USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 THR OG1 : rot 180:sc= 0.0491 USER MOD Set 1.2: A 55 GLN : amide:sc= -0.261 X(o=-0.16,f=0.13) USER MOD Set 1.3: A 58 LYS NZ :NH3+ -158:sc= 0.047 (180deg=0) USER MOD Set 2.1: A 27 ASN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Set 2.2: A 30 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 6 SER OG : rot -97:sc= 0.243 USER MOD Set 3.2: A 8 HIS : no HD1:sc= -0.521 X(o=-0.28,f=-0.075) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 1.24 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -2.46 K(o=-2.5,f=-4.3!) USER MOD Single : A 12 GLN : amide:sc= -0.0712 X(o=-0.071,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.839 K(o=0.84,f=-0.57) USER MOD Single : A 23 THR OG1 : rot 75:sc= 0.00619 USER MOD Single : A 24 HIS : no HE2:sc= -3.41 K(o=-3.4,f=-8.5!) USER MOD Single : A 29 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.1!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.27) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 98:sc= 0.839 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 92:sc= -0.736 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00945) USER MOD Single : A 67 GLN : amide:sc= -2.69 K(o=-2.7,f=-8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0861) USER MOD Single : A 74 SER OG : rot -130:sc= -0.0454 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.51) USER MOD Single : A 83 GLN : amide:sc= -0.515 K(o=-0.52,f=-2.7!) USER MOD Single : A 88 TYR OH : rot -20:sc= 0.00757 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.365 2.539 18.278 1.00 0.00 N ATOM 2 CA GLY A 1 -13.451 2.468 17.104 1.00 0.00 C ATOM 3 C GLY A 1 -12.133 1.796 17.434 1.00 0.00 C ATOM 4 O GLY A 1 -11.866 0.682 16.984 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.251 3.007 18.000 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.572 1.577 18.615 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.911 3.083 19.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.942 1.922 16.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.259 3.476 16.736 1.00 0.00 H new ATOM 10 N SER A 2 -11.307 2.476 18.222 1.00 0.00 N ATOM 11 CA SER A 2 -10.008 1.939 18.613 1.00 0.00 C ATOM 12 C SER A 2 -9.350 2.825 19.666 1.00 0.00 C ATOM 13 O SER A 2 -8.993 2.360 20.748 1.00 0.00 O ATOM 14 CB SER A 2 -9.096 1.815 17.392 1.00 0.00 C ATOM 15 OG SER A 2 -9.202 0.529 16.805 1.00 0.00 O ATOM 0 H SER A 2 -11.513 3.400 18.602 1.00 0.00 H new ATOM 0 HA SER A 2 -10.165 0.949 19.042 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.360 2.576 16.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.063 2.000 17.686 1.00 0.00 H new ATOM 0 HG SER A 2 -10.147 0.280 16.731 1.00 0.00 H new ATOM 21 N SER A 3 -9.192 4.104 19.341 1.00 0.00 N ATOM 22 CA SER A 3 -8.578 5.056 20.258 1.00 0.00 C ATOM 23 C SER A 3 -9.214 6.435 20.115 1.00 0.00 C ATOM 24 O SER A 3 -9.573 7.070 21.107 1.00 0.00 O ATOM 25 CB SER A 3 -7.073 5.147 19.999 1.00 0.00 C ATOM 26 OG SER A 3 -6.788 5.076 18.613 1.00 0.00 O ATOM 0 H SER A 3 -9.481 4.505 18.449 1.00 0.00 H new ATOM 0 HA SER A 3 -8.744 4.702 21.275 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.687 6.082 20.405 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.562 4.338 20.520 1.00 0.00 H new ATOM 0 HG SER A 3 -5.820 5.138 18.475 1.00 0.00 H new ATOM 32 N GLY A 4 -9.352 6.892 18.875 1.00 0.00 N ATOM 33 CA GLY A 4 -9.947 8.191 18.625 1.00 0.00 C ATOM 34 C GLY A 4 -8.953 9.325 18.780 1.00 0.00 C ATOM 35 O GLY A 4 -9.005 10.076 19.755 1.00 0.00 O ATOM 0 H GLY A 4 -9.062 6.385 18.