USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 66 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 122 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Set 2.1: A 84 ASN : amide:sc= 1.23 K(o=2.2,f=-2.2) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 170:sc= 0.93 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -23:sc= -0.682 USER MOD Set 3.2: A 62 CYS SG : rot -143:sc= 0.48 USER MOD Single : A 3 GLN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.631 K(o=0.63,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.414 K(o=0.41,f=-2.3!) USER MOD Single : A 11 TYR OH : rot 167:sc= 0.0233 USER MOD Single : A 14 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.38) USER MOD Single : A 16 LYS NZ :NH3+ -143:sc= -0.135 (180deg=-1.67!) USER MOD Single : A 17 GLN : amide:sc= -0.0371 K(o=-0.037,f=-2.6!) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= -0.0044 (180deg=-0.105) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 0.808 (180deg=0.784) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.977 (180deg=0.587) USER MOD Single : A 41 THR OG1 : rot 86:sc= 0.149 USER MOD Single : A 47 GLN : amide:sc= -0.061 K(o=-0.061,f=-0.98) USER MOD Single : A 50 THR OG1 : rot 70:sc= 0.552 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 68 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.062) USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= 0.933 (180deg=0.614) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc=-0.00515 (180deg=-0.15) USER MOD Single : A 96 ASN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Single : A 98 GLN : amide:sc= 0.266 K(o=0.27,f=-4.6!) USER MOD Single : A 100 MET CE :methyl 170:sc= 0 (180deg=-0.0393) USER MOD Single : A 105 GLN : amide:sc= 0.483 K(o=0.48,f=-2.5) USER MOD Single : A 106 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 0.259 (180deg=0.256) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.816 K(o=0.82,f=-0.44) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.547 K(o=0.55,f=-5.9!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 120 HIS : no HE2:sc= 0.385 K(o=0.39,f=-2.4!) USER MOD Single : A 121 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 123 HIS : no HE2:sc= 0.973 K(o=0.97,f=-4.2!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= -1.58! K(o=-1.6!,f=-0.52) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.137 0.817 1.035 1.00 25.00 C HETATM 2 O1 MYR A 1 -1.027 1.153 0.925 1.00 25.00 O HETATM 3 C2 MYR A 1 0.902 0.086 -0.060 1.00 25.00 C HETATM 4 C3 MYR A 1 0.507 -1.416 -0.179 1.00 25.00 C HETATM 5 C4 MYR A 1 0.757 -2.204 1.141 1.00 25.00 C HETATM 6 C5 MYR A 1 0.445 -3.729 0.987 1.00 25.00 C HETATM 7 C6 MYR A 1 -0.119 -4.360 2.300 1.00 25.00 C HETATM 8 C7 MYR A 1 0.960 -4.529 3.423 1.00 25.00 C HETATM 9 C8 MYR A 1 0.394 -4.313 4.857 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.462 -5.507 5.368 1.00 25.00 C HETATM 11 C10 MYR A 1 -1.202 -5.145 6.674 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.010 -6.346 7.234 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.003 -5.928 8.361 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.335 -5.352 7.799 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.270 -4.894 8.932 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.504 -5.742 9.576 1.00 25.00 H new HETATM 0 H142 MYR A 1 -4.778 -4.118 9.519 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.191 -4.497 8.505 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.120 -4.511 7.140 1.00 25.00 H new HETATM 0 H131 MYR A 1 -4.835 -6.110 7.196 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.221 -6.793 8.988 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.529 -5.182 9.000 1.00 25.00 H new HETATM 0 H112 MYR A 1 -2.565 -6.816 6.422 1.00 25.00 H new HETATM 0 H111 MYR A 1 -1.319 -7.094 7.623 1.00 25.00 H new HETATM 0 H102 MYR A 1 -0.480 -4.814 7.420 1.00 25.00 H new HETATM 0 H101 MYR A 1 -1.876 -4.309 6.489 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.185 -5.792 4.604 1.00 25.00 H new HETATM 0 H91 MYR A 1 0.180 -6.371 5.538 1.00 25.00 H new HETATM 0 H82 MYR A 1 1.222 -4.148 5.546 1.00 25.00 H new HETATM 0 H81 MYR A 1 -0.214 -3.408 4.867 1.00 25.00 H new HETATM 0 H72 MYR A 1 1.391 -5.528 3.356 1.00 25.00 H new HETATM 0 H71 MYR A 1 1.770 -3.821 3.249 1.00 25.00 H new HETATM 0 H62 MYR A 1 -0.929 -3.735 2.676 1.00 25.00 H new HETATM 0 H61 MYR A 1 -0.549 -5.335 2.070 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.276 -3.870 0.181 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.354 -4.255 0.696 1.00 25.00 H new HETATM 0 H42 MYR A 1 1.795 -2.076 1.447 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.137 -1.786 1.934 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.546 -1.491 -0.449 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.077 -1.876 -0.986 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.721 0.580 -1.014 1.00 25.00 H new HETATM 0 H21 MYR A 1 1.971 0.160 0.140 1.00 25.00 H new ATOM 43 N GLY A 2 0.858 1.108 2.135 1.00 25.00 N ATOM 44 CA GLY A 2 0.343 1.824 3.293 1.00 25.00 C ATOM 45 C GLY A 2 -0.038 3.244 2.931 1.00 25.00 C ATOM 46 O GLY A 2 -1.032 3.774 3.424 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.527 1.301 3.691 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.096 1.836 4.081 1.00 25.00 H new ATOM 50 N GLN A 3 0.724 3.856 2.036 1.00 25.00 N ATOM 51 CA GLN A 3 0.432 5.221 1.597 1.00 25.00 C ATOM 52 C GLN A 3 -0.852 5.264 0.771 1.00 25.00 C ATOM 53 O GLN A 3 -1.556 6.265 0.756 1.00 25.00 O ATOM 54 CB GLN A 3 1.598 5.783 0.779 1.00 25.00 C ATOM 55 CG GLN A 3 2.876 5.964 1.594 1.00 25.00 C ATOM 56 CD GLN A 3 3.953 6.686 0.815 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.907 7.896 0.660 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.924 5.959 0.335 1.00 25.00 N ATOM 0 H GLN A 3 1.545 3.436 1.600 1.00 25.00 H new ATOM 0 HA GLN A 3 0.294 5.837 2.485 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.801 5.115 -0.058 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.306 6.744 0.356 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.650 6.523 2.502 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.248 4.988 1.905 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.928 4.950 0.485 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.679 6.399 -0.190 1.00 25.00 H new ATOM 67 N GLU A 4 -1.179 4.167 0.109 1.00 25.00 N ATOM 68 CA GLU A 4 -2.428 4.084 -0.643 1.00 25.00 C ATOM 69 C GLU A 4 -3.600 3.834 0.318 1.00 25.00 C ATOM 70 O GLU A 4 -4.695 4.388 0.166 1.00 25.00 O ATOM 71 CB GLU A 4 -2.334 2.967 -1.682 1.00 25.00 C ATOM 72 CG GLU A 4 -3.623 2.773 -2.415 1.00 25.00 C ATOM 73 CD GLU A 4 -3.518 1.856 -3.612 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.453 1.251 -3.845 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.540 1.733 -4.321 1.00 25.00 O ATOM 0 H GLU A 4 -0.604 3.325 0.074 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.601 5.027 -1.162 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.543 3.201 -2.395 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.054 2.036 -1.189 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -4.364 2.369 -1.725 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.991 3.744 -2.746 1.00 25.00 H new ATOM 82 N LEU A 5 -3.359 3.015 1.324 1.00 25.00 N ATOM 83 CA LEU A 5 -4.366 2.689 2.327 1.00 25.00 C ATOM 84 C LEU A 5 -4.777 3.901 3.167 1.00 25.00 C ATOM 85 O LEU A 5 -5.949 4.055 3.490 1.00 25.00 O ATOM 86 CB LEU A 5 -3.816 1.581 3.227 1.00 25.00 C ATOM 87 CG LEU A 5 -4.299 0.152 2.916 1.00 25.00 C ATOM 88 CD1 LEU A 5 -4.270 -0.210 1.444 1.00 25.00 C ATOM 89 CD2 LEU A 5 -3.451 -0.847 3.703 1.00 25.00 C ATOM 0 H LEU A 5 -2.461 2.555 1.473 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.265 2.354 1.810 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.728 1.597 3.164 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.079 1.815 4.259 1.00 25.00 H new ATOM 0 HG LEU A 5 -5.346 0.110 3.216 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -4.625 -1.232 1.314 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -4.914 0.472 0.889 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.249 -0.130 1.070 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -3.789 -1.861 3.487 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -2.405 -0.743 3.414 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -3.554 -0.650 4.770 1.00 25.00 H new ATOM 101 N SER A 6 -3.836 4.784 3.477 1.00 25.00 N ATOM 102 CA SER A 6 -4.129 5.998 4.253 1.00 25.00 C ATOM 103 C SER A 6 -4.996 7.019 3.512 1.00 25.00 C ATOM 104 O SER A 6 -5.517 7.937 4.138 1.00 25.00 O ATOM 105 CB SER A 6 -2.824 6.683 4.655 1.00 25.00 C ATOM 106 OG SER A 6 -2.091 7.059 3.508 1.00 25.00 O ATOM 0 H SER A 6 -2.858 4.688 3.205 1.00 25.00 H new ATOM 0 HA SER A 6 -4.694 5.662 5.122 1.00 25.00 H new ATOM 0 HB2 SER A 6 -3.040 7.563 5.261 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.228 6.010 5.271 1.00 25.00 H new ATOM 0 HG SER A 6 -1.258 7.498 3.781 1.00 25.00 H new ATOM 112 N GLN A 7 -5.165 6.862 2.203 1.00 25.00 N ATOM 113 CA GLN A 7 -6.009 7.770 1.418 1.00 25.00 C ATOM 114 C GLN A 7 -7.251 7.057 0.866 1.00 25.00 C ATOM 115 O GLN A 7 -8.134 7.682 0.291 1.00 25.00 O ATOM 116 CB GLN A 7 -5.191 8.421 0.295 1.00 25.00 C ATOM 117 CG GLN A 7 -4.567 7.445 -0.684 1.00 25.00 C ATOM 118 CD GLN A 7 -3.674 8.125 -1.693 1.00 25.00 C ATOM 119 OE1 GLN A 7 -4.136 8.824 -2.575 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.392 7.914 -1.572 1.00 25.00 N ATOM 0 H GLN A 7 -4.731 6.116 1.659 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.366 8.557 2.082 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.837 9.105 -0.256 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.399 9.022 0.742 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.988 6.704 -0.133 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.357 6.907 -1.208 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -2.041 7.322 -0.819 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.740 8.341 -2.230 1.00 25.00 H new ATOM 129 N HIS A 8 -7.355 5.756 1.103 1.00 25.00 N ATOM 130 CA HIS A 8 -8.573 5.013 0.763 1.00 25.00 C ATOM 131 C HIS A 8 -9.503 5.175 1.953 1.00 25.00 C ATOM 132 O HIS A 8 -9.403 4.414 2.902 1.00 25.00 O ATOM 133 CB HIS A 8 -8.274 3.522 0.551 1.00 25.00 C ATOM 134 CG HIS A 8 -8.016 3.155 -0.877 1.00 25.00 C ATOM 135 ND1 HIS A 8 -6.841 3.474 -1.556 1.00 25.00 N ATOM 136 CD2 HIS A 8 -8.767 2.478 -1.789 1.00 25.00 C ATOM 137 CE1 HIS A 8 -6.920 3.000 -2.796 1.00 25.00 C ATOM 138 NE2 HIS A 8 -8.066 2.399 -2.954 1.00 25.00 N ATOM 0 H HIS A 8 -6.619 5.191 1.526 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.009 5.390 -0.162 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.406 3.246 1.150 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -9.115 2.936 0.921 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -6.050 3.987 -1.166 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -9.753 2.072 -1.617 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -6.156 3.098 -3.553 1.00 25.00 H new ATOM 146 N GLU A 9 -10.372 6.175 1.934 1.00 25.00 N ATOM 147 CA GLU A 9 -11.188 6.489 3.115 1.00 25.00 C ATOM 148 C GLU A 9 -11.987 5.301 3.667 1.00 25.00 C ATOM 149 O GLU A 9 -12.075 5.136 4.869 1.00 25.00 O ATOM 150 CB GLU A 9 -12.113 7.678 2.847 1.00 25.00 C ATOM 151 CG GLU A 9 -12.666 8.271 4.148 1.00 25.00 C ATOM 152 CD GLU A 9 -13.394 9.590 3.954 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.955 10.403 3.116 1.00 25.00 O ATOM 154 OE2 GLU A 9 -14.338 9.853 4.731 1.00 25.00 O ATOM 0 H GLU A 9 -10.535 6.780 1.129 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.472 6.754 3.893 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.568 8.447 2.300 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.940 7.360 2.212 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -13.348 7.553 4.604 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.844 8.419 4.848 1.00 25.00 H new ATOM 161 N ARG A 10 -12.462 4.417 2.799 1.00 25.00 N ATOM 162 CA ARG A 10 -13.162 3.196 3.238 1.00 25.00 C ATOM 163 C ARG A 10 -12.296 2.351 4.193 1.00 25.00 C ATOM 164 O ARG A 10 -12.786 1.817 5.185 1.00 25.00 O ATOM 165 CB ARG A 10 -13.556 2.383 1.998 1.00 25.00 C ATOM 166 CG ARG A 10 -14.476 1.187 2.253 1.00 25.00 C ATOM 167 CD ARG A 10 -14.819 0.524 0.915 1.00 25.00 C ATOM 168 NE ARG A 10 -15.460 -0.798 1.053 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.833 -1.971 0.969 1.00 25.00 C ATOM 170 NH1 ARG A 10 -13.544 -2.070 0.794 1.00 25.00 N ATOM 171 NH2 ARG A 10 -15.518 -3.075 1.051 1.00 25.00 N ATOM 0 H ARG A 10 -12.380 4.514 1.787 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.054 3.482 3.795 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -14.046 3.050 1.289 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.646 2.022 1.519 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -13.987 0.471 2.913 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.387 1.513 2.755 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.482 1.182 0.353 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.906 0.416 0.329 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.465 -0.815 1.227 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -12.974 -1.228 0.716 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -13.106 -2.990 0.735 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -16.529 -3.039 1.179 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -15.043 -3.976 0.987 1.00 25.00 H new ATOM 185 N TYR A 11 -11.000 2.269 3.920 1.00 25.00 N ATOM 186 CA TYR A 11 -10.076 1.550 4.790 1.00 25.00 C ATOM 187 C TYR A 11 -9.741 2.381 6.027 1.00 25.00 C ATOM 188 O TYR A 11 -9.664 1.865 7.149 1.00 25.00 O ATOM 189 CB TYR A 11 -8.798 1.254 4.012 1.00 25.00 C ATOM 190 CG TYR A 11 -7.813 0.439 4.794 1.00 25.00 C ATOM 191 CD1 TYR A 11 -7.985 -0.948 4.933 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.700 1.043 5.402 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.067 -1.718 5.677 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.773 0.268 6.135 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.970 -1.104 6.272 1.00 25.00 C ATOM 196 OH TYR A 11 -5.077 -1.847 6.995 1.00 25.00 O ATOM 0 H TYR A 11 -10.563 2.692 3.101 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.543 0.621 5.117 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.052 0.724 3.094 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.332 2.194 3.718 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.830 -1.431 4.465 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.551 2.109 5.309 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.216 -2.782 5.784 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.913 0.739 6.588 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.271 -1.316 7.164 1.00 25.00 H new ATOM 206 N VAL A 12 -9.570 3.680 5.817 1.00 25.00 N ATOM 207 CA VAL A 12 -9.260 4.617 6.897 1.00 25.00 C ATOM 208 C VAL A 12 -10.359 4.563 7.952 1.00 25.00 C ATOM 209 O VAL A 12 -10.063 4.609 9.129 1.00 25.00 O ATOM 210 CB VAL A 12 -9.111 6.077 6.351 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.880 7.098 7.473 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.937 6.161 5.377 1.00 25.00 C ATOM 0 H VAL A 12 -9.641 4.116 4.898 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.310 4.326 7.345 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.048 6.318 5.848 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.783 8.095 7.043 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.725 7.080 8.161 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.967 6.845 8.013 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.845 7.181 5.005 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.018 5.877 5.890 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.109 5.484 4.540 1.00 25.00 H new ATOM 222 N GLU A 13 -11.612 4.422 7.543 1.00 25.00 N ATOM 223 CA GLU A 13 -12.732 4.361 8.484 1.00 25.00 C ATOM 224 C GLU A 13 -12.596 3.253 9.517 1.00 25.00 C ATOM 225 O GLU A 13 -12.788 3.492 10.711 1.00 25.00 O ATOM 226 CB GLU A 13 -14.050 4.192 7.736 1.00 25.00 C ATOM 227 CG GLU A 13 -14.554 5.488 7.152 1.00 25.00 C ATOM 228 CD GLU A 13 -15.914 5.341 6.518 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.051 4.582 5.533 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.854 5.983 7.026 1.00 25.00 O ATOM 0 H GLU A 13 -11.884 4.347 6.563 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.720 5.308 9.023 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.919 3.464 6.936 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.800 3.788 8.415 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -14.601 6.243 7.937 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -13.845 5.848 6.406 