 12.070 4.209 1.00 0.00 N ATOM 1724 CA ASP A 114 4.686 11.706 5.558 1.00 0.00 C ATOM 1725 C ASP A 114 4.829 12.935 6.432 1.00 0.00 C ATOM 1726 O ASP A 114 5.822 13.115 7.133 1.00 0.00 O ATOM 1727 CB ASP A 114 5.973 10.882 5.529 1.00 0.00 C ATOM 1728 CG ASP A 114 6.191 10.140 6.852 1.00 0.00 C ATOM 1729 OD1 ASP A 114 5.306 10.130 7.734 1.00 0.00 O ATOM 1730 OD2 ASP A 114 7.217 9.426 6.943 1.00 0.00 O ATOM 0 H ASP A 114 4.852 12.792 3.782 1.00 0.00 H new ATOM 0 HA ASP A 114 3.907 11.082 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.929 10.164 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.822 11.537 5.333 1.00 0.00 H new