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.360 8.210 17.616 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.778 8.345 19.313 1.00 0.00 H new ATOM 39 N SER A 5 -8.046 9.451 17.817 1.00 0.00 N ATOM 40 CA SER A 5 -7.036 10.503 17.851 1.00 0.00 C ATOM 41 C SER A 5 -6.784 11.058 16.453 1.00 0.00 C ATOM 42 O SER A 5 -6.746 12.273 16.255 1.00 0.00 O ATOM 43 CB SER A 5 -5.732 9.966 18.443 1.00 0.00 C ATOM 44 OG SER A 5 -5.468 8.650 17.991 1.00 0.00 O ATOM 0 H SER A 5 -7.989 8.838 17.004 1.00 0.00 H new ATOM 0 HA SER A 5 -7.407 11.311 18.482 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.906 10.621 18.165 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.793 9.974 19.531 1.00 0.00 H new ATOM 0 HG SER A 5 -4.628 8.332 18.383 1.00 0.00 H new ATOM 50 N SER A 6 -6.610 10.162 15.488 1.00 0.00 N ATOM 51 CA SER A 6 -6.361 10.562 14.108 1.00 0.00 C ATOM 52 C SER A 6 -7.658 10.581 13.304 1.00 0.00 C ATOM 53 O SER A 6 -8.552 9.768 13.530 1.00 0.00 O ATOM 54 CB SER A 6 -5.352 9.614 13.454 1.00 0.00 C ATOM 55 OG SER A 6 -4.259 10.332 12.909 1.00 0.00 O ATOM 0 H SER A 6 -6.637 9.153 15.636 1.00 0.00 H new ATOM 0 HA SER A 6 -5.947 11.570 14.117 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.990 8.898 14.192 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.843 9.041 12.668 1.00 0.00 H new ATOM 0 HG SER A 6 -4.405 10.472 11.950 1.00 0.00 H new ATOM 61 N GLY A 7 -7.751 11.517 12.364 1.00 0.00 N ATOM 62 CA GLY A 7 -8.941 11.625 11.540 1.00 0.00 C ATOM 63 C GLY A 7 -8.618 11.661 10.060 1.00 0.00 C ATOM 64 O GLY A 7 -8.820 12.679 9.397 1.00 0.00 O ATOM 0 H GLY A 7 -7.024 12.202 12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.599 10.781 11.745 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.487 12.528 11.812 1.00 0.00 H new ATOM 68 N HIS A 8 -8.115 10.546 9.539 1.00 0.00 N ATOM 69 CA HIS A 8 -7.762 10.452 8.127 1.00 0.00 C ATOM 70 C HIS A 8 -8.596 9.381 7.426 1.00 0.00 C ATOM 71 O HIS A 8 -8.314 8.189 7.548 1.00 0.00 O ATOM 72 CB HIS A 8 -6.273 10.134 7.975 1.00 0.00 C ATOM 73 CG HIS A 8 -5.376 11.172 8.573 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.989 11.183 9.896 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.781 12.250 8.001 1.00 0.00 C ATOM 76 CE1 HIS A 8 -4.193 12.244 10.082 1.00 0.00 C ATOM 77 NE2 HIS A 8 -4.035 12.925 8.963 1.00 0.00 N ATOM 0 H HIS A 8 -7.943 9.695 10.074 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.973 11.414 7.660 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.065 9.172 8.444 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.038 10.029 6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.872 12.538 6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.739 12.508 11.026 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.481 13.771 8.830 1.00 0.00 H new ATOM 85 N PRO A 9 -9.638 9.789 6.680 1.00 0.00 N ATOM 86 CA PRO A 9 -10.508 8.853 5.961 1.00 0.00 C ATOM 87 C PRO A 9 -9.720 7.859 5.112 1.00 0.00 C ATOM 88 O PRO A 9 -10.195 6.761 4.823 1.00 0.00 O ATOM 89 CB PRO A 9 -11.353 9.766 5.070 1.00 0.00 C ATOM 90 CG PRO A 9 -11.381 11.070 5.786 1.00 0.00 C ATOM 91 CD PRO A 9 -10.051 11.192 6.477 1.00 0.00 C ATOM 0 HA PRO A 9 -11.095 8.238 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.914 9.868 4.078 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.358 9.367 4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.536 11.894 5.090 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.199 11.103 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.331 11.738 5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.138 11.726 7.423 1.00 0.00 H new ATOM 99 N HIS A 10 -8.515 8.255 4.714 1.00 0.00 N ATOM 100 CA HIS A 10 -7.662 7.399 3.896 1.00 0.00 C ATOM 101 C HIS A 10 -6.901 6.399 4.762 1.00 0.00 C ATOM 102 O HIS A 10 -6.968 5.191 4.536 1.00 0.00 O ATOM 103 CB HIS A 10 -6.677 8.247 3.091 1.00 0.00 C ATOM 104 CG HIS A 10 -7.340 9.221 2.167 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.696 10.501 2.528 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.713 9.081 0.869 1.00 0.00 C ATOM 107 CE1 HIS A 10 -8.261 11.086 1.464 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.295 10.266 0.431 1.00 0.00 N ATOM 0 H HIS A 10 -8.108 9.161 4.944 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.300 6.844 3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.033 8.793 3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.034 7.587 2.509 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.555 10.928 3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.579 8.191 0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.640 12.097 1.453 1.00 0.00 H new ATOM 116 N ILE A 11 -6.178 6.911 5.753 1.00 0.00 N ATOM 117 CA ILE