1.00 25.00 H new ATOM 237 N GLN A 14 -12.207 2.062 9.095 1.00 25.00 N ATOM 238 CA GLN A 14 -12.007 0.980 10.053 1.00 25.00 C ATOM 239 C GLN A 14 -10.824 1.299 10.947 1.00 25.00 C ATOM 240 O GLN A 14 -10.854 1.045 12.153 1.00 25.00 O ATOM 241 CB GLN A 14 -11.779 -0.355 9.344 1.00 25.00 C ATOM 242 CG GLN A 14 -13.042 -0.919 8.716 1.00 25.00 C ATOM 243 CD GLN A 14 -14.186 -1.030 9.715 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.240 -0.467 9.517 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.971 -1.744 10.792 1.00 25.00 N ATOM 0 H GLN A 14 -12.026 1.819 8.121 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.909 0.890 10.658 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.023 -0.224 8.570 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.382 -1.076 10.059 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.348 -0.282 7.886 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.829 -1.904 8.300 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.071 -2.205 10.927 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.703 -1.839 11.496 1.00 25.00 H new ATOM 254 N LEU A 15 -9.794 1.901 10.378 1.00 25.00 N ATOM 255 CA LEU A 15 -8.625 2.281 11.158 1.00 25.00 C ATOM 256 C LEU A 15 -8.893 3.431 12.134 1.00 25.00 C ATOM 257 O LEU A 15 -8.188 3.537 13.136 1.00 25.00 O ATOM 258 CB LEU A 15 -7.457 2.649 10.250 1.00 25.00 C ATOM 259 CG LEU A 15 -6.716 1.532 9.499 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.436 2.147 8.942 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.357 0.328 10.383 1.00 25.00 C ATOM 0 H LEU A 15 -9.741 2.136 9.387 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.371 1.403 11.752 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.828 3.355 9.507 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.724 3.180 10.857 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.374 1.146 8.720 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.874 1.388 8.398 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.689 2.964 8.267 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.829 2.529 9.763 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.836 -0.420 9.785 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.711 0.655 11.198 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.268 -0.106 10.794 1.00 25.00 H new ATOM 273 N LYS A 16 -9.905 4.263 11.880 1.00 25.00 N ATOM 274 CA LYS A 16 -10.268 5.355 12.808 1.00 25.00 C ATOM 275 C LYS A 16 -10.536 4.710 14.157 1.00 25.00 C ATOM 276 O LYS A 16 -10.114 5.211 15.195 1.00 25.00 O ATOM 277 CB LYS A 16 -11.537 6.122 12.356 1.00 25.00 C ATOM 278 CG LYS A 16 -11.382 7.004 11.094 1.00 25.00 C ATOM 279 CD LYS A 16 -12.750 7.559 10.607 1.00 25.00 C ATOM 280 CE LYS A 16 -12.629 8.238 9.213 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.971 8.670 8.619 1.00 25.00 N ATOM 0 H LYS A 16 -10.490 4.209 11.046 1.00 25.00 H new ATOM 0 HA LYS A 16 -9.455 6.080 12.842 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -12.330 5.397 12.173 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.867 6.755 13.179 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.709 7.834 11.311 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.922 6.420 10.297 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -13.475 6.747 10.555 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -13.130 8.279 11.332 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.982 9.111 9.299 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -12.142 7.548 8.524 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.960 8.518 7.590 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -14.736 8.108 9.044 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -14.130 9.678 8.818 1.00 25.00 H new ATOM 295 N GLN A 17 -11.207 3.569 14.123 1.00 25.00 N ATOM 296 CA GLN A 17 -11.478 2.811 15.334 1.00 25.00 C ATOM 297 C GLN A 17 -10.310 1.912 15.728 1.00 25.00 C ATOM 298 O GLN A 17 -9.969 1.839 16.888 1.00 25.00 O ATOM 299 CB GLN A 17 -12.739 1.957 15.155 1.00 25.00 C ATOM 300 CG GLN A 17 -14.029 2.767 14.973 1.00 25.00 C ATOM 301 CD GLN A 17 -14.612 3.267 16.291 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.898 3.693 17.191 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.912 3.204 16.407 1.00 25.00 N ATOM 0 H GLN A 17 -11.574 3.148 13.270 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.628 3.535 16.135 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.605 1.309 14.289 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.851 1.308 16.024 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.827 3.620 14.325 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.770 2.150 14.466 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -16.476 2.844 15.637 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.363 3.515 17.267 1.00 25.00 H new ATOM 312 N ALA A 18 -9.717 1.197 14.784 1.00 25.00 N ATOM 313 CA ALA A 18 -8.686 0.211 15.122 1.00 25.00 C ATOM 314 C ALA A 18 -7.391 0.805 15.721 1.00 25.00 C ATOM 315 O ALA A 18 -6.829 0.229 16.651 1.00 25.00 O ATOM 316 CB ALA A 18 -8.377 -0.656 13.904 1.00 25.00 C ATOM 0 H ALA A 18 -9.924 1.274 13.788 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.107 -0.399 15.921 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.610 -1.386 14.162 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.282 -1.176 13.588 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -8.018 -0.026 13.090 1.00 25.00 H new ATOM 322 N LEU A 19 -6.931 1.956 15.236 1.00 25.00 N ATOM 323 CA LEU A 19 -5.751 2.597 15.846 1.00 25.00 C ATOM 324 C LEU A 19 -6.138 3.008 17.271 1.00 25.00 C ATOM 325 O LEU A 19 -5.355 2.885 18.215 1.00 25.00 O ATOM 326 CB LEU A 19 -5.298 3.854 15.069 1.00 25.00 C ATOM 327 CG LEU A 19 -4.084 3.737 14.115 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.445 3.130 12.769 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.477 5.124 13.864 1.00 25.00 C ATOM 0 H LEU A 19 -7.337 2.458 14.446 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.921 1.890 15.831 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.147 4.205 14.483 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.072 4.631 15.799 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.371 3.076 14.608 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.554 3.074 12.144 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.847 2.128 12.918 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.193 3.752 12.278 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.624 5.032 13.192 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.227 5.773 13.411 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.149 5.554 14.810 1.00 25.00 H new ATOM 341 N LYS A 20 -7.364 3.497 17.411 1.00 25.00 N ATOM 342 CA LYS A 20 -7.874 3.990 18.691 1.00 25.00 C ATOM 343 C LYS A 20 -8.080 2.884 19.727 1.00 25.00 C ATOM 344 O LYS A 20 -7.764 3.079 20.895 1.00 25.00 O ATOM 345 CB LYS A 20 -9.195 4.733 18.447 1.00 25.00 C ATOM 346 CG LYS A 20 -9.769 5.429 19.669 1.00 25.00 C ATOM 347 CD LYS A 20 -11.088 6.110 19.311 1.00 25.00 C ATOM 348 CE LYS A 20 -11.707 6.808 20.521 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.124 5.820 21.577 1.00 25.00 N ATOM 0 H LYS A 20 -8.034 3.564 16.645 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.121 4.661 19.106 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.039 5.475 17.664 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.931 4.022 18.071 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.929 4.705 20.468 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.060 6.167 20.044 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.919 6.838 18.518 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.786 5.370 18.921 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.989 7.511 20.943 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -12.573 7.389 20.203 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.689 6.305 22.303 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.693 5.066 21.142 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.278 5.405 22.017 1.00 25.00 H new ATOM 363 N THR A 21 -8.605 1.737 19.322 1.00 25.00 N ATOM 364 CA THR A 21 -8.871 0.643 20.264 1.00 25.00 C ATOM 365 C THR A 21 -7.589 0.011 20.777 1.00 25.00 C ATOM 366 O THR A 21 -7.578 -0.559 21.862 1.00 25.00 O ATOM 367 CB THR A 21 -9.722 -0.481 19.632 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.163 -0.853 18.371 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.159 -0.032 19.410 1.00 25.00 C ATOM 0 H THR A 21 -8.856 1.533 18.355 1.00 25.00 H new ATOM 0 HA THR A 21 -9.419 1.103 21.087 1.00 25.00 H new ATOM 0 HB THR A 21 -9.720 -1.327 20.319 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.703 -1.567 17.972 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.730 -0.846 18.964 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.606 0.244 20.365 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.172 0.829 18.741 1.00 25.00 H new ATOM 377 N ARG A 22 -6.494 0.136 20.036 1.00 25.00 N ATOM 378 CA ARG A 22 -5.220 -0.396 20.517 1.00 25.00 C ATOM 379 C ARG A 22 -4.708 0.471 21.669 1.00 25.00 C ATOM 380 O ARG A 22 -3.934 0.010 22.498 1.00 25.00 O ATOM 381 CB ARG A 22 -4.190 -0.488 19.376 1.00 25.00 C ATOM 382 CG ARG A 22 -2.943 -1.332 19.723 1.00 25.00 C ATOM 383 CD ARG A 22 -3.286 -2.813 19.919 1.00 25.00 C ATOM 384 NE ARG A 22 -2.270 -3.534 20.707 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.182 -3.544 22.034 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.971 -2.841 22.810 1.00 25.00 N ATOM 387 NH2 ARG A 22 -1.274 -4.286 22.593 1.00 25.00 N ATOM 0 H ARG A 22 -6.458 0.589 19.123 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.374 -1.410 20.886 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.673 -0.916 18.498 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.871 0.519 19.106 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.206 -1.233 18.926 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.484 -0.943 20.632 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.252 -2.895 20.418 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.389 -3.290 18.944 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.574 -4.072 20.190 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.695 -2.250 22.401 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.861 -2.885 23.823 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -0.646 -4.846 22.016 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -1.189 -4.309 23.609 1.00 25.00 H new ATOM 401 N GLY A 23 -5.184 1.707 21.737 1.00 25.00 N ATOM 402 CA GLY A 23 -4.854 2.586 22.849 1.00 25.00 C ATOM 403 C GLY A 23 -3.481 3.215 22.750 1.00 25.00 C ATOM 404 O GLY A 23 -2.952 3.716 23.738 1.00 25.00 O ATOM 0 H GLY A 23 -5.798 2.122 21.037 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.601 3.377 22.908 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.917 2.019 23.778 1.00 25.00 H new ATOM 408 N VAL A 24 -2.891 3.192 21.565 1.00 25.00 N ATOM 409 CA VAL A 24 -1.546 3.732 21.373 1.00 25.00 C ATOM 410 C VAL A 24 -1.648 5.005 20.539 1.00 25.00 C ATOM 411 O VAL A 24 -2.297 5.027 19.495 1.00 25.00 O ATOM 412 CB VAL A 24 -0.606 2.691 20.692 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.857 3.173 20.732 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.703 1.331 21.406 1.00 25.00 C ATOM 0 H VAL A 24 -3.317 2.807 20.722 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.108 3.963 22.344 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.923 2.583 19.655 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.497 2.433 20.252 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.942 4.123 20.204 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.169 3.305 21.768 1.00 25.00 H new ATOM 0 HG21 VAL A 24 -0.041 0.616 20.918 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.408 1.446 22.449 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.729 0.967 21.357 1.00 25.00 H new ATOM 424 N LYS A 25 -1.038 6.079 21.022 1.00 25.00 N ATOM 425 CA LYS A 25 -1.102 7.383 20.353 1.00 25.00 C ATOM 426 C LYS A 25 -0.165 7.422 19.139 1.00 25.00 C ATOM 427 O LYS A 25 0.969 7.886 19.232 1.00 25.00 O ATOM 428 CB LYS A 25 -0.744 8.488 21.359 1.00 25.00 C ATOM 429 CG LYS A 25 -1.003 9.912 20.862 1.00 25.00 C ATOM 430 CD LYS A 25 -0.566 10.928 21.914 1.00 25.00 C ATOM 431 CE LYS A 25 -0.862 12.358 21.465 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.408 13.359 22.496 1.00 25.00 N ATOM 0 H LYS A 25 -0.488 6.078 21.881 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.116 7.548 19.988 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -1.315 8.327 22.273 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.310 8.395 21.621 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -0.460 10.084 19.933 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.063 10.040 20.641 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.081 10.726 22.853 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.501 10.819 22.106 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -0.361 12.555 20.517 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -1.932 12.473 21.290 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -0.622 14.321 22.164 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.905 13.184 23.392 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 0.617 13.264 22.644 1.00 25.00 H new ATOM 446 N VAL A 26 -0.647 6.931 18.009 1.00 25.00 N ATOM 447 CA VAL A 26 0.133 6.890 16.771 1.00 25.00 C ATOM 448 C VAL A 26 -0.586 7.718 15.711 1.00 25.00 C ATOM 449 O VAL A 26 -1.802 7.627 15.567 1.00 25.00 O ATOM 450 CB VAL A 26 0.293 5.420 16.255 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.247 5.360 15.064 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.825 4.515 17.363 1.00 25.00 C ATOM 0 H VAL A 26 -1.588 6.549 17.918 1.00 25.00 H new ATOM 0 HA VAL A 26 1.126 7.295 16.968 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.692 5.073 15.943 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.341 4.328 14.725 1.00 25.00 H new ATOM 0 HG12 VAL A 26 0.856 5.975 14.253 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.226 5.734 15.363 1.00 25.00 H new ATOM 0 HG21 VAL A 26 0.929 3.498 16.984 1.00 25.00 H new ATOM 0 HG22 VAL A 26 1.797 4.880 17.695 1.00 25.00 H new ATOM 0 HG23 VAL A 26 0.129 4.520 18.202 1.00 25.00 H new ATOM 462 N LYS A 27 0.150 8.534 14.971 1.00 25.00 N ATOM 463 CA LYS A 27 -0.445 9.312 13.884 1.00 25.00 C ATOM 464 C LYS A 27 -0.704 8.338 12.738 1.00 25.00 C ATOM 465 O LYS A 27 0.086 7.439 12.512 1.00 25.00 O ATOM 466 CB LYS A 27 0.519 10.426 13.450 1.00 25.00 C ATOM 467 CG LYS A 27 -0.116 11.524 12.592 1.00 25.00 C ATOM 468 CD LYS A 27 0.909 12.620 12.281 1.00 25.00 C ATOM 469 CE LYS A 27 0.262 13.878 11.678 1.00 25.00 C ATOM 470 NZ LYS A 27 -0.331 13.660 10.309 1.00 25.00 N ATOM 0 H LYS A 27 1.152 8.677 15.098 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.374 9.790 14.196 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.949 10.883 14.341 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.342 9.979 12.893 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.493 11.096 11.663 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.970 11.954 13.115 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.436 12.890 13.196 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.654 12.230 11.587 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -0.520 14.231 12.350 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.011 14.667 11.618 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -0.748 14.549 9.966 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.415 13.352 9.653 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -1.069 12.929 10.363 1.00 25.00 H new ATOM 484 N PHE A 28 -1.776 8.533 11.986 1.00 25.00 N ATOM 485 CA PHE A 28 -2.078 7.658 10.847 1.00 25.00 C ATOM 486 C PHE A 28 -0.905 7.554 9.880 1.00 25.00 C ATOM 487 O PHE A 28 -0.555 6.469 9.435 1.00 25.00 O ATOM 488 CB PHE A 28 -3.278 8.214 10.082 1.00 25.00 C ATOM 489 CG PHE A 28 -4.547 7.465 10.323 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.316 7.702 11.479 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.995 6.521 9.385 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.530 7.008 11.689 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.198 5.827 9.584 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.972 6.074 10.735 1.00 25.00 C ATOM 0 H PHE A 28 -2.452 9.282 12.136 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.289 6.666 11.247 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.424 9.257 10.363 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.055 8.199 9.015 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.976 8.420 12.211 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.407 6.327 8.500 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -7.115 7.194 12.578 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.531 5.103 8.855 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.903 5.547 10.884 1.00 25.00 H new ATOM 504 N ALA A 29 -0.282 8.688 9.591 1.00 25.00 N ATOM 505 CA ALA A 29 0.858 8.726 8.681 1.00 25.00 C ATOM 506 C ALA A 29 2.010 7.863 9.203 1.00 25.00 C ATOM 507 O ALA A 29 2.704 7.220 8.431 1.00 25.00 O ATOM 508 CB ALA A 29 1.323 10.177 8.493 1.00 25.00 C ATOM 0 H ALA A 29 -0.546 9.596 9.973 1.00 25.00 H new ATOM 0 HA ALA A 29 0.545 8.320 7.719 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.174 10.201 7.813 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.508 10.769 8.076 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.617 10.593 9.457 1.00 25.00 H new ATOM 514 N ASP A 30 2.201 7.842 10.513 1.00 25.00 N ATOM 515 CA ASP A 30 3.267 7.045 11.103 1.00 25.00 C ATOM 516 C ASP A 30 2.953 5.569 11.031 1.00 25.00 C ATOM 517 O ASP A 30 3.842 4.767 10.766 1.00 25.00 O ATOM 518 CB ASP A 30 3.493 7.422 12.564 1.00 25.00 C ATOM 519 CG ASP A 30 4.439 8.574 12.709 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.632 8.390 12.377 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.992 9.674 13.092 1.00 25.00 O ATOM 0 H ASP A 30 1.637 8.363 11.184 1.00 25.00 H new ATOM 0 HA ASP A 30 4.169 7.253 10.528 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.538 7.677 13.024 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.886 6.560 13.104 1.00 25.00 H new ATOM 526 N LEU A 31 1.702 5.210 11.280 1.00 25.00 N ATOM 527 CA LEU A 31 1.309 3.805 11.310 1.00 25.00 C ATOM 528 C LEU A 31 1.396 3.192 9.918 1.00 25.00 C ATOM 529 O LEU A 31 2.077 2.190 9.706 1.00 25.00 O ATOM 530 CB LEU A 31 -0.114 3.658 11.883 1.00 25.00 C ATOM 531 CG LEU A 31 -0.664 2.240 12.166 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.379 1.666 10.952 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.413 1.257 12.624 1.00 25.00 C ATOM 0 H LEU A 31 0.944 5.867 11.464 1.00 25.00 H new ATOM 0 HA LEU A 31 1.999 3.267 11.960 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.153 4.219 12.817 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.800 4.145 11.190 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.373 2.365 12.984 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.752 0.669 11.187 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.215 2.312 10.683 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.683 1.605 10.115 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.038 0.282 12.806 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.175 1.166 11.850 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.871 1.622 13.543 1.00 25.00 H new ATOM 545 N LEU A 32 0.723 3.807 8.960 1.00 25.00 N ATOM 546 CA LEU A 32 0.726 3.289 7.586 1.00 25.00 C ATOM 547 C LEU A 32 2.098 3.351 6.923 1.00 25.00 C ATOM 548 O LEU A 32 2.366 2.605 5.992 1.00 25.00 O ATOM 549 CB LEU A 32 -0.284 4.032 6.705 1.00 25.00 C ATOM 550 CG LEU A 32 -1.767 3.616 6.778 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.979 2.103 6.690 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.400 4.154 8.036 1.00 25.00 C ATOM 0 H LEU A 32 0.172 4.655 9.096 1.00 25.00 H new ATOM 0 HA LEU A 32 0.441 2.241 7.674 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.224 5.092 6.953 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.039 3.928 5.669 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.251 4.050 5.903 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.045 1.881 6.748 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.582 1.734 5.744 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.461 1.614 7.516 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.447 3.853 8.074 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.876 3.757 8.905 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.335 5.242 8.039 1.00 25.00 H new ATOM 564 N LYS A 33 2.997 4.180 7.429 1.00 25.00 N ATOM 565 CA LYS A 33 4.373 4.200 6.908 1.00 25.00 C ATOM 566 C LYS A 33 5.022 2.823 7.091 1.00 25.00 C ATOM 567 O LYS A 33 5.765 2.359 6.234 1.00 25.00 O ATOM 568 CB LYS A 33 5.187 5.313 7.592 1.00 25.00 C ATOM 569 CG LYS A 33 6.625 4.943 7.994 1.00 25.00 C ATOM 570 CD LYS A 33 7.457 6.171 8.401 1.00 25.00 C ATOM 571 CE LYS A 33 6.855 6.969 9.568 1.00 25.00 C ATOM 572 NZ LYS A 33 6.717 6.178 10.837 1.00 25.00 N ATOM 0 H LYS A 33 2.814 4.840 8.185 1.00 25.00 H new ATOM 0 HA LYS A 33 4.353 4.419 5.840 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.227 6.171 6.922 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.651 5.632 8.486 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.597 4.236 8.823 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.113 4.437 7.161 1.00 25.00 H new ATOM 0 HD2 LYS A 33 8.460 5.844 8.676 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.562 6.829 7.539 1.00 25.00 H new ATOM 0 HE2 LYS A 33 7.481 7.841 9.761 1.00 25.00 H new ATOM 0 HE3 LYS A 33 5.873 7.340 9.274 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 6.417 6.808 11.608 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 6.006 5.431 10.705 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.632 5.746 11.078 1.00 25.00 H new ATOM 586 N PHE A 34 4.695 2.138 8.177 1.00 25.00 N ATOM 587 CA PHE A 34 5.240 0.803 8.412 1.00 25.00 C ATOM 588 C PHE A 34 4.565 -0.252 7.539 1.00 25.00 C ATOM 589 O PHE A 34 5.180 -1.252 7.204 1.00 25.00 O ATOM 590 CB PHE A 34 5.130 0.445 9.891 1.00 25.00 C ATOM 591 CG PHE A 34 6.090 1.217 10.749 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.442 0.833 10.829 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.660 2.346 11.459 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.361 1.578 11.609 1.00 25.00 C ATOM 595 CE2 PHE A 34 6.566 3.103 12.239 1.00 25.00 C ATOM 596 CZ PHE A 34 7.920 2.715 12.316 1.00 25.00 C ATOM 0 H PHE A 34 4.063 2.476 8.903 1.00 25.00 H new ATOM 0 HA PHE A 34 6.293 0.817 8.131 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.112 0.635 10.231 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.314 -0.622 10.017 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.782 -0.039 10.290 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.623 2.642 11.410 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.396 1.276 11.662 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.222 3.976 12.774 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.615 3.286 12.914 1.00 25.00 H new ATOM 606 N PHE A 35 3.334 0.001 7.115 1.00 25.00 N ATOM 607 CA PHE A 35 2.632 -0.910 6.200 1.00 25.00 C ATOM 608 C PHE A 35 3.293 -0.807 4.824 1.00 25.00 C ATOM 609 O PHE A 35 3.366 -1.775 4.079 1.00 25.00 O ATOM 610 CB PHE A 35 1.145 -0.529 6.064 1.00 25.00 C ATOM 611 CG PHE A 35 0.268 -0.981 7.216 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.649 -0.798 8.565 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.980 -1.575 6.944 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.196 -1.222 9.616 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.832 -1.996 7.996 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.436 -1.822 9.328 1.00 25.00 C ATOM 0 H PHE A 35 2.796 0.825 7.385 1.00 25.00 H new ATOM 0 HA PHE A 35 2.692 -1.924 6.596 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.068 0.554 5.970 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.757 -0.957 5.140 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.595 -0.330 8.795 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.292 -1.712 5.919 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.111 -1.085 10.642 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.785 -2.450 7.770 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.080 -2.147 10.132 1.00 25.00 H new ATOM 626 N ASP A 36 3.791 0.378 4.502 1.00 25.00 N ATOM 627 CA ASP A 36 4.457 0.619 3.221 1.00 25.00 C ATOM 628 C ASP A 36 5.827 -0.063 3.179 1.00 25.00 C ATOM 629 O ASP A 36 6.232 -0.635 2.171 1.00 25.00 O ATOM 630 CB ASP A 36 4.636 2.127 3.033 1.00 25.00 C ATOM 631 CG ASP A 36 4.347 2.575 1.623 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.179 2.453 1.198 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.239 3.157 0.981 1.00 25.00 O ATOM 0 H ASP A 36 3.748 1.195 5.111 1.00 25.00 H new ATOM 0 HA ASP A 36 3.843 0.205 2.421 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.976 2.656 3.721 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.657 2.403 3.296 1.00 25.00 H new ATOM 638 N PHE A 37 6.518 -0.020 4.311 1.00 25.00 N ATOM 639 CA PHE A 37 7.863 -0.587 4.452 1.00 25.00 C ATOM 640 C PHE A 37 7.917 -2.092 4.178 1.00 25.00 C ATOM 641 O PHE A 37 8.929 -2.610 3.691 1.00 25.00 O ATOM 642 CB PHE A 37 8.354 -0.296 5.880 1.00 25.00 C ATOM 643 CG PHE A 37 9.776 -0.721 6.144 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.854 0.038 5.650 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.046 -1.869 6.914 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.196 -0.352 5.911 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.382 -2.265 7.186 1.00 25.00 C ATOM 648 CZ PHE A 37 12.457 -1.504 6.683 1.00 25.00 C ATOM 0 H PHE A 37 6.163 0.411 5.165 1.00 25.00 H new ATOM 0 HA PHE A 37 8.506 -0.121 3.705 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.265 0.773 6.072 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.698 -0.803 6.588 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.659 0.926 5.067 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.226 -2.455 7.302 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.015 0.233 5.519 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.575 -3.148 7.777 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.475 -1.801 6.887 1.00 25.00 H new ATOM 658 N VAL A 38 6.834 -2.803 4.457 1.00 25.00 N ATOM 659 CA VAL A 38 6.831 -4.247 4.231 1.00 25.00 C ATOM 660 C VAL A 38 6.887 -4.582 2.755 1.00 25.00 C ATOM 661 O VAL A 38 7.345 -5.652 2.390 1.00 25.00 O ATOM 662 CB VAL A 38 5.591 -4.980 4.871 1.00 25.00 C ATOM 663 CG1 VAL A 38 5.057 -4.215 6.056 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.437 -5.218 3.876 1.00 25.00 C ATOM 0 H VAL A 38 5.966 -2.420 4.831 1.00 25.00 H new ATOM 0 HA VAL A 38 7.730 -4.610 4.729 1.00 25.00 H new ATOM 0 HB VAL A 38 5.967 -5.953 5.187 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.202 -4.745 6.476 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.836 -4.126 6.813 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.746 -3.220 5.737 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.617 -5.726 4.384 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.087 -4.261 3.490 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.790 -5.835 3.050 1.00 25.00 H new ATOM 674 N LYS A 39 6.381 -3.698 1.904 1.00 25.00 N ATOM 675 CA LYS A 39 6.197 -4.058 0.501 1.00 25.00 C ATOM 676 C LYS A 39 7.516 -4.301 -0.231 1.00 25.00 C ATOM 677 O LYS A 39 7.636 -5.261 -0.980 1.00 25.00 O ATOM 678 CB LYS A 39 5.349 -2.997 -0.225 1.00 25.00 C ATOM 679 CG LYS A 39 4.550 -3.553 -1.424 1.00 25.00 C ATOM 680 CD LYS A 39 5.352 -3.568 -2.737 1.00 25.00 C ATOM 681 CE LYS A 39 4.917 -4.736 -3.622 1.00 25.00 C ATOM 682 NZ LYS A 39 5.734 -4.836 -4.866 1.00 25.00 N ATOM 0 H LYS A 39 6.097 -2.750 2.150 1.00 25.00 H new ATOM 0 HA LYS A 39 5.661 -5.007 0.488 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.655 -2.551 0.487 1.00 25.00 H new ATOM 0 HB3 LYS A 39 6.004 -2.199 -0.575 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.223 -4.567 -1.195 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.651 -2.952 -1.562 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.206 -2.628 -3.269 1.00 25.00 H new ATOM 0 HD3 LYS A 39 6.417 -3.648 -2.518 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.000 -5.666 -3.060 1.00 25.00 H new ATOM 0 HE3 LYS A 39 3.867 -4.616 -3.888 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 5.652 -5.795 -5.259 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 5.391 -4.145 -5.563 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.730 -4.637 -4.644 1.00 25.00 H new ATOM 696 N ASP A 40 8.508 -3.447 -0.009 1.00 25.00 N ATOM 697 CA ASP A 40 9.809 -3.605 -0.685 1.00 25.00 C ATOM 698 C ASP A 40 10.532 -4.846 -0.171 1.00 25.00 C ATOM 699 O ASP A 40 11.260 -5.510 -0.908 1.00 25.00 O ATOM 700 CB ASP A 40 10.705 -2.379 -0.453 1.00 25.00 C ATOM 701 CG ASP A 40 11.986 -2.414 -1.312 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.876 -2.332 -2.557 1.00 25.00 O ATOM 703 OD2 ASP A 40 13.103 -2.512 -0.751 1.00 25.00 O ATOM 0 H ASP A 40 8.448 -2.647 0.622 1.00 25.00 H new ATOM 0 HA ASP A 40 9.612 -3.708 -1.752 1.00 25.00 H new ATOM 0 HB2 ASP A 40 10.143 -1.473 -0.681 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.979 -2.327 0.601 1.00 25.00 H new ATOM 708 N THR A 41 10.319 -5.147 1.104 1.00 25.00 N ATOM 709 CA THR A 41 10.961 -6.290 1.753 1.00 25.00 C ATOM 710 C THR A 41 10.282 -7.608 1.361 1.00 25.00 C ATOM 711 O THR A 41 10.932 -8.632 1.184 1.00 25.00 O ATOM 712 CB THR A 41 10.900 -6.137 3.298 1.00 25.00 C ATOM 713 OG1 THR A 41 11.203 -4.783 3.655 1.00 25.00 O ATOM 714 CG2 THR A 41 11.917 -7.034 3.979 1.00 25.00 C ATOM 0 H THR A 41 9.702 -4.612 1.716 1.00 25.00 H new ATOM 0 HA THR A 41 11.999 -6.313 1.420 1.00 25.00 H new ATOM 0 HB THR A 41 9.897 -6.415 3.621 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.386 -4.243 3.613 1.00 25.00 H new ATOM 0 HG21 THR A 41 11.850 -6.905 5.059 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.713 -8.074 3.725 1.00 25.00 H new ATOM 0 HG23 THR A 41 12.919 -6.768 3.643 1.00 25.00 H new ATOM 722 N CYS A 42 8.965 -7.569 1.241 1.00 25.00 N ATOM 723 CA CYS A 42 8.158 -8.739 0.905 1.00 25.00 C ATOM 724 C CYS A 42 7.303 -8.460 -0.330 1.00 25.00 C ATOM 725 O CYS A 42 6.104 -8.191 -0.213 1.00 25.00 O ATOM 726 CB CYS A 42 7.244 -9.085 2.080 1.00 25.00 C ATOM 727 SG CYS A 42 8.146 -9.566 3.549 1.00 25.00 S ATOM 0 H CYS A 42 8.418 -6.719 1.375 1.00 25.00 H new ATOM 0 HA CYS A 42 8.826 -9.575 0.695 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.617 -8.224 2.311 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.577 -9.896 1.788 1.00 25.00 H new ATOM 0 HG CYS A 42 9.331 -9.984 3.214 1.00 25.00 H new ATOM 733 N PRO A 43 7.896 -8.546 -1.531 1.00 25.00 N ATOM 734 CA PRO A 43 7.110 -8.237 -2.730 1.00 25.00 C ATOM 735 C PRO A 43 6.039 -9.284 -3.012 1.00 25.00 C ATOM 736 O PRO A 43 5.030 -9.004 -3.641 1.00 25.00 O ATOM 737 CB PRO A 43 8.171 -8.207 -3.830 1.00 25.00 C ATOM 738 CG PRO A 43 9.224 -9.137 -3.358 1.00 25.00 C ATOM 739 CD PRO A 43 9.283 -8.920 -1.871 1.00 25.00 C ATOM 0 HA PRO A 43 6.551 -7.306 -2.638 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.759 -8.527 -4.787 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.565 -7.201 -3.973 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.976 -10.171 -3.598 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.183 -8.921 -3.828 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.598 -9.821 -1.345 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.989 -8.133 -1.606 1.00 25.00 H new ATOM 747 N TRP A 44 6.250 -10.480 -2.488 1.00 25.00 N ATOM 748 CA TRP A 44 5.311 -11.585 -2.627 1.00 25.00 C ATOM 749 C TRP A 44 4.094 -11.450 -1.712 1.00 25.00 C ATOM 750 O TRP A 44 3.104 -12.145 -1.889 1.00 25.00 O ATOM 751 CB TRP A 44 6.046 -12.884 -2.304 1.00 25.00 C ATOM 752 CG TRP A 44 7.072 -12.701 -1.214 1.00 25.00 C ATOM 753 CD1 TRP A 44 6.843 -12.388 0.084 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.506 -12.796 -1.335 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.004 -12.289 0.794 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.055 -12.528 -0.045 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.384 -13.071 -2.402 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.441 -12.526 0.200 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.783 -13.072 -2.159 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.294 -12.797 -0.855 1.00 25.00 C ATOM 0 H TRP A 44 7.084 -10.715 -1.950 1.00 25.00 H new ATOM 0 HA TRP A 44 4.938 -11.581 -3.651 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.324 -13.642 -1.998 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.536 -13.256 -3.204 1.00 25.00 H new ATOM 0 HD1 TRP A 44 5.861 -12.235 0.506 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.075 -12.072 1.788 1.00 25.00 H new ATOM 0 HE3 TRP A 44 8.999 -13.278 -3.390 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 10.829 -12.318 1.186 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.467 -13.283 -2.968 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.361 -12.801 -0.690 1.00 25.00 H new ATOM 771 N PHE A 45 4.161 -10.572 -0.719 1.00 25.00 N ATOM 772 CA PHE A 45 3.055 -10.443 0.233 1.00 25.00 C ATOM 