A 11 -5.404 6.062 6.651 1.00 0.00 C ATOM 118 C ILE A 11 -6.319 5.210 7.525 1.00 0.00 C ATOM 119 O ILE A 11 -5.977 4.084 7.886 1.00 0.00 O ATOM 120 CB ILE A 11 -4.478 6.896 7.558 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.651 7.872 6.719 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.571 5.986 8.371 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.713 8.730 7.540 1.00 0.00 C ATOM 0 H ILE A 11 -6.112 7.909 5.954 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.794 5.412 6.023 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.094 7.472 8.249 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.070 7.309 5.989 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.326 8.519 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.924 6.591 9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.178 5.329 8.993 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.960 5.385 7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.159 9.398 6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.289 9.320 8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.014 8.091 8.080 1.00 0.00 H new ATOM 135 N GLN A 12 -7.483 5.755 7.860 1.00 0.00 N ATOM 136 CA GLN A 12 -8.449 5.046 8.691 1.00 0.00 C ATOM 137 C GLN A 12 -9.024 3.842 7.952 1.00 0.00 C ATOM 138 O GLN A 12 -9.364 2.830 8.564 1.00 0.00 O ATOM 139 CB GLN A 12 -9.579 5.987 9.113 1.00 0.00 C ATOM 140 CG GLN A 12 -9.185 6.957 10.215 1.00 0.00 C ATOM 141 CD GLN A 12 -9.989 6.756 11.486 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.569 7.699 12.023 1.00 0.00 O ATOM 143 NE2 GLN A 12 -10.024 5.521 11.973 1.00 0.00 N ATOM 0 H GLN A 12 -7.781 6.686 7.569 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.931 4.689 9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.912 6.554 8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.428 5.393 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.125 6.837 10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.322 7.979 9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.528 4.770 11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.547 5.324 12.826 1.00 0.00 H new ATOM 152 N LEU A 13 -9.129 3.960 6.633 1.00 0.00 N ATOM 153 CA LEU A 13 -9.663 2.882 5.809 1.00 0.00 C ATOM 154 C LEU A 13 -8.783 1.640 5.901 1.00 0.00 C ATOM 155 O LEU A 13 -9.271 0.513 5.812 1.00 0.00 O ATOM 156 CB LEU A 13 -9.778 3.333 4.353 1.00 0.00 C ATOM 157 CG LEU A 13 -11.076 4.060 4.001 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.939 4.786 2.672 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.240 3.081 3.958 1.00 0.00 C ATOM 0 H LEU A 13 -8.851 4.791 6.111 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.655 2.631 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.938 3.990 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.683 2.459 3.709 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.277 4.800 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.873 5.297 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.132 5.516 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.713 4.066 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.156 3.616 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.046 2.318 3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.353 2.607 4.933 1.00 0.00 H new ATOM 171 N LEU A 14 -7.484 1.853 6.082 1.00 0.00 N ATOM 172 CA LEU A 14 -6.536 0.751 6.186 1.00 0.00 C ATOM 173 C LEU A 14 -6.530 0.172 7.597 1.00 0.00 C ATOM 174 O LEU A 14 -6.538 -1.045 7.779 1.00 0.00 O ATOM 175 CB LEU A 14 -5.130 1.222 5.810 1.00 0.00 C ATOM 176 CG LEU A 14 -4.991 1.777 4.391 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.856 2.787 4.322 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.763 0.646 3.399 1.00 0.00 C ATOM 0 H LEU A 14 -7.064 2.779 6.160 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.847 -0.030 5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.820 1.992 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.440 0.386 5.926 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.918 2.286 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.772 3.171 