773 C PHE A 45 1.760 -9.939 -0.438 1.00 25.00 C ATOM 774 O PHE A 45 0.724 -10.600 -0.328 1.00 25.00 O ATOM 775 CB PHE A 45 3.463 -9.560 1.420 1.00 25.00 C ATOM 776 CG PHE A 45 2.440 -9.515 2.516 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.448 -10.480 3.544 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.460 -8.506 2.534 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.490 -10.434 4.589 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.496 -8.457 3.561 1.00 25.00 C ATOM 781 CZ PHE A 45 0.512 -9.420 4.595 1.00 25.00 C ATOM 0 H PHE A 45 4.950 -9.949 -0.550 1.00 25.00 H new ATOM 0 HA PHE A 45 2.833 -11.440 0.614 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.404 -9.927 1.828 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.645 -8.546 1.062 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.192 -11.263 3.536 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.446 -7.761 1.752 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.510 -11.173 5.376 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.256 -7.682 3.558 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.222 -9.379 5.386 1.00 25.00 H new ATOM 791 N PRO A 46 1.798 -8.802 -1.177 1.00 25.00 N ATOM 792 CA PRO A 46 0.519 -8.474 -1.818 1.00 25.00 C ATOM 793 C PRO A 46 0.145 -9.389 -2.988 1.00 25.00 C ATOM 794 O PRO A 46 -1.025 -9.497 -3.328 1.00 25.00 O ATOM 795 CB PRO A 46 0.742 -7.042 -2.302 1.00 25.00 C ATOM 796 CG PRO A 46 2.173 -6.982 -2.596 1.00 25.00 C ATOM 797 CD PRO A 46 2.814 -7.774 -1.487 1.00 25.00 C ATOM 0 HA PRO A 46 -0.313 -8.599 -1.125 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.144 -6.823 -3.187 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.461 -6.316 -1.539 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.397 -7.412 -3.572 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.533 -5.953 -2.610 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.756 -8.221 -1.804 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.033 -7.150 -0.621 1.00 25.00 H new ATOM 805 N GLN A 47 1.127 -10.066 -3.575 1.00 25.00 N ATOM 806 CA GLN A 47 0.885 -10.967 -4.709 1.00 25.00 C ATOM 807 C GLN A 47 0.030 -12.156 -4.289 1.00 25.00 C ATOM 808 O GLN A 47 -0.809 -12.626 -5.045 1.00 25.00 O ATOM 809 CB GLN A 47 2.218 -11.465 -5.276 1.00 25.00 C ATOM 810 CG GLN A 47 3.054 -10.360 -5.928 1.00 25.00 C ATOM 811 CD GLN A 47 4.455 -10.821 -6.295 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.790 -11.992 -6.182 1.00 25.00 O ATOM 813 NE2 GLN A 47 5.283 -9.901 -6.717 1.00 25.00 N ATOM 0 H GLN A 47 2.104 -10.011 -3.286 1.00 25.00 H new ATOM 0 HA GLN A 47 0.348 -10.410 -5.477 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.797 -11.923 -4.474 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.022 -12.244 -6.012 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.546 -10.008 -6.825 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.122 -9.512 -5.246 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.971 -8.933 -6.800 1.00 25.00 H new ATOM 0 HE22 GLN A 47 6.241 -10.151 -6.963 1.00 25.00 H new ATOM 822 N GLU A 48 0.221 -12.613 -3.060 1.00 25.00 N ATOM 823 CA GLU A 48 -0.576 -13.715 -2.523 1.00 25.00 C ATOM 824 C GLU A 48 -2.004 -13.251 -2.202 1.00 25.00 C ATOM 825 O GLU A 48 -2.917 -14.063 -2.057 1.00 25.00 O ATOM 826 CB GLU A 48 0.098 -14.273 -1.273 1.00 25.00 C ATOM 827 CG GLU A 48 1.379 -15.068 -1.584 1.00 25.00 C ATOM 828 CD GLU A 48 1.286 -16.525 -1.142 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.311 -17.214 -1.521 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.119 -16.948 -0.302 1.00 25.00 O ATOM 0 H GLU A 48 0.918 -12.241 -2.415 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.641 -14.501 -3.276 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.342 -13.450 -0.601 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.604 -14.918 -0.746 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.576 -15.029 -2.655 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.226 -14.595 -1.087 1.00 25.00 H new ATOM 837 N GLY A 49 -2.193 -11.938 -2.122 1.00 25.00 N ATOM 838 CA GLY A 49 -3.519 -11.354 -1.973 1.00 25.00 C ATOM 839 C GLY A 49 -4.328 -11.804 -0.771 1.00 25.00 C ATOM 840 O GLY A 49 -5.556 -11.758 -0.801 1.00 25.00 O ATOM 0 H GLY A 49 -1.437 -11.254 -2.158 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.411 -10.270 -1.924 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.093 -11.577 -2.873 1.00 25.00 H new ATOM 844 N THR A 50 -3.653 -12.276 0.262 1.00 25.00 N ATOM 845 CA THR A 50 -4.317 -12.843 1.431 1.00 25.00 C ATOM 846 C THR A 50 -3.662 -12.297 2.689 1.00 25.00 C ATOM 847 O THR A 50 -2.434 -12.205 2.757 1.00 25.00 O ATOM 848 CB THR A 50 -4.178 -14.380 1.422 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.668 -14.903 0.185 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.957 -15.030 2.563 1.00 25.00 C ATOM 0 H THR A 50 -2.635 -12.279 0.318 1.00 25.00 H new ATOM 0 HA THR A 50 -5.373 -12.575 1.409 1.00 25.00 H new ATOM 0 HB THR A 50 -3.120 -14.609 1.548 1.00 25.00 H new ATOM 0 HG1 THR A 50 -4.056 -14.657 -0.540 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.832 -16.112 2.519 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.582 -14.660 3.517 1.00 25.00 H new ATOM 0 HG23 THR A 50 -6.014 -14.783 2.469 1.00 25.00 H new ATOM 858 N ILE A 51 -4.465 -11.947 3.683 1.00 25.00 N ATOM 859 CA ILE A 51 -3.951 -11.423 4.941 1.00 25.00 C ATOM 860 C ILE A 51 -4.309 -12.375 6.062 1.00 25.00 C ATOM 861 O ILE A 51 -5.469 -12.583 6.401 1.00 25.00 O ATOM 862 CB ILE A 51 -4.543 -10.055 5.291 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.374 -9.054 4.147 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.904 -9.495 6.601 1.00 25.00 C ATOM 865 CD1 ILE A 51 -2.978 -8.639 3.801 1.00 25.00 C ATOM 0 H ILE A 51 -5.482 -12.017 3.642 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.872 -11.318 4.824 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.612 -10.196 5.453 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.830 -9.481 3.254 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -4.941 -8.157 4.397 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.339 -8.522 6.831 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.098 -10.183 7.424 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.828 -9.388 6.464 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.004 -7.928 2.975 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.512 -8.171 4.668 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.400 -9.515 3.508 1.00 25.00 H new ATOM 877 N ASP A 52 -3.280 -12.941 6.650 1.00 25.00 N ATOM 878 CA ASP A 52 -3.438 -13.862 7.766 1.00 25.00 C ATOM 879 C ASP A 52 -2.153 -13.835 8.586 1.00 25.00 C ATOM 880 O ASP A 52 -1.150 -13.241 8.170 1.00 25.00 O ATOM 881 CB ASP A 52 -3.783 -15.282 7.269 1.00 25.00 C ATOM 882 CG ASP A 52 -2.722 -15.869 6.362 1.00 25.00 C ATOM 883 OD1 ASP A 52 -1.528 -15.667 6.635 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.074 -16.627 5.430 1.00 25.00 O ATOM 0 H ASP A 52 -2.311 -12.781 6.374 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.272 -13.553 8.397 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.921 -15.938 8.129 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.733 -15.253 6.735 1.00 25.00 H new ATOM 889 N ILE A 53 -2.182 -14.434 9.768 1.00 25.00 N ATOM 890 CA ILE A 53 -1.025 -14.381 10.651 1.00 25.00 C ATOM 891 C ILE A 53 0.145 -15.164 10.080 1.00 25.00 C ATOM 892 O ILE A 53 1.274 -14.723 10.181 1.00 25.00 O ATOM 893 CB ILE A 53 -1.376 -14.866 12.103 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.186 -14.682 13.066 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.868 -16.330 12.129 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.228 -13.223 13.290 1.00 25.00 C ATOM 0 H ILE A 53 -2.980 -14.954 10.134 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.724 -13.336 10.721 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.197 -14.236 12.446 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.441 -15.126 14.028 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.669 -15.234 12.677 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.098 -16.618 13.155 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.765 -16.423 11.516 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.089 -16.983 11.734 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.071 -13.186 13.980 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.518 -12.777 12.339 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.610 -12.668 13.711 1.00 25.00 H new ATOM 908 N LYS A 54 -0.111 -16.309 9.459 1.00 25.00 N ATOM 909 CA LYS A 54 0.982 -17.166 8.965 1.00 25.00 C ATOM 910 C LYS A 54 1.843 -16.448 7.919 1.00 25.00 C ATOM 911 O LYS A 54 3.062 -16.631 7.902 1.00 25.00 O ATOM 912 CB LYS A 54 0.463 -18.527 8.446 1.00 25.00 C ATOM 913 CG LYS A 54 -0.573 -18.447 7.340 1.00 25.00 C ATOM 914 CD LYS A 54 -1.036 -19.807 6.843 1.00 25.00 C ATOM 915 CE LYS A 54 -2.063 -19.612 5.722 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.632 -20.898 5.197 1.00 25.00 N ATOM 0 H LYS A 54 -1.049 -16.670 9.283 1.00 25.00 H new ATOM 0 HA LYS A 54 1.626 -17.378 9.818 1.00 25.00 H new ATOM 0 HB2 LYS A 54 1.312 -19.107 8.085 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.034 -19.077 9.284 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -1.436 -17.888 7.701 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.157 -17.886 6.503 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -0.186 -20.382 6.477 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.477 -20.376 7.662 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.877 -18.988 6.091 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -1.594 -19.070 4.901 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.318 -20.692 4.443 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -1.865 -21.487 4.815 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.108 -21.407 5.969 1.00 25.00 H new ATOM 930 N ARG A 55 1.247 -15.595 7.095 1.00 25.00 N ATOM 931 CA ARG A 55 2.016 -14.812 6.123 1.00 25.00 C ATOM 932 C ARG A 55 2.684 -13.637 6.813 1.00 25.00 C ATOM 933 O ARG A 55 3.798 -13.275 6.478 1.00 25.00 O ATOM 934 CB ARG A 55 1.099 -14.303 5.011 1.00 25.00 C ATOM 935 CG ARG A 55 0.494 -15.423 4.174 1.00 25.00 C ATOM 936 CD ARG A 55 -0.695 -14.918 3.392 1.00 25.00 C ATOM 937 NE ARG A 55 -1.625 -16.005 3.047 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.549 -16.773 1.967 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.563 -16.683 1.133 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.488 -17.641 1.727 1.00 25.00 N ATOM 0 H ARG A 55 0.241 -15.425 7.076 1.00 25.00 H new ATOM 0 HA ARG A 55 2.782 -15.453 5.686 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.296 -13.713 5.453 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.664 -13.636 4.360 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.244 -15.819 3.490 1.00 25.00 H new ATOM 0 HG3 ARG A 55 0.188 -16.244 4.822 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.220 -14.163 3.977 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.350 -14.432 2.480 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.394 -16.184 3.693 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.184 -16.008 1.297 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.533 -17.287 0.312 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -3.277 -17.729 2.367 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.435 -18.234 0.899 1.00 25.00 H new ATOM 954 N TRP A 56 2.023 -13.064 7.806 1.00 25.00 N ATOM 955 CA TRP A 56 2.591 -11.933 8.542 1.00 25.00 C ATOM 956 C TRP A 56 3.854 -12.316 9.325 1.00 25.00 C ATOM 957 O TRP A 56 4.743 -11.489 9.504 1.00 25.00 O ATOM 958 CB TRP A 56 1.541 -11.341 9.481 1.00 25.00 C ATOM 959 CG TRP A 56 1.944 -10.005 10.036 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.262 -9.711 11.318 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.093 -8.763 9.313 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.587 -8.394 11.470 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.500 -7.775 10.257 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.932 -8.387 7.963 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.759 -6.440 9.888 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.192 -7.042 7.589 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.598 -6.082 8.562 1.00 25.00 C ATOM 0 H TRP A 56 1.099 -13.357 8.123 1.00 25.00 H new ATOM 0 HA TRP A 56 2.889 -11.184 7.808 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.598 -11.237 8.945 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.365 -12.033 10.304 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.259 -10.431 12.123 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.852 -7.946 12.347 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.616 -9.110 7.226 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.075 -5.714 10.623 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.081 -6.743 6.557 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.782 -5.062 8.259 1.00 25.00 H new ATOM 978 N ARG A 57 3.970 -13.573 9.748 1.00 25.00 N ATOM 979 CA ARG A 57 5.189 -14.028 10.454 1.00 25.00 C ATOM 980 C ARG A 57 6.370 -13.877 9.536 1.00 25.00 C ATOM 981 O ARG A 57 7.378 -13.292 9.885 1.00 25.00 O ATOM 982 CB ARG A 57 5.106 -15.475 10.891 1.00 25.00 C ATOM 983 CG ARG A 57 3.779 -15.792 11.385 1.00 25.00 C ATOM 984 CD ARG A 57 3.752 -16.862 12.351 1.00 25.00 C ATOM 985 NE ARG A 57 4.429 -18.082 11.877 1.00 25.00 N ATOM 986 CZ ARG A 57 4.457 -19.243 12.522 1.00 25.00 C ATOM 987 NH1 ARG A 57 3.841 -19.425 13.666 1.00 25.00 N ATOM 988 NH2 ARG A 57 5.121 -20.239 12.007 1.00 25.00 N ATOM 0 H ARG A 57 3.256 -14.290 9.623 1.00 25.00 H new ATOM 0 HA ARG A 57 5.293 -13.414 11.349 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.351 -16.127 10.053 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.844 -15.667 11.670 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.348 -14.898 11.836 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.144 -16.062 10.542 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.226 -16.524 13.272 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.716 -17.099 12.594 1.00 25.00 H new ATOM 0 HE ARG A 57 4.915 -18.031 10.982 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.317 -18.660 14.091 1.00 25.00 H new ATOM 0 HH12 ARG A 57 3.886 -20.332 14.131 1.00 25.00 H new ATOM 0 HH21 ARG A 57 5.610 -20.121 11.120 1.00 25.00 H new ATOM 0 HH22 ARG A 57 5.151 -21.136 12.491 1.00 25.00 H new ATOM 1002 N ARG A 58 6.175 -14.372 8.323 1.00 25.00 N ATOM 1003 CA ARG A 58 7.199 -14.290 7.266 1.00 25.00 C ATOM 1004 C ARG A 58 7.664 -12.864 6.994 1.00 25.00 C ATOM 1005 O ARG A 58 8.797 -12.661 6.602 1.00 25.00 O ATOM 1006 CB ARG A 58 6.700 -14.899 5.953 1.00 25.00 C ATOM 1007 CG ARG A 58 6.520 -16.405 5.978 1.00 25.00 C ATOM 1008 CD ARG A 58 6.063 -16.886 4.603 1.00 25.00 C ATOM 1009 NE ARG A 58 6.097 -18.353 4.481 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.741 -19.037 3.396 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.294 -18.450 2.311 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.838 -20.337 3.405 1.00 25.00 N ATOM 0 H ARG A 58 5.315 -14.839 8.035 1.00 25.00 H new ATOM 0 HA ARG A 58 8.047 -14.861 7.644 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.747 -14.438 5.694 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.403 -14.644 5.160 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.457 -16.889 6.251 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.786 -16.682 6.734 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.049 -16.532 4.416 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.701 -16.446 3.837 1.00 25.00 H new ATOM 0 HE ARG A 58 6.418 -18.886 5.290 1.00 25.00 H new ATOM 0 HH11 ARG A 58 5.209 -17.434 2.279 1.00 25.00 H new ATOM 0 HH12 ARG A 58 5.031 -19.010 1.500 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.183 -20.817 4.236 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.569 -20.874 2.581 1.00 25.00 H new ATOM 1026 N VAL A 59 6.809 -11.876 7.210 1.00 25.00 N ATOM 1027 CA VAL A 59 7.205 -10.478 7.008 1.00 25.00 C ATOM 1028 C VAL A 59 8.239 -10.084 8.055 1.00 25.00 C ATOM 1029 O VAL A 59 9.234 -9.425 7.758 1.00 25.00 O ATOM 1030 CB VAL A 59 5.985 -9.522 7.109 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.401 -8.082 6.884 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.932 -9.913 6.092 1.00 25.00 C ATOM 0 H VAL A 59 5.846 -12.006 7.521 1.00 25.00 H new ATOM 0 HA VAL A 59 7.628 -10.389 6.008 1.00 25.00 H new ATOM 0 HB VAL A 59 5.571 -9.609 8.113 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.527 -7.435 6.960 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.134 -7.793 7.637 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.842 -7.981 5.892 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.081 -9.237 6.171 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.354 -9.850 5.089 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.603 -10.934 6.283 1.00 25.00 H new ATOM 1042 N GLY A 60 8.012 -10.524 9.280 1.00 25.00 N ATOM 1043 CA GLY A 60 8.935 -10.236 10.359 1.00 25.00 C ATOM 1044 C GLY A 60 10.220 -11.011 10.182 1.00 25.00 C ATOM 1045 O GLY A 60 11.303 -10.495 10.441 1.00 25.00 O ATOM 0 H GLY A 60 7.200 -11.079 9.550 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.149 -9.168 10.386 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.478 -10.493 11.314 1.00 25.00 H new ATOM 1049 N ASP A 61 10.099 -12.233 9.684 1.00 25.00 N ATOM 1050 CA ASP A 61 11.259 -13.082 9.409 1.00 25.00 C ATOM 1051 C ASP A 61 12.123 -12.398 8.339 1.00 25.00 C ATOM 1052 O ASP A 61 13.346 -12.392 8.412 1.00 25.00 O ATOM 1053 CB ASP A 61 10.813 -14.470 8.905 1.00 25.00 C ATOM 1054 CG ASP A 61 9.937 -15.223 9.915 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.110 -15.037 11.137 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.054 -16.003 9.469 1.00 25.00 O ATOM 0 H ASP A 61 9.203 -12.665 9.459 1.00 25.00 H new ATOM 0 HA ASP A 61 11.830 -13.220 10.327 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.262 -14.352 7.972 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.695 -15.069 8.680 1.00 25.00 H new ATOM 1061 N CYS A 62 11.466 -11.773 7.371 1.00 25.00 N ATOM 1062 CA CYS A 62 12.152 -11.042 6.305 1.00 25.00 C ATOM 1063 C CYS A 62 12.907 -9.828 6.850 1.00 25.00 C ATOM 1064 O CYS A 62 14.047 -9.565 6.459 1.00 25.00 O ATOM 1065 CB CYS A 62 11.134 -10.575 5.263 1.00 25.00 C ATOM 1066 SG CYS A 62 11.618 -10.936 3.562 1.00 25.00 S ATOM 0 H CYS A 62 10.449 -11.756 7.299 1.00 25.00 H new ATOM 0 HA CYS A 62 12.875 -11.718 5.849 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.175 -11.050 5.467 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.986 -9.500 5.369 1.00 25.00 H new ATOM 0 HG CYS A 62 11.256 -9.955 2.790 1.00 25.00 H new ATOM 1072 N PHE A 63 12.293 -9.092 7.772 1.00 25.00 N ATOM 1073 CA PHE A 63 12.980 -7.953 8.380 1.00 25.00 C ATOM 1074 C PHE A 63 14.184 -8.455 9.153 1.00 25.00 C ATOM 1075 O PHE A 63 15.227 -7.818 9.155 1.00 25.00 O ATOM 1076 CB PHE A 63 12.095 -7.188 9.370 1.00 25.00 C ATOM 1077 CG PHE A 63 10.872 -6.553 8.761 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.918 -5.935 7.495 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.662 -6.536 9.482 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.768 -5.319 6.949 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.511 -5.912 8.952 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.565 -5.309 7.679 1.00 25.00 C ATOM 0 H PHE A 63 11.344 -9.256 8.109 1.00 25.00 H new ATOM 0 HA PHE A 63 13.258 -7.282 7.567 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.779 -7.872 10.157 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.693 -6.410 9.845 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.842 -5.932 6.936 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.614 -7.006 10.453 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.813 -4.857 5.974 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.593 -5.897 9.520 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.685 -4.840 7.265 1.00 25.00 H new ATOM 1092 N GLN A 64 14.025 -9.583 9.830 1.00 25.00 N ATOM 1093 CA GLN A 64 15.089 -10.136 10.660 1.00 25.00 C ATOM 1094 C GLN A 64 16.274 -10.559 9.823 1.00 25.00 C ATOM 1095 O GLN A 64 17.411 -10.359 10.219 1.00 25.00 O ATOM 1096 CB GLN A 64 14.577 -11.342 11.440 1.00 25.00 C ATOM 1097 CG GLN A 64 15.579 -11.882 12.458 1.00 25.00 C ATOM 1098 CD GLN A 64 15.971 -10.842 13.490 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.135 -10.321 14.210 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.238 -10.532 13.556 1.00 25.00 N ATOM 0 H GLN A 64 13.168 -10.136 9.822 1.00 25.00 H new ATOM 0 HA GLN A 64 15.407 -9.355 11.351 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.659 -11.066 11.958 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.321 -12.136 10.738 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.149 -12.747 12.963 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.472 -12.228 11.937 1.00 25.00 H new ATOM 0 HE21 GLN A 64 17.908 -10.989 12.937 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.558 -9.833 14.226 1.00 25.00 H new ATOM 1109 N ASP A 65 16.015 -11.134 8.662 1.00 25.00 N ATOM 1110 CA ASP A 65 17.090 -11.553 7.772 1.00 25.00 C ATOM 1111 C ASP A 65 17.920 -10.353 7.364 1.00 25.00 C ATOM 1112 O ASP A 65 19.144 -10.330 7.499 1.00 25.00 O ATOM 1113 CB ASP A 65 16.506 -12.188 6.518 1.00 25.00 C ATOM 1114 CG ASP A 65 17.577 -12.741 5.601 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.550 -13.332 6.114 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.462 -12.558 4.370 1.00 25.00 O ATOM 0 H ASP A 65 15.075 -11.322 8.312 1.00 25.00 H new ATOM 0 HA ASP A 65 17.715 -12.275 8.298 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.825 -12.990 6.803 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.917 -11.446 5.979 1.00 25.00 H new ATOM 1121 N TYR A 66 17.238 -9.317 6.909 1.00 25.00 N ATOM 1122 CA TYR A 66 17.931 -8.126 6.437 1.00 25.00 C ATOM 1123 C TYR A 66 18.637 -7.431 7.611 1.00 25.00 C ATOM 1124 O TYR A 66 19.718 -6.855 7.458 1.00 25.00 O ATOM 1125 CB TYR A 66 16.938 -7.186 5.744 1.00 25.00 C ATOM 1126 CG TYR A 66 17.517 -6.301 4.634 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.904 -6.291 4.320 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.660 -5.480 3.866 1.00 25.00 C ATOM 1129 CE1 TYR A 66 19.405 -5.490 3.259 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.168 -4.673 2.808 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.533 -4.693 2.516 1.00 25.00 C ATOM 1132 OH TYR A 66 19.035 -3.928 1.491 1.00 25.00 O ATOM 0 H TYR A 66 16.220 -9.273 6.855 1.00 25.00 H new ATOM 0 HA TYR A 66 18.691 -8.410 5.709 1.00 25.00 H new ATOM 0 HB2 TYR A 66 16.133 -7.787 5.320 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.490 -6.541 6.500 1.00 25.00 H new ATOM 0 HD1 TYR A 66 19.585 -6.900 4.896 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.603 -5.464 4.085 1.00 25.00 H new ATOM 0 HE1 TYR A 66 20.460 -5.498 3.028 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.500 -4.048 2.234 1.00 25.00 H new ATOM 0 HH TYR A 66 18.305 -3.429 1.067 1.00 25.00 H new ATOM 1142 N PHE A 67 18.041 -7.530 8.792 1.00 25.00 N ATOM 1143 CA PHE A 67 18.628 -6.940 10.000 1.00 25.00 C ATOM 1144 C PHE A 67 19.858 -7.708 10.478 1.00 25.00 C ATOM 1145 O PHE A 67 20.810 -7.110 10.933 1.00 25.00 O ATOM 1146 CB PHE A 67 17.593 -6.901 11.125 1.00 25.00 C ATOM 1147 CG PHE A 67 18.094 -6.256 12.393 1.00 25.00 C ATOM 1148 CD1 PHE A 67 17.950 -4.871 12.598 1.00 25.00 C ATOM 1149 CD2 PHE A 67 18.705 -7.031 13.399 1.00 25.00 C ATOM 1150 CE1 PHE A 67 18.406 -4.262 13.788 1.00 25.00 C ATOM 1151 CE2 PHE A 67 19.177 -6.429 14.592 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.026 -5.040 14.784 1.00 25.00 C ATOM 0 H PHE A 67 17.154 -8.010 8.945 1.00 25.00 H new ATOM 0 HA PHE A 67 18.940 -5.928 9.741 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.713 -6.361 10.777 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.274 -7.919 11.348 1.00 25.00 H new ATOM 0 HD1 PHE A 67 17.484 -4.265 11.835 1.00 25.00 H new ATOM 0 HD2 PHE A 67 18.815 -8.096 13.259 1.00 25.00 H new ATOM 0 HE1 PHE A 67 18.279 -3.199 13.934 1.00 25.00 H new ATOM 0 HE2 PHE A 67 19.651 -7.032 15.352 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.384 -4.575 15.691 1.00 25.00 H new ATOM 1162 N ASN A 68 19.854 -9.029 10.391 1.00 25.00 N ATOM 1163 CA ASN A 68 21.004 -9.803 10.866 1.00 25.00 C ATOM 1164 C ASN A 68 22.175 -9.610 9.909 1.00 25.00 C ATOM 1165 O ASN A 68 23.325 -9.565 10.318 1.00 25.00 O ATOM 1166 CB ASN A 68 20.640 -11.290 11.035 1.00 25.00 C ATOM 1167 CG ASN A 68 21.252 -12.183 9.976 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.363 -12.654 10.121 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.510 -12.461 8.945 1.00 25.00 N ATOM 0 H ASN A 68 19.089 -9.583 10.006 1.00 25.00 H new ATOM 0 HA ASN A 68 21.300 -9.440 11.850 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.968 -11.627 12.018 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.556 -11.396 11.007 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.856 -13.094 8.224 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.582 -12.046 8.858 1.00 25.00 H new ATOM 1176 N THR A 69 21.848 -9.424 8.641 1.00 25.00 N ATOM 1177 CA THR A 69 22.854 -9.189 7.608 1.00 25.00 C ATOM 1178 C THR A 69 23.597 -7.854 7.784 1.00 25.00 C ATOM 1179 O THR A 69 24.805 -7.786 7.569 1.00 25.00 O ATOM 1180 CB THR A 69 22.188 -9.201 6.201 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.491 -10.436 6.013 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.217 -9.089 5.086 1.00 25.00 C ATOM 0 H THR A 69 20.888 -9.431 8.297 1.00 25.00 H new ATOM 0 HA THR A 69 23.583 -9.994 7.703 1.00 25.00 H new ATOM 0 HB THR A 69 21.513 -8.346 6.158 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.651 -10.417 6.517 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.711 -9.101 4.121 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.770 -8.156 5.194 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.909 -9.930 5.143 1.00 25.00 H new ATOM 1190 N PHE A 70 22.876 -6.782 8.105 1.00 25.00 N ATOM 1191 CA PHE A 70 23.478 -5.442 8.134 1.00 25.00 C ATOM 1192 C PHE A 70 23.302 -4.612 9.414 1.00 25.00 C ATOM 1193 O PHE A 70 23.709 -3.452 9.471 1.00 25.00 O ATOM 1194 CB PHE A 70 22.919 -4.654 6.964 1.00 25.00 C ATOM 1195 CG PHE A 70 23.962 -3.905 6.199 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.758 -4.577 5.260 1.00 25.00 C ATOM 1197 CD2 PHE A 70 24.168 -2.530 6.418 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.761 -3.887 4.532 1.00 25.00 C ATOM 1199 CE2 PHE A 70 25.165 -1.825 5.701 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.964 -2.505 4.755 1.00 25.00 C ATOM 0 H PHE A 70 21.885 -6.809 8.347 1.00 25.00 H new ATOM 0 HA PHE A 70 24.552 -5.620 8.083 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.404 -5.337 6.288 1.00 25.00 H new ATOM 0 HB3 PHE A 70 22.174 -3.949 7.333 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.605 -5.632 5.089 1.00 25.00 H new ATOM 0 HD2 PHE A 70 23.559 -2.007 7.141 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.367 -4.415 3.810 1.00 25.00 H new ATOM 0 HE2 PHE A 70 25.314 -0.770 5.877 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.726 -1.973 4.205 1.00 25.00 H new ATOM 1210 N GLY A 71 22.686 -5.179 10.434 1.00 25.00 N ATOM 1211 CA GLY A 71 22.487 -4.458 11.679 1.00 25.00 C ATOM 1212 C GLY A 71 21.412 -3.381 11.608 1.00 25.00 C ATOM 1213 O GLY A 71 20.640 -3.304 10.632 1.00 25.00 O ATOM 0 H GLY A 71 22.317 -6.130 10.427 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.222 -5.170 12.461 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.429 -3.997 11.974 1.00 25.00 H new ATOM 1217 N PRO A 72 21.346 -2.500 12.624 1.00 25.00 N ATOM 1218 CA PRO A 72 20.333 -1.436 12.641 1.00 25.00 C ATOM 1219 C PRO A 72 20.582 -0.343 11.608 1.00 25.00 C ATOM 1220 O PRO A 72 19.705 0.475 11.342 1.00 25.00 O ATOM 1221 CB PRO A 72 20.445 -0.884 14.064 1.00 25.00 C ATOM 1222 CG PRO A 72 21.866 -1.089 14.416 1.00 25.00 C ATOM 1223 CD PRO A 72 22.200 -2.439 13.829 1.00 25.00 C ATOM 0 HA PRO A 72 19.343 -1.814 12.384 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.171 0.170 14.106 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.783 -1.412 14.750 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.497 -0.305 13.998 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.015 -1.076 15.496 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.258 -2.519 13.578 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.975 -3.248 14.524 1.00 25.00 H new ATOM 1231 N GLU A 73 21.756 -0.375 10.990 1.00 25.00 N ATOM 1232 CA GLU A 73 22.125 0.580 9.947 1.00 25.00 C ATOM 1233 C GLU A 73 21.204 0.427 8.742 1.00 25.00 C ATOM 1234 O GLU A 73 21.010 1.359 7.958 1.00 25.00 O ATOM 1235 CB GLU A 73 23.572 0.325 9.501 1.00 25.00 C ATOM 1236 CG GLU A 73 24.615 0.466 10.612 1.00 25.00 C ATOM 1237 CD GLU A 73 24.735 1.897 11.116 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.966 2.276 12.027 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.591 2.641 10.595 1.00 25.00 O ATOM 0 H GLU A 73 22.481 -1.063 11.196 1.00 25.00 H new ATOM 0 HA GLU A 73 22.031 1.589 10.350 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.638 -0.680 9.084 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.819 1.020 8.698 1.00 25.00 H new ATOM 0 HG2 GLU A 73 24.348 -0.188 11.442 1.00 25.00 H new ATOM 0 HG3 GLU A 73 25.584 0.132 10.242 1.00 25.00 H new ATOM 1246 N LYS A 74 20.633 -0.763 8.581 1.00 25.00 N ATOM 1247 CA LYS A 74 19.743 -1.020 7.453 1.00 25.00 C ATOM 1248 C LYS A 74 18.274 -1.115 7.823 1.00 25.00 C ATOM 1249 O LYS A 74 17.431 -0.588 7.089 1.00 25.00 O ATOM 1250 CB LYS A 74 20.182 -2.280 6.720 1.00 25.00 C ATOM 1251 CG LYS A 74 19.492 -2.526 5.377 1.00 25.00 C ATOM 1252 CD LYS A 74 20.038 -1.649 4.215 1.00 25.00 C ATOM 1253 CE LYS A 74 19.526 -0.190 4.179 1.00 25.00 C ATOM 1254 NZ LYS A 74 18.030 -0.076 4.332 1.00 25.00 N ATOM 0 H LYS A 74 20.768 -1.556 9.208 1.00 25.00 H new ATOM 0 HA LYS A 74 19.828 -0.150 6.801 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.258 -2.228 6.553 1.00 25.00 H new ATOM 0 HB3 LYS A 74 20.001 -3.139 7.366 1.00 25.00 H new ATOM 0 HG2 LYS A 74 19.605 -3.577 5.109 1.00 25.00 H new ATOM 0 HG3 LYS A 74 18.424 -2.338 5.489 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.126 -1.631 4.278 1.00 25.00 H new ATOM 0 HD3 LYS A 74 19.781 -2.128 3.270 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.009 0.377 4.975 1.00 25.00 H new ATOM 0 HE3 LYS A 74 19.823 0.268 3.236 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 17.724 0.877 4.050 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 17.564 -0.783 3.727 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 17.769 -0.244 5.325 1.00 25.00 H new ATOM 1268 N VAL A 75 17.944 -1.784 8.917 1.00 25.00 N ATOM 1269 CA VAL A 75 16.539 -1.911 9.314 1.00 25.00 C ATOM 1270 C VAL A 75 16.387 -1.350 10.723 1.00 25.00 C ATOM 1271 O VAL A 75 17.127 -1.726 11.627 1.00 25.00 O ATOM 1272 CB VAL A 75 16.094 -3.412 9.288 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.622 -3.574 9.714 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.285 -4.003 7.887 1.00 25.00 C ATOM 0 H VAL A 75 18.611 -2.241 9.539 1.00 25.00 H new ATOM 0 HA VAL A 75 15.909 -1.359 8.616 1.00 25.00 H new ATOM 0 HB VAL A 75 16.721 -3.949 10.000 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.348 -4.629 9.684 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.493 -3.194 10.728 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.982 -3.014 9.032 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.971 -5.047 7.886 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.684 -3.443 7.171 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.336 -3.940 7.606 1.00 25.00 H new ATOM 1284 N PRO A 76 15.391 -0.473 10.947 1.00 25.00 N ATOM 1285 CA PRO A 76 15.276 0.020 12.320 1.00 25.00 C ATOM 1286 C PRO A 76 14.624 -0.989 13.252 1.00 25.00 C ATOM 1287 O PRO A 76 13.721 -1.721 12.860 1.00 25.00 O ATOM 1288 CB PRO A 76 14.388 1.247 12.164 1.00 25.00 C ATOM 1289 CG PRO A 76 13.521 0.938 11.010 1.00 25.00 C ATOM 1290 CD PRO A 76 14.386 0.148 10.059 1.00 25.00 C ATOM 0 HA PRO A 76 16.250 0.223 12.766 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.800 1.427 13.064 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.980 2.144 11.985 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.648 0.362 11.318 1.00 25.00 H new ATOM 0 HG3 PRO A 76 13.152 1.850 10.540 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.808 -0.602 9.519 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.852 0.790 9.312 1.00 25.00 H new ATOM 1298 N VAL A 77 15.012 -0.972 14.516 1.00 25.00 N ATOM 1299 CA VAL A 77 14.410 -1.874 15.496 1.00 25.00 C ATOM 1300 C VAL A 77 12.935 -1.528 15.757 1.00 25.00 C ATOM 1301 O VAL A 77 12.153 -2.383 16.166 1.00 25.00 O ATOM 1302 CB VAL A 77 15.210 -1.885 16.828 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.619 -2.451 16.589 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.314 -0.474 17.428 1.00 25.00 C ATOM 0 H VAL A 77 15.732 -0.353 14.889 1.00 25.00 H new ATOM 0 HA VAL A 77 14.449 -2.876 15.068 1.00 25.00 H new ATOM 0 HB VAL A 77 14.676 -2.519 17.536 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.173 -2.455 17.527 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.542 -3.469 16.208 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.142 -1.830 15.862 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.879 -0.515 18.359 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.823 0.184 16.724 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.314 -0.089 17.627 1.00 25.00 H new ATOM 1314 N THR A 78 12.527 -0.298 15.458 1.00 25.00 N ATOM 1315 CA THR A 78 11.121 0.083 15.633 1.00 25.00 C ATOM 1316 C THR A 78 10.239 -0.609 14.610 1.00 25.00 C ATOM 1317 O THR A 78 9.057 -0.809 14.850 1.00 25.00 O ATOM 1318 CB THR A 78 10.890 1.623 15.576 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.533 1.922 15.904 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.200 2.232 14.220 1.00 25.00 C ATOM 0 H THR A 78 13.132 0.441 15.100 1.00 25.00 H new ATOM 0 HA THR A 78 10.845 -0.246 16.635 1.00 25.00 H new ATOM 0 HB THR A 78 11.580 2.059 16.299 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.394 2.891 15.868 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.017 3.306 14.253 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.245 2.050 13.970 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.561 1.778 13.463 1.00 25.00 H new ATOM 1328 N ALA A 79 10.810 -1.035 13.491 1.00 25.00 N ATOM 1329 CA ALA A 79 10.018 -1.740 12.495 1.00 25.00 C ATOM 1330 C ALA A 79 9.489 -3.052 13.081 1.00 25.00 C ATOM 1331 O ALA A 79 8.354 -3.420 12.834 1.00 25.00 O ATOM 1332 CB ALA A 79 10.843 -1.990 11.254 1.00 25.00 C ATOM 0 H ALA A 79 11.794 -0.909 13.254 1.00 25.00 H new ATOM 0 HA ALA A 79 9.164 -1.124 12.213 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.239 -2.518 10.516 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.173 -1.038 10.839 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.713 -2.595 11.511 1.00 25.00 H new ATOM 1338 N PHE A 80 10.293 -3.720 13.898 1.00 25.00 N ATOM 1339 CA PHE A 80 9.871 -4.967 14.543 1.00 25.00 C ATOM 1340 C PHE A 80 8.844 -4.694 15.633 1.00 25.00 C ATOM 1341 O PHE A 80 7.958 -5.501 15.896 1.00 25.00 O ATOM 1342 CB PHE A 80 11.067 -5.666 15.187 1.00 25.00 C ATOM 1343 CG PHE A 80 12.133 -6.056 14.213 1.00 25.00 C ATOM 1344 CD1 PHE A 80 13.160 -5.155 13.882 1.00 25.00 C ATOM 1345 CD2 PHE A 80 12.129 -7.333 13.629 1.00 25.00 C ATOM 1346 CE1 PHE A 80 14.176 -5.517 12.978 1.00 25.00 C ATOM 1347 CE2 PHE A 80 13.137 -7.712 12.723 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.163 -6.802 12.394 1.00 25.00 C ATOM 0 H PHE A 80 11.240 -3.424 14.133 1.00 25.00 H new ATOM 0 HA PHE A 80 9.433 -5.600 13.771 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.499 -5.007 15.940 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.718 -6.558 15.707 1.00 25.00 H new ATOM 0 HD1 PHE A 80 13.169 -4.171 14.328 1.00 25.00 H new ATOM 0 HD2 PHE A 80 11.344 -8.032 13.878 1.00 25.00 H new ATOM 0 HE1 PHE A 80 14.960 -4.816 12.733 1.00 25.00 H new ATOM 0 HE2 PHE A 80 13.125 -8.697 12.281 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.937 -7.088 11.697 1.00 25.00 H new ATOM 1358 N SER A 81 8.977 -3.549 16.278 1.00 25.00 N ATOM 1359 CA SER A 81 8.080 -3.177 17.372 1.00 25.00 C ATOM 1360 C SER A 81 6.697 -2.912 16.797 1.00 25.00 C ATOM 1361 O SER A 81 5.694 -3.441 17.267 1.00 25.00 O ATOM 1362 CB SER A 81 8.601 -1.931 18.094 1.00 25.00 C ATOM 1363 OG SER A 81 7.774 -1.604 19.195 1.00 25.00 O ATOM 0 H SER A 81 9.696 -2.856 16.068 1.00 25.00 H new ATOM 0 HA SER A 81 8.031 -3.990 18.097 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.620 -2.105 18.438 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.638 -1.092 17.399 1.00 25.00 H new ATOM 0 HG SER A 81 8.126 -0.806 19.643 1.00 25.00 H new ATOM 1369 N TYR A 82 6.664 -2.149 15.717 1.00 25.00 N ATOM 1370 CA TYR A 82 5.420 -1.868 15.023 1.00 25.00 C ATOM 1371 C TYR A 82 4.850 -3.135 14.427 1.00 25.00 C ATOM 1372 O TYR A 82 3.654 -3.369 14.490 1.00 25.00 O ATOM 1373 CB TYR A 82 5.662 -0.854 13.918 1.00 25.00 C ATOM 1374 CG TYR A 82 5.378 0.545 14.374 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.349 1.302 15.069 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.121 1.121 14.131 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.060 2.619 15.512 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.827 2.440 14.561 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.801 3.176 15.249 1.00 25.00 C ATOM 1380 OH TYR A 82 4.522 4.453 15.663 1.00 25.00 O ATOM 0 H TYR A 82 7.487 -1.713 15.302 1.00 25.00 H new ATOM 0 HA TYR A 82 4.707 -1.462 15.741 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.696 -0.924 13.581 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.031 -1.092 13.062 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.321 0.874 15.265 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.367 0.551 13.609 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.805 3.188 16.048 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.859 2.874 14.360 1.00 25.00 H new ATOM 0 HH TYR A 82 5.347 4.982 15.672 1.00 25.00 H new ATOM 1390 N TRP A 83 5.712 -3.970 13.876 1.00 25.00 N ATOM 1391 CA TRP A 83 5.291 -5.223 13.271 1.00 25.00 C ATOM 1392 C TRP A 83 4.553 -6.104 14.279 1.00 25.00 C ATOM 1393 O TRP A 83 3.544 -6.736 13.947 1.00 25.00 O ATOM 1394 CB TRP A 83 6.524 -5.959 12.744 1.00 25.00 C ATOM 1395 CG TRP A 83 6.253 -7.355 12.317 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.782 -7.782 11.121 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.441 -8.548 13.102 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.645 -9.138 11.092 1.00 25.00 N ATOM 1399 CE2 TRP A 83 6.041 -9.648 12.295 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.912 -8.799 14.408 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 6.100 -10.976 12.750 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.978 -10.137 14.870 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.571 -11.213 14.029 1.00 25.00 C ATOM 0 H TRP A 83 6.717 -3.802 13.835 1.00 25.00 H new ATOM 0 HA TRP A 83 4.605 -5.004 12.453 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.933 -5.404 11.900 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.289 -5.969 13.520 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.545 -7.130 10.294 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.302 -9.683 10.301 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.218 -7.983 15.046 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.785 -11.792 12.117 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.339 -10.343 15.867 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.631 -12.227 14.395 1.00 25.00 H new ATOM 1414 N ASN A 84 5.031 -6.114 15.518 1.00 25.00 N ATOM 1415 CA ASN A 84 4.408 -6.904 16.580 1.00 25.00 C ATOM 1416 C ASN A 84 2.994 -6.410 16.897 1.00 25.00 C ATOM 1417 O ASN A 84 2.133 -7.202 17.277 1.00 25.00 O ATOM 1418 CB ASN A 84 5.254 -6.858 17.857 1.00 25.00 C ATOM 1419 CG ASN A 84 6.242 -7.998 17.943 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.876 -9.134 18.221 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.490 -7.709 17.716 1.00 25.00 N ATOM 0 H ASN A 84 5.850 -5.583 15.815 1.00 25.00 H new ATOM 0 HA ASN A 84 4.346 -7.930 16.219 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.793 -5.912 17.897 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.596 -6.887 18.725 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.200 -8.440 17.767 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.758 -6.752 17.487 1.00 25.00 H new ATOM 1428 N LEU A 85 2.755 -5.116 16.720 1.00 25.00 N ATOM 1429 CA LEU A 85 1.452 -4.519 17.023 1.00 25.00 C ATOM 1430 C LEU A 85 0.406 -5.013 16.029 1.00 25.00 C ATOM 1431 O LEU A 85 -0.732 -5.282 16.385 1.00 25.00 O ATOM 1432 CB LEU A 85 1.567 -2.987 16.981 1.00 25.00 C ATOM 1433 CG LEU A 85 0.351 -2.171 17.452 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.836 -0.888 18.134 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.567 -1.802 16.278 1.00 25.00 C ATOM 0 H LEU A 85 3.447 -4.455 16.367 1.00 25.00 H new ATOM 0 HA LEU A 85 1.138 -4.819 18.023 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.423 -2.697 17.590 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.792 -2.694 15.955 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.218 -2.783 18.152 1.00 25.00 H new ATOM 0 HD11 LEU A 85 -0.023 -0.307 18.469 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.458 -1.145 18.992 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.419 -0.298 17.427 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.416 -1.226 16.647 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.011 -1.206 15.555 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.927 -2.712 15.798 1.00 25.00 H new ATOM 1447 N ILE A 86 0.793 -5.162 14.772 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.145 -5.670 13.773 1.00 25.00 C ATOM 1449 C ILE A 86 -0.252 -7.188 13.908 1.00 25.00 C ATOM 1450 O ILE A 86 -1.306 -7.773 13.674 1.00 25.00 O ATOM 1451 CB ILE A 86 0.275 -5.292 12.343 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.372 -3.764 12.215 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.746 -5.818 11.325 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.754 -3.295 11.865 1.00 25.00 C ATOM 0 H ILE A 86 1.726 -4.946 14.421 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.116 -5.210 13.955 1.00 25.00 H new ATOM 0 HB ILE A 86 1.246 -5.743 12.139 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.327 -3.423 11.451 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.065 -3.305 13.155 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.432 -5.541 10.319 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.808 -6.904 11.400 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.724 -5.383 11.533 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.761 -2.208 11.788 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.452 -3.608 12.641 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.054 -3.728 10.911 1.00 25.00 H new ATOM 1466 N LYS A 87 0.830 -7.826 14.329 1.00 25.00 N ATOM 1467 CA LYS A 87 0.842 -9.275 14.508 1.00 25.00 C ATOM 1468 C LYS A 87 -0.235 -9.698 15.495 1.00 25.00 C ATOM 1469 O LYS A 87 -0.994 -10.606 15.204 1.00 25.00 O ATOM 1470 CB LYS A 87 2.245 -9.721 14.950 1.00 25.00 C ATOM 1471 CG LYS A 87 2.308 -10.838 15.981 1.00 25.00 C ATOM 1472 CD LYS A 87 3.742 -11.079 16.385 1.00 25.00 C ATOM 1473 CE LYS A 87 3.830 -11.945 17.630 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.238 -11.958 18.155 1.00 25.00 N ATOM 0 H LYS A 87 1.712 -7.366 14.554 1.00 25.00 H new ATOM 0 HA LYS A 87 0.614 -9.768 13.563 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.796 -10.041 14.066 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.767 -8.854 15.354 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.714 -10.573 16.855 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.878 -11.751 15.569 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.276 -11.561 15.566 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.235 -10.124 16.569 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.153 -11.565 18.395 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.511 -12.961 17.398 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.255 -12.409 19.092 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.847 -12.492 17.503 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.588 -10.982 18.234 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.341 -9.024 16.632 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.359 -9.391 17.618 1.00 25.00 C ATOM 1490 C GLU A 88 -2.760 -9.039 17.112 1.00 25.00 C ATOM 1491 O GLU A 88 -3.731 -9.701 17.459 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.079 -8.720 18.972 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.087 -7.202 18.928 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.716 -6.562 20.249 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.024 -7.130 21.315 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.176 -5.432 20.222 1.00 25.00 O ATOM 0 H GLU A 88 0.250 -8.235 16.895 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.315 -10.470 17.763 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.825 -9.055 19.692 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.109 -9.057 19.338 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.391 -6.864 18.160 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.079 -6.859 18.632 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.866 -8.027 16.260 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.160 -7.638 15.708 1.00 25.00 C ATOM 1505 C LEU A 89 -4.692 -8.682 14.729 1.00 25.00 C ATOM 1506 O LEU A 89 -5.875 -9.002 14.754 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.073 -6.267 15.031 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.075 -5.054 15.982 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.763 -3.782 15.193 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.424 -4.885 16.701 1.00 25.00 C ATOM 0 H LEU A 89 -2.079 -7.464 15.937 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.862 -7.573 16.540 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.163 -6.235 14.432 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.912 -6.168 14.342 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.311 -5.230 16.739 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.765 -2.926 15.868 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.782 -3.874 14.727 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.519 -3.638 14.421 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.379 -4.018 17.360 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.214 -4.739 15.964 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.637 -5.778 17.289 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.831 -9.235 13.883 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.272 -10.275 12.947 1.00 25.00 C ATOM 1524 C ILE A 90 -4.491 -11.579 13.713 1.00 25.00 C ATOM 1525 O ILE A 90 -5.456 -12.296 13.472 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.240 -10.559 11.810 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.920 -9.286 11.005 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.811 -11.625 10.833 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.691 -9.449 10.079 1.00 25.00 C ATOM 0 H ILE A 90 -2.843 -8.991 13.821 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.189 -9.909 12.486 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.326 -10.919 12.282 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.788 -9.015 10.404 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.741 -8.462 11.695 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.086 -11.819 10.042 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.010 -12.548 11.377 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.738 -11.256 10.394 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.517 -8.519 9.539 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.813 -9.691 10.678 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.876 -10.253 9.367 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.597 -11.879 14.646 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.669 -13.122 15.422 1.00 25.00 C ATOM 1543 C ASP A 91 -4.979 -13.202 16.199 1.00 25.00 C ATOM 1544 O ASP A 91 -5.574 -14.265 16.331 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.493 -13.183 16.399 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.378 -14.519 17.095 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.030 -15.513 16.418 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.522 -14.554 18.339 1.00 25.00 O ATOM 0 H ASP A 91 -2.808 -11.279 14.889 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.623 -13.964 14.731 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.568 -12.979 15.860 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.607 -12.398 17.146 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.450 -12.057 16.673 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.684 -11.996 17.456 1.00 25.00 C ATOM 1555 C LYS A 92 -7.808 -11.298 16.701 1.00 25.00 C ATOM 1556 O LYS A 92 -8.677 -10.676 17.309 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.403 -11.307 18.776 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.291 -12.006 19.525 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.310 -11.627 20.954 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.126 -12.252 21.677 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.106 -11.875 23.128 1.00 25.00 N ATOM 0 H LYS A 92 -4.998 -11.154 16.530 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.024 -13.014 17.643 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.128 -10.268 18.597 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.307 -11.297 19.385 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.402 -13.086 19.428 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.328 -11.744 19.086 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.274 -10.542 21.051 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.242 -11.957 21.413 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.172 -13.337 21.583 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -3.198 -11.930 21.204 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -3.286 -12.318 23.590 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -4.037 -10.841 23.217 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.981 -12.204 23.584 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.806 -11.412 15.377 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.829 -10.779 14.538 1.00 25.00 C ATOM 1577 C LYS A 93 -10.234 -11.265 14.872 1.00 25.00 C ATOM 1578 O LYS A 93 -11.204 -10.568 14.642 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.531 -11.068 13.062 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.591 -12.575 12.698 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.061 -12.865 11.299 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.979 -12.324 10.220 1.00 25.00 C ATOM 1583 NZ LYS A 93 -10.314 -13.032 10.190 1.00 25.00 N ATOM 0 H LYS A 93 -7.105 -11.939 14.855 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.795 -9.707 14.734 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.245 -10.525 12.443 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.541 -10.683 12.818 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.012 -13.143 13.426 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.622 -12.921 12.770 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -7.071 -12.423 11.188 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.946 -13.941 11.171 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -9.140 -11.259 10.384 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -8.494 -12.427 9.249 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -10.824 -12.775 9.321 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -10.162 -14.061 10.211 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.876 -12.748 11.018 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.325 -12.473 15.401 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.607 -13.105 15.697 1.00 25.00 C ATOM 1599 C GLU A 94 -12.410 -12.335 16.746 1.00 25.00 C ATOM 1600 O GLU A 94 -13.625 -12.231 16.658 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.326 -14.527 16.175 1.00 25.00 C ATOM 1602 CG GLU A 94 -12.552 -15.395 16.279 1.00 25.00 C ATOM 1603 CD GLU A 94 -12.203 -16.870 16.142 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -11.708 -17.261 15.058 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -12.384 -17.627 17.117 1.00 25.00 O ATOM 0 H GLU A 94 -9.515 -13.046 15.639 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.217 -13.111 14.793 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -10.619 -14.996 15.490 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.842 -14.482 17.151 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -13.041 -15.223 17.238 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -13.265 -15.115 15.503 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.709 -11.759 17.711 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.349 -10.996 18.788 1.00 25.00 C ATOM 1614 C VAL A 95 -12.140 -9.490 18.605 1.00 25.00 C ATOM 1615 O VAL A 95 -12.497 -8.690 19.461 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.823 -11.454 20.183 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.185 -12.932 20.425 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.296 -11.271 20.297 1.00 25.00 C ATOM 0 H VAL A 95 -10.692 -11.802 17.776 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.420 -11.196 18.740 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.300 -10.830 20.939 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.813 -13.242 21.402 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.268 -13.051 20.394 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.730 -13.550 19.651 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.963 -11.600 21.281 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.800 -11.865 19.529 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.044 -10.219 20.161 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.577 -9.111 17.464 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.350 -7.699 17.129 1.00 25.00 C ATOM 1630 C ASN A 96 -12.001 -7.390 15.777 1.00 25.00 C ATOM 1631 O ASN A 96 -11.316 -7.308 14.750 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.850 -7.392 17.064 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.239 -7.208 18.424 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.333 -6.145 19.011 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.585 -8.219 18.916 1.00 25.00 N ATOM 0 H ASN A 96 -11.265 -9.764 16.745 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.795 -7.076 17.905 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.339 -8.204 16.547 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.693 -6.489 16.474 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.128 -8.138 19.824 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.529 -9.093 18.394 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.333 -7.199 15.748 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.972 -6.985 14.443 1.00 25.00 C ATOM 1644 C PRO A 97 -13.584 -5.678 13.749 1.00 25.00 C ATOM 1645 O PRO A 97 -13.722 -5.554 12.533 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.464 -7.013 14.788 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.525 -6.546 16.194 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.327 -7.191 16.839 1.00 25.00 C ATOM 0 HA PRO A 97 -13.660 -7.740 13.721 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.037 -6.362 14.128 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.877 -8.016 14.684 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.476 -5.459 16.257 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.453 -6.852 16.677 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.977 -6.623 17.701 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.550 -8.198 17.190 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.051 -4.722 14.501 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.625 -3.448 13.932 1.00 25.00 C ATOM 1658 C GLN A 98 -11.506 -3.711 12.950 1.00 25.00 C ATOM 1659 O GLN A 98 -11.494 -3.180 11.838 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.087 -2.493 15.013 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.098 -2.049 16.068 1.00 25.00 C ATOM 1662 CD GLN A 98 -13.392 -3.118 17.119 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.684 -4.109 17.229 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -14.443 -2.929 17.868 1.00 25.00 N ATOM 0 H GLN A 98 -12.903 -4.805 15.507 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.488 -2.986 13.453 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.252 -2.979 15.518 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.689 -1.605 14.522 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.723 -1.155 16.566 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -14.029 -1.771 15.574 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.011 -2.090 17.748 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.697 -3.620 18.574 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.549 -4.527 13.369 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.408 -4.811 12.523 1.00 25.00 C ATOM 1675 C VAL A 99 -9.727 -5.941 11.558 1.00 25.00 C ATOM 1676 O VAL A 99 -9.205 -5.962 10.471 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.105 -5.083 13.341 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.034 -6.526 13.851 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.875 -4.759 12.487 1.00 25.00 C ATOM 0 H VAL A 99 -10.542 -4.995 14.275 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.205 -3.915 11.936 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.123 -4.433 14.216 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.111 -6.668 14.414 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.888 -6.726 14.498 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.052 -7.212 13.004 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -5.970 -4.951 13.064 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.876 -5.385 11.595 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.902 -3.710 12.193 1.00 25.00 H new ATOM 1689 N MET A 100 -10.627 -6.847 11.915 1.00 25.00 N ATOM 1690 CA MET A 100 -10.994 -7.949 11.021 1.00 25.00 C ATOM 1691 C MET A 100 -11.576 -7.428 9.713 1.00 25.00 C ATOM 1692 O MET A 100 -11.263 -7.933 8.638 1.00 25.00 O ATOM 1693 CB MET A 100 -12.001 -8.862 11.708 1.00 25.00 C ATOM 1694 CG MET A 100 -12.369 -10.102 10.913 1.00 25.00 C ATOM 1695 SD MET A 100 -14.052 -9.986 10.276 1.00 25.00 S ATOM 1696 CE MET A 100 -13.814 -10.251 8.502 1.00 25.00 C ATOM 0 H MET A 100 -11.116 -6.846 12.810 1.00 25.00 H new ATOM 0 HA MET A 100 -10.090 -8.513 10.790 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.595 -9.170 12.671 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.908 -8.293 11.912 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.671 -10.228 10.085 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.276 -10.985 11.546 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.783 -10.381 8.020 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.307 -9.388 8.070 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.209 -11.144 8.345 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.372 -6.374 9.790 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.904 -5.759 8.585 1.00 25.00 C ATOM 1708 C ALA A 101 -11.771 -5.122 7.763 1.00 25.00 C ATOM 1709 O ALA A 101 -11.836 -5.080 6.547 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.947 -4.721 8.957 1.00 25.00 C ATOM 0 H ALA A 101 -12.661 -5.931 10.662 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.376 -6.526 7.972 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.343 -4.262 8.051 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.758 -5.200 9.506 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.490 -3.954 9.582 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.723 -4.651 8.428 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.590 -4.041 7.739 1.00 25.00 C ATOM 1718 C ALA A 102 -8.716 -5.134 7.105 1.00 25.00 C ATOM 1719 O ALA A 102 -8.155 -4.937 6.041 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.774 -3.178 8.719 1.00 25.00 C ATOM 0 H ALA A 102 -10.633 -4.679 9.444 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.958 -3.392 6.945 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.932 -2.728 8.193 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.409 -2.391 9.127 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.403 -3.802 9.532 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.651 -6.298 7.737 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.933 -7.454 7.186 1.00 25.00 C ATOM 1728 C VAL A 103 -8.584 -7.807 5.852 1.00 25.00 C ATOM 1729 O VAL A 103 -7.903 -7.956 4.840 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.022 -8.675 8.175 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.507 -9.954 7.553 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.233 -8.381 9.463 1.00 25.00 C ATOM 0 H VAL A 103 -9.089 -6.474 8.641 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.879 -7.216 7.046 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.077 -8.816 8.410 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.589 -10.768 8.274 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.098 -10.192 6.668 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.463 -9.825 7.268 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.305 -9.235 10.136 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.187 -8.200 9.216 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.648 -7.499 9.951 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.909 -7.882 5.848 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.650 -8.203 4.634 1.00 25.00 C ATOM 1744 C ALA A 104 -10.501 -7.095 3.586 1.00 25.00 C ATOM 1745 O ALA A 104 -10.290 -7.367 2.413 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.124 -8.427 4.978 1.00 25.00 C ATOM 0 H ALA A 104 -10.492 -7.725 6.670 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.239 -9.117 4.205 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.677 -8.667 4.070 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.211 -9.252 5.685 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.535 -7.522 5.425 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.576 -5.843 4.015 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.420 -4.725 3.088 1.00 25.00 C ATOM 1754 C GLN A 105 -9.040 -4.693 2.457 1.00 25.00 C ATOM 1755 O GLN A 105 -8.904 -4.345 1.296 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.660 -3.393 3.784 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.124 -3.024 3.907 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.314 -1.540 4.057 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.857 -0.761 3.229 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.983 -1.136 5.101 1.00 25.00 N ATOM 0 H GLN A 105 -10.742 -5.575 4.985 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.165 -4.876 2.307 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.219 -3.429 4.780 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.142 -2.607 3.234 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.662 -3.372 3.025 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.557 -3.535 4.767 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.347 -1.816 5.768 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.142 -0.140 5.251 1.00 25.00 H new ATOM 1769 N THR A 106 -8.013 -5.058 3.206 1.00 25.00 N ATOM 1770 CA THR A 106 -6.664 -5.066 2.656 1.00 25.00 C ATOM 1771 C THR A 106 -6.610 -6.088 1.523 1.00 25.00 C ATOM 1772 O THR A 106 -6.071 -5.800 0.469 1.00 25.00 O ATOM 1773 CB THR A 106 -5.599 -5.392 3.724 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.748 -4.508 4.834 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.193 -5.200 3.181 1.00 25.00 C ATOM 0 H THR A 106 -8.082 -5.349 4.181 1.00 25.00 H new ATOM 0 HA THR A 106 -6.435 -4.068 2.282 1.00 25.00 H new ATOM 0 HB THR A 106 -5.741 -6.432 4.019 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.601 -4.687 5.282 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.467 -5.438 3.958 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.040 -5.860 2.327 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.062 -4.164 2.867 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.227 -7.250 1.704 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.292 -8.242 0.622 1.00 25.00 C ATOM 1785 C GLU A 107 -8.028 -7.699 -0.603 1.00 25.00 C ATOM 1786 O GLU A 107 -7.588 -7.920 -1.723 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.987 -9.527 1.077 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.223 -10.276 2.135 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.853 -11.611 2.492 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.937 -11.943 1.973 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.228 -12.349 3.287 1.00 25.00 O ATOM 0 H GLU A 107 -7.684 -7.531 2.571 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.259 -8.463 0.353 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.977 -9.280 1.460 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.132 -10.178 0.215 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.203 -10.443 1.788 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.158 -9.660 3.032 1.00 25.00 H new ATOM 1798 N GLU A 108 -9.129 -6.983 -0.400 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.887 -6.408 -1.522 1.00 25.00 C ATOM 1800 C GLU A 108 -9.027 -5.411 -2.294 1.00 25.00 C ATOM 1801 O GLU A 108 -8.987 -5.417 -3.527 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.132 -5.658 -1.022 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.232 -6.526 -0.431 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.384 -5.676 0.099 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.144 -4.851 1.008 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.511 -5.773 -0.420 1.00 25.00 O ATOM 0 H GLU A 108 -9.520 -6.784 0.521 1.00 25.00 H new ATOM 0 HA GLU A 108 -10.184 -7.237 -2.165 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.820 -4.936 -0.268 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.550 -5.090 -1.853 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.604 -7.213 -1.191 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.824 -7.134 0.377 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.345 -4.544 -1.559 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.516 -3.504 -2.162 1.00 25.00 C ATOM 1815 C ILE A 109 -6.348 -4.153 -2.894 1.00 25.00 C ATOM 1816 O ILE A 109 -6.000 -3.729 -3.978 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.010 -2.486 -1.087 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.214 -1.717 -0.498 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.003 -1.473 -1.703 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.935 -1.031 0.843 1.00 25.00 C ATOM 0 H ILE A 109 -8.348 -4.539 -0.539 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.118 -2.942 -2.876 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.500 -3.044 -0.301 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.535 -0.964 -1.217 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.045 -2.411 -0.371 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.669 -0.778 -0.933 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.144 -2.012 -2.103 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.490 -0.918 -2.505 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.834 -0.516 1.182 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.645 -1.779 1.581 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.127 -0.309 0.721 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.786 -5.215 -2.339 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.670 -5.917 -2.976 1.00 25.00 C ATOM 1834 C LEU A 110 -5.029 -6.479 -4.353 1.00 25.00 C ATOM 1835 O LEU A 110 -4.212 -6.442 -5.260 1.00 25.00 O ATOM 1836 CB LEU A 110 -4.185 -7.045 -2.060 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.935 -6.756 -1.207 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.887 -5.351 -0.587 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.841 -7.802 -0.092 1.00 25.00 C ATOM 0 H LEU A 110 -6.081 -5.614 -1.448 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.875 -5.188 -3.131 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -5.001 -7.312 -1.388 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.981 -7.920 -2.677 1.00 25.00 H new ATOM 0 HG LEU A 110 -2.086 -6.808 -1.889 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.972 -5.241 -0.005 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.905 -4.603 -1.379 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.750 -5.211 0.064 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.959 -7.606 0.518 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.733 -7.749 0.533 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.764 -8.796 -0.532 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.248 -6.973 -4.534 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.663 -7.465 -5.859 1.00 25.00 C ATOM 1853 C LYS A 111 -6.812 -6.307 -6.839 1.00 25.00 C ATOM 1854 O LYS A 111 -6.624 -6.467 -8.038 1.00 25.00 O ATOM 1855 CB LYS A 111 -8.016 -8.198 -5.785 1.00 25.00 C ATOM 1856 CG LYS A 111 -8.108 -9.308 -4.742 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.158 -10.465 -4.996 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.683 -11.069 -3.680 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.784 -11.495 -2.744 1.00 25.00 N ATOM 0 H LYS A 111 -6.957 -7.047 -3.805 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.889 -8.154 -6.198 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.795 -7.465 -5.579 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.232 -8.625 -6.764 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.900 -8.888 -3.758 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -9.130 -9.687 -4.717 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.657 -11.228 -5.593 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.301 -10.119 -5.574 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.057 -11.934 -3.899 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.053 -10.341 -3.169 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.369 -11.877 -1.871 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.381 -10.675 -2.514 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.364 -12.227 -3.201 1.00 25.00 H new ATOM 1873 N SER A 112 -7.252 -5.174 -6.317 1.00 25.00 N ATOM 1874 CA SER A 112 -7.572 -3.999 -7.124 1.00 25.00 C ATOM 1875 C SER A 112 -6.382 -3.098 -7.490 1.00 25.00 C ATOM 1876 O SER A 112 -6.411 -2.408 -8.509 1.00 25.00 O ATOM 1877 CB SER A 112 -8.604 -3.168 -6.352 1.00 25.00 C ATOM 1878 OG SER A 112 -9.157 -2.138 -7.154 1.00 25.00 O ATOM 0 H SER A 112 -7.399 -5.039 -5.317 1.00 25.00 H new ATOM 0 HA SER A 112 -7.945 -4.376 -8.076 1.00 25.00 H new ATOM 0 HB2 SER A 112 -9.402 -3.819 -5.996 1.00 25.00 H new ATOM 0 HB3 SER A 112 -8.133 -2.730 -5.472 1.00 25.00 H new ATOM 0 HG SER A 112 -9.811 -1.631 -6.630 1.00 25.00 H new ATOM 1884 N ASN A 113 -5.399 -3.004 -6.605 1.00 25.00 N ATOM 1885 CA ASN A 113 -4.380 -1.960 -6.714 1.00 25.00 C ATOM 1886 C ASN A 113 -3.131 -2.296 -7.522 1.00 25.00 C ATOM 1887 O ASN A 113 -2.893 -3.429 -7.937 1.00 25.00 O ATOM 1888 CB ASN A 113 -3.974 -1.475 -5.314 1.00 25.00 C ATOM 1889 CG ASN A 113 -2.835 -2.273 -4.709 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -2.810 -3.490 -4.735 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -1.888 -1.576 -4.150 1.00 25.00 N ATOM 0 H ASN A 113 -5.283 -3.631 -5.809 1.00 25.00 H new ATOM 0 HA ASN A 113 -4.870 -1.176 -7.292 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.683 -0.426 -5.371 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -4.839 -1.531 -4.653 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -1.095 -2.049 -3.717 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -1.939 -0.557 -4.145 1.00 25.00 H new ATOM 1898 N SER A 114 -2.333 -1.263 -7.748 1.00 25.00 N ATOM 1899 CA SER A 114 -1.107 -1.376 -8.521 1.00 25.00 C ATOM 1900 C SER A 114 0.013 -2.024 -7.718 1.00 25.00 C ATOM 1901 O SER A 114 0.796 -1.336 -7.065 1.00 25.00 O ATOM 1902 CB SER A 114 -0.661 0.014 -8.970 1.00 25.00 C ATOM 1903 OG SER A 114 -1.683 0.644 -9.724 1.00 25.00 O ATOM 0 H SER A 114 -2.518 -0.322 -7.400 1.00 25.00 H new ATOM 0 HA SER A 114 -1.315 -2.010 -9.383 1.00 25.00 H new ATOM 0 HB2 SER A 114 -0.416 0.622 -8.100 1.00 25.00 H new ATOM 0 HB3 SER A 114 0.246 -0.065 -9.570 1.00 25.00 H new ATOM 0 HG SER A 114 -1.382 1.534 -10.003 1.00 25.00 H new ATOM 1909 N GLN A 115 0.122 -3.341 -7.809 1.00 25.00 N ATOM 1910 CA GLN A 115 1.209 -4.085 -7.167 1.00 25.00 C ATOM 1911 C GLN A 115 2.511 -3.961 -7.973 1.00 25.00 C ATOM 1912 O GLN A 115 3.108 -4.960 -8.368 1.00 25.00 O ATOM 1913 CB GLN A 115 0.849 -5.567 -7.055 1.00 25.00 C ATOM 1914 CG GLN A 115 -0.400 -5.870 -6.241 1.00 25.00 C ATOM 1915 CD GLN A 115 -0.568 -7.358 -6.043 1.00 25.00 C ATOM 1916 OE1 GLN A 115 0.399 -8.101 -6.086 1.00 25.00 O ATOM 1917 NE2 GLN A 115 -1.769 -7.795 -5.817 1.00 25.00 N ATOM 0 H GLN A 115 -0.534 -3.927 -8.326 1.00 25.00 H new ATOM 0 HA GLN A 115 1.354 -3.660 -6.174 1.00 25.00 H new ATOM 0 HB2 GLN A 115 0.715 -5.969 -8.059 1.00 25.00 H new ATOM 0 HB3 GLN A 115 1.691 -6.096 -6.609 1.00 25.00 H new ATOM 0 HG2 GLN A 115 -0.336 -5.375 -5.272 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -1.276 -5.466 -6.748 1.00 25.00 H new ATOM 0 HE21 GLN A 115 -2.552 -7.142 -5.789 1.00 25.00 H new ATOM 0 HE22 GLN A 115 -1.930 -8.791 -5.668 1.00 25.00 H new ATOM 1926 N THR A 116 2.935 -2.740 -8.246 1.00 25.00 N ATOM 1927 CA THR A 116 4.145 -2.512 -9.023 1.00 25.00 C ATOM 1928 C THR A 116 5.347 -3.013 -8.238 1.00 25.00 C ATOM 1929 O THR A 116 5.368 -2.973 -7.002 1.00 25.00 O ATOM 1930 CB THR A 116 4.327 -1.016 -9.345 1.00 25.00 C ATOM 1931 OG1 THR A 116 4.172 -0.250 -8.149 1.00 25.00 O ATOM 1932 CG2 THR A 116 3.279 -0.546 -10.339 1.00 25.00 C ATOM 0 H THR A 116 2.461 -1.890 -7.942 1.00 25.00 H new ATOM 0 HA THR A 116 4.058 -3.055 -9.964 1.00 25.00 H new ATOM 0 HB THR A 116 5.321 -0.880 -9.770 1.00 25.00 H new ATOM 0 HG1 THR A 116 4.289 0.701 -8.352 1.00 25.00 H new ATOM 0 HG21 THR A 116 3.428 0.513 -10.551 1.00 25.00 H new ATOM 0 HG22 THR A 116 3.371 -1.117 -11.263 1.00 25.00 H new ATOM 0 HG23 THR A 116 2.285 -0.696 -9.918 1.00 25.00 H new ATOM 1940 N ASP A 117 6.339 -3.515 -8.955 1.00 25.00 N ATOM 1941 CA ASP A 117 7.529 -4.070 -8.332 1.00 25.00 C ATOM 1942 C ASP A 117 8.754 -3.642 -9.104 1.00 25.00 C ATOM 1943 O ASP A 117 8.667 -3.311 -10.287 1.00 25.00 O ATOM 1944 CB ASP A 117 7.449 -5.594 -8.296 1.00 25.00 C ATOM 1945 CG ASP A 117 7.616 -6.134 -6.902 1.00 25.00 C ATOM 1946 OD1 ASP A 117 8.507 -5.639 -6.170 1.00 25.00 O ATOM 1947 OD2 ASP A 117 6.782 -6.959 -6.482 1.00 25.00 O ATOM 0 H ASP A 117 6.343 -3.549 -9.974 1.00 25.00 H new ATOM 0 HA ASP A 117 7.596 -3.698 -7.309 1.00 25.00 H new ATOM 0 HB2 ASP A 117 6.488 -5.916 -8.697 1.00 25.00 H new ATOM 0 HB3 ASP A 117 8.221 -6.013 -8.942 1.00 25.00 H new ATOM 1952 N LEU A 118 9.887 -3.614 -8.422 1.00 25.00 N ATOM 1953 CA LEU A 118 11.138 -3.162 -9.014 1.00 25.00 C ATOM 1954 C LEU A 118 12.214 -4.199 -8.740 1.00 25.00 C ATOM 1955 O LEU A 118 12.141 -4.921 -7.761 1.00 25.00 O ATOM 1956 CB LEU A 118 11.551 -1.821 -8.383 1.00 25.00 C ATOM 1957 CG LEU A 118 10.530 -0.672 -8.495 1.00 25.00 C ATOM 1958 CD1 LEU A 118 10.990 0.503 -7.630 1.00 25.00 C ATOM 1959 CD2 LEU A 118 10.349 -0.202 -9.942 1.00 25.00 C ATOM 0 H LEU A 118 9.967 -3.902 -7.447 1.00 25.00 H new ATOM 0 HA LEU A 118 11.011 -3.031 -10.089 1.00 25.00 H new ATOM 0 HB2 LEU A 118 11.762 -1.990 -7.327 1.00 25.00 H new ATOM 0 HB3 LEU A 118 12.483 -1.497 -8.846 1.00 25.00 H new ATOM 0 HG LEU A 118 9.568 -1.047 -8.146 1.00 25.00 H new ATOM 0 HD11 LEU A 118 10.269 1.317 -7.708 1.00 25.00 H new ATOM 0 HD12 LEU A 118 11.064 0.183 -6.591 1.00 25.00 H new ATOM 0 HD13 LEU A 118 11.965 0.848 -7.974 1.00 25.00 H new ATOM 0 HD21 LEU A 118 9.621 0.608 -9.973 1.00 25.00 H new ATOM 0 HD22 LEU A 118 11.303 0.153 -10.331 1.00 25.00 H new ATOM 0 HD23 LEU A 118 9.994 -1.032 -10.553 1.00 25.00 H new ATOM 1971 N GLU A 119 13.265 -4.193 -9.546 1.00 25.00 N ATOM 1972 CA GLU A 119 14.432 -5.066 -9.332 1.00 25.00 C ATOM 1973 C GLU A 119 15.272 -4.572 -8.136 1.00 25.00 C ATOM 1974 O GLU A 119 16.293 -5.171 -7.762 1.00 25.00 O ATOM 1975 CB GLU A 119 15.288 -5.076 -10.608 1.00 25.00 C ATOM 1976 CG GLU A 119 15.175 -6.360 -11.432 1.00 25.00 C ATOM 1977 CD GLU A 119 16.149 -7.415 -10.944 1.00 25.00 C ATOM 1978 OE1 GLU A 119 16.083 -7.751 -9.747 1.00 25.00 O ATOM 1979 OE2 GLU A 119 17.034 -7.848 -11.709 1.00 25.00 O ATOM 0 H GLU A 119 13.343 -3.590 -10.365 1.00 25.00 H new ATOM 0 HA GLU A 119 14.087 -6.076 -9.109 1.00 25.00 H new ATOM 0 HB2 GLU A 119 14.998 -4.231 -11.232 1.00 25.00 H new ATOM 0 HB3 GLU A 119 16.332 -4.926 -10.332 1.00 25.00 H new ATOM 0 HG2 GLU A 119 14.157 -6.745 -11.371 1.00 25.00 H new ATOM 0 HG3 GLU A 119 15.370 -6.140 -12.482 1.00 25.00 H new ATOM 1986 N HIS A 120 14.821 -3.466 -7.544 1.00 25.00 N ATOM 1987 CA HIS A 120 15.496 -2.797 -6.421 1.00 25.00 C ATOM 1988 C HIS A 120 16.893 -2.364 -6.906 1.00 25.00 C ATOM 1989 O HIS A 120 17.178 -2.400 -8.096 1.00 25.00 O ATOM 1990 CB HIS A 120 15.560 -3.714 -5.172 1.00 25.00 C ATOM 1991 CG HIS A 120 14.322 -4.539 -4.956 1.00 25.00 C ATOM 1992 ND1 HIS A 120 13.227 -4.136 -4.176 1.00 25.00 N ATOM 1993 CD2 HIS A 120 13.971 -5.774 -5.416 1.00 25.00 C ATOM 1994 CE1 HIS A 120 12.308 -5.093 -4.200 1.00 25.00 C ATOM 1995 NE2 HIS A 120 12.731 -6.078 -4.943 1.00 25.00 N ATOM 0 H HIS A 120 13.962 -2.998 -7.833 1.00 25.00 H new ATOM 0 HA HIS A 120 14.934 -1.917 -6.107 1.00 25.00 H new ATOM 0 HB2 HIS A 120 16.417 -4.381 -5.267 1.00 25.00 H new ATOM 0 HB3 HIS A 120 15.732 -3.098 -4.290 1.00 25.00 H new ATOM 0 HD1 HIS A 120 13.150 -3.252 -3.673 1.00 25.00 H new ATOM 0 HD2 HIS A 120 14.576 -6.406 -6.050 1.00 25.00 H new ATOM 0 HE1 HIS A 120 11.359 -5.061 -3.685 1.00 25.00 H new ATOM 2003 N HIS A 121 17.755 -1.918 -6.001 1.00 25.00 N ATOM 2004 CA HIS A 121 19.111 -1.482 -6.390 1.00 25.00 C ATOM 2005 C HIS A 121 20.202 -2.141 -5.541 1.00 25.00 C ATOM 2006 O HIS A 121 21.281 -1.603 -5.398 1.00 25.00 O ATOM 2007 CB HIS A 121 19.228 0.053 -6.326 1.00 25.00 C ATOM 2008 CG HIS A 121 18.388 0.764 -7.347 1.00 25.00 C ATOM 2009 ND1 HIS A 121 17.791 2.011 -7.130 1.00 25.00 N ATOM 2010 CD2 HIS A 121 18.039 0.436 -8.622 1.00 25.00 C ATOM 2011 CE1 HIS A 121 17.129 2.365 -8.227 1.00 25.00 C ATOM 2012 NE2 HIS A 121 17.267 1.433 -9.131 1.00 25.00 N ATOM 0 H HIS A 121 17.554 -1.845 -5.004 1.00 25.00 H new ATOM 0 HA HIS A 121 19.267 -1.806 -7.419 1.00 25.00 H new ATOM 0 HB2 HIS A 121 18.937 0.390 -5.331 1.00 25.00 H new ATOM 0 HB3 HIS A 121 20.271 0.335 -6.466 1.00 25.00 H new ATOM 0 HD2 HIS A 121 18.327 -0.466 -9.142 1.00 25.00 H new ATOM 0 HE1 HIS A 121 16.566 3.278 -8.351 1.00 25.00 H new ATOM 0 HE2 HIS A 121 16.862 1.450 -10.067 1.00 25.00 H new ATOM 2020 N HIS A 122 19.916 -3.317 -4.993 1.00 25.00 N ATOM 2021 CA HIS A 122 20.910 -4.051 -4.189 1.00 25.00 C ATOM 2022 C HIS A 122 20.972 -5.538 -4.559 1.00 25.00 C ATOM 2023 O HIS A 122 21.285 -6.379 -3.737 1.00 25.00 O ATOM 2024 CB HIS A 122 20.656 -3.857 -2.676 1.00 25.00 C ATOM 2025 CG HIS A 122 19.323 -4.357 -2.197 1.00 25.00 C ATOM 2026 ND1 HIS A 122 18.304 -3.519 -1.725 1.00 25.00 N ATOM 2027 CD2 HIS A 122 18.822 -5.615 -2.055 1.00 25.00 C ATOM 2028 CE1 HIS A 122 17.272 -4.269 -1.348 1.00 25.00 C ATOM 2029 NE2 HIS A 122 17.565 -5.528 -1.539 1.00 25.00 N ATOM 0 H HIS A 122 19.015 -3.786 -5.084 1.00 25.00 H new ATOM 0 HA HIS A 122 21.887 -3.627 -4.424 1.00 25.00 H new ATOM 0 HB2 HIS A 122 21.442 -4.368 -2.120 1.00 25.00 H new ATOM 0 HB3 HIS A 122 20.737 -2.796 -2.440 1.00 25.00 H new ATOM 0 HD2 HIS A 122 19.336 -6.530 -2.309 1.00 25.00 H new ATOM 0 HE1 HIS A 122 16.341 -3.897 -0.948 1.00 25.00 H new ATOM 0 HE2 HIS A 122 16.952 -6.317 -1.335 1.00 25.00 H new ATOM 2037 N HIS A 123 20.652 -5.857 -5.809 1.00 25.00 N ATOM 2038 CA HIS A 123 20.669 -7.256 -6.268 1.00 25.00 C ATOM 2039 C HIS A 123 22.100 -7.764 -6.522 1.00 25.00 C ATOM 2040 O HIS A 123 22.316 -8.951 -6.724 1.00 25.00 O ATOM 2041 CB HIS A 123 19.820 -7.405 -7.541 1.00 25.00 C ATOM 2042 CG HIS A 123 19.206 -8.765 -7.703 1.00 25.00 C ATOM 2043 ND1 HIS A 123 18.067 -9.006 -8.470 1.00 25.00 N ATOM 2044 CD2 HIS A 123 19.546 -9.987 -7.206 1.00 25.00 C ATOM 2045 CE1 HIS A 123 17.766 -10.293 -8.408 1.00 25.00 C ATOM 2046 NE2 HIS A 123 18.641 -10.901 -7.654 1.00 25.00 N ATOM 0 H HIS A 123 20.380 -5.180 -6.521 1.00 25.00 H new ATOM 0 HA HIS A 123 20.242 -7.867 -5.473 1.00 25.00 H new ATOM 0 HB2 HIS A 123 19.027 -6.658 -7.527 1.00 25.00 H new ATOM 0 HB3 HIS A 123 20.443 -7.192 -8.409 1.00 25.00 H new ATOM 0 HD1 HIS A 123 17.548 -8.302 -8.995 1.00 25.00 H new ATOM 0 HD2 HIS A 123 20.390 -10.196 -6.565 1.00 25.00 H new ATOM 0 HE1 HIS A 123 16.930 -10.765 -8.902 1.00 25.00 H new ATOM 2054 N HIS A 124 23.068 -6.859 -6.497 1.00 25.00 N ATOM 2055 CA HIS A 124 24.484 -7.209 -6.639 1.00 25.00 C ATOM 2056 C HIS A 124 25.213 -6.622 -5.446 1.00 25.00 C ATOM 2057 O HIS A 124 24.709 -5.693 -4.815 1.00 25.00 O ATOM 2058 CB HIS A 124 25.084 -6.609 -7.923 1.00 25.00 C ATOM 2059 CG HIS A 124 24.729 -7.359 -9.169 1.00 25.00 C ATOM 2060 ND1 HIS A 124 25.436 -8.479 -9.620 1.00 25.00 N ATOM 2061 CD2 HIS A 124 23.761 -7.165 -10.106 1.00 25.00 C ATOM 2062 CE1 HIS A 124 24.891 -8.901 -10.755 1.00 25.00 C ATOM 2063 NE2 HIS A 124 23.884 -8.125 -11.062 1.00 25.00 N ATOM 0 H HIS A 124 22.899 -5.860 -6.378 1.00 25.00 H new ATOM 0 HA HIS A 124 24.586 -8.293 -6.692 1.00 25.00 H new ATOM 0 HB2 HIS A 124 24.745 -5.578 -8.023 1.00 25.00 H new ATOM 0 HB3 HIS A 124 26.169 -6.580 -7.826 1.00 25.00 H new ATOM 0 HD2 HIS A 124 23.019 -6.380 -10.093 1.00 25.00 H new ATOM 0 HE1 HIS A 124 25.226 -9.750 -11.333 1.00 25.00 H new ATOM 0 HE2 HIS A 124 23.288 -8.224 -11.884 1.00 25.00 H new ATOM 2071 N HIS A 125 26.412 -7.124 -5.205 1.00 25.00 N ATOM 2072 CA HIS A 125 27.353 -6.568 -4.248 1.00 25.00 C ATOM 2073 C HIS A 125 28.661 -6.903 -4.933 1.00 25.00 C ATOM 2074 O HIS A 125 29.743 -6.598 -4.420 1.00 25.00 O ATOM 2075 CB HIS A 125 27.255 -7.226 -2.858 1.00 25.00 C ATOM 2076 CG HIS A 125 27.641 -8.677 -2.837 1.00 25.00 C ATOM 2077 ND1 HIS A 125 26.796 -9.697 -2.390 1.00 25.00 N ATOM 2078 CD2 HIS A 125 28.796 -9.314 -3.175 1.00 25.00 C ATOM 2079 CE1 HIS A 125 27.440 -10.857 -2.480 1.00 25.00 C ATOM 2080 NE2 HIS A 125 28.639 -10.645 -2.952 1.00 25.00 N ATOM 2081 OXT HIS A 125 28.535 -7.601 -5.975 1.00 25.00 O ATOM 0 H HIS A 125 26.767 -7.952 -5.683 1.00 25.00 H new ATOM 0 HA HIS A 125 27.197 -5.511 -4.034 1.00 25.00 H new ATOM 0 HB2 HIS A 125 27.895 -6.681 -2.164 1.00 25.00 H new ATOM 0 HB3 HIS A 125 26.233 -7.128 -2.493 1.00 25.00 H new ATOM 0 HD2 HIS A 125 29.688 -8.840 -3.557 1.00 25.00 H new ATOM 0 HE1 HIS A 125 27.036 -11.820 -2.206 1.00 25.00 H new ATOM 0 HE2 HIS A 125 29.343 -11.362 -3.125 1.00 25.00 H new TER 2089 HIS A 125