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.060 3.611 5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.921 2.304 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.666 1.057 2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.851 0.110 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.609 -0.041 3.430 1.00 0.00 H new ATOM 190 N LYS A 15 -6.517 1.053 8.592 1.00 0.00 N ATOM 191 CA LYS A 15 -6.510 0.631 9.987 1.00 0.00 C ATOM 192 C LYS A 15 -7.784 -0.134 10.330 1.00 0.00 C ATOM 193 O LYS A 15 -7.743 -1.152 11.021 1.00 0.00 O ATOM 194 CB LYS A 15 -6.365 1.844 10.908 1.00 0.00 C ATOM 195 CG LYS A 15 -5.005 2.518 10.814 1.00 0.00 C ATOM 196 CD LYS A 15 -4.825 3.562 11.905 1.00 0.00 C ATOM 197 CE LYS A 15 -3.365 3.703 12.307 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.103 3.133 13.658 1.00 0.00 N ATOM 0 H LYS A 15 -6.511 2.064 8.457 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.658 -0.033 10.136 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.140 2.571 10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.536 1.531 11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.219 1.767 10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.898 2.989 9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.202 4.523 11.556 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.418 3.285 12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.736 3.200 11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.086 4.757 12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.097 3.249 13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.684 3.630 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.345 2.122 13.661 1.00 0.00 H new ATOM 212 N SER A 16 -8.917 0.363 9.843 1.00 0.00 N ATOM 213 CA SER A 16 -10.203 -0.275 10.097 1.00 0.00 C ATOM 214 C SER A 16 -10.345 -1.555 9.281 1.00 0.00 C ATOM 215 O SER A 16 -10.844 -2.566 9.776 1.00 0.00 O ATOM 216 CB SER A 16 -11.348 0.685 9.766 1.00 0.00 C ATOM 217 OG SER A 16 -11.740 1.425 10.909 1.00 0.00 O ATOM 0 H SER A 16 -8.970 1.205 9.270 1.00 0.00 H new ATOM 0 HA SER A 16 -10.250 -0.533 11.155 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.037 1.368 8.976 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.200 0.122 9.384 1.00 0.00 H new ATOM 0 HG SER A 16 -12.472 2.032 10.671 1.00 0.00 H new ATOM 223 N ASN A 17 -9.902 -1.505 8.030 1.00 0.00 N ATOM 224 CA ASN A 17 -9.979 -2.662 7.144 1.00 0.00 C ATOM 225 C ASN A 17 -8.606 -3.301 6.966 1.00 0.00 C ATOM 226 O ASN A 17 -8.258 -3.756 5.876 1.00 0.00 O ATOM 227 CB ASN A 17 -10.546 -2.252 5.783 1.00 0.00 C ATOM 228 CG ASN A 17 -11.879 -1.539 5.902 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.924 -2.172 6.046 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.846 -0.213 5.841 1.00 0.00 N ATOM 0 H ASN A 17 -9.486 -0.676 7.606 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.645 -3.395 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.833 -1.601 5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.666 -3.139 5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.711 0.323 5.914 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.956 0.270 5.721 1.00 0.00 H new ATOM 237 N ARG A 18 -7.828 -3.332 8.043 1.00 0.00 N ATOM 238 CA ARG A 18 -6.492 -3.915 8.006 1.00 0.00 C ATOM 239 C ARG A 18 -6.564 -5.437 7.918 1.00 0.00 C ATOM 240 O ARG A 18 -5.776 -6.065 7.212 1.00 0.00 O ATOM 241 CB ARG A 18 -5.695 -3.501 9.244 1.00 0.00 C ATOM 242 CG ARG A 18 -4.194 -3.682 9.089 1.00 0.00 C ATOM 243 CD ARG A 18 -3.486 -3.665 10.434 1.00 0.00 C ATOM 244 NE ARG A 18 -3.168 -2.306 10.870 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.997 -1.536 11.572 1.00 0.00 C ATOM 246 NH1 ARG A 18 -5.200 -1.979 11.919 1.00 0.00 N ATOM 247 NH2 ARG A 18 -3.621 -0.315 11.930 1.00 0.00 N ATOM 0 H ARG A 18 -8.100 -2.960 8.953 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.986 -3.541 7.116 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.905 -2.455 9.468 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.037 -4.085 10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.991 -4.626 8.582 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.795 -2.889 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.116 -4.147 11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.568 -4.248 10.367 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.255 -1.925 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.496 -2.917 11.648 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.828 -1.382 12.457 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.699 0.032 11.667 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.254 0.277 12.468 1.00 0.00 H new ATOM 261 N GLU A 19 -7.513 -6.021 8.642 1.00 0.00 N ATOM 262 CA GLU A 19 -7.687 -7.469 8.646 1.00 0.00 C ATOM 263 C GLU A 19 -8.335 -7.945 7.351 1.00 0.00 C ATOM 264 O GLU A 19 -8.075 -9.055 6.885 1.00 0.00 O ATOM 265 CB GLU A 19 -8.538 -7.899 9.843 1.00 0.00 C ATOM 266 CG GLU A 19 -7.726 -8.180 11.096 1.00 0.00 C ATOM 267 CD GLU A 19 -7.664 -9.658 11.433 1.00 0.00 C ATOM 268 OE1 GLU A 19 -6.861 -10.377 10.803 1.00 0.00 O ATOM 269 OE2 GLU A 19 -8.420 -10.095 12.326 1.00 0.00 O ATOM 0 H GLU A 19 -8.173 -5.515 9.233 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.701 -7.926 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.267 -7.118 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.100 -8.794 9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.714 -7.799 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.161 -7.638 11.935 1.00 0.00 H new ATOM 276 N LEU A 20 -9.180 -7.099 6.772 1.00 0.00 N ATOM 277 CA LEU A 20 -9.867 -7.433 5.530 1.00 0.00 C ATOM 278 C LEU A 20 -8.901 -7.408 4.349 1.00 0.00 C ATOM 279 O LEU A 20 -8.947 -8.276 3.478 1.00 0.00 O ATOM 280 CB LEU A 20 -11.018 -6.456 5.282 1.00 0.00 C ATOM 281 CG LEU A 20 -12.115 -6.971 4.347 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.132 -7.795 5.123 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.796 -5.811 3.638 1.00 0.00 C ATOM 0 H LEU A 20 -9.406 -6.176 7.143 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.269 -8.442 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.470 -6.200 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.609 -5.535 4.865 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.656 -7.612 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.905 -8.153 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.633 -8.646 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.587 -7.176 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.573 -6.194 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.243 -5.145 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.060 -5.260 3.052 1.00 0.00 H new ATOM 295 N LEU A 21 -8.028 -6.407 4.327 1.00 0.00 N ATOM 296 CA LEU A 21 -7.050 -6.267 3.254 1.00 0.00 C ATOM 297 C LEU A 21 -6.135 -7.486 3.187 1.00 0.00 C ATOM 298 O LEU A 21 -5.738 -7.918 2.106 1.00 0.00 O ATOM 299 CB LEU A 21 -6.219 -5.000 3.455 1.00 0.00 C ATOM 300 CG LEU A 21 -6.968 -3.689 3.209 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.243 -2.527 3.870 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.130 -3.440 1.718 1.00 0.00 C ATOM 0 H LEU A 21 -7.977 -5.680 5.041 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.592 -6.191 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.833 -4.995 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.357 -5.039 2.788 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.960 -3.771 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.791 -1.603 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.180 -2.701 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.238 -2.442 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.665 -2.503 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.147 -3.379 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.694 -4.259 1.272 1.00 0.00 H new ATOM 314 N VAL A 22 -5.804 -8.035 4.352 1.00 0.00 N ATOM 315 CA VAL A 22 -4.935 -9.204 4.425 1.00 0.00 C ATOM 316 C VAL A 22 -5.579 -10.408 3.746 1.00 0.00 C ATOM 317 O VAL A 22 -4.887 -11.272 3.206 1.00 0.00 O ATOM 318 CB VAL A 22 -4.605 -9.568 5.886 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.575 -10.687 5.938 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.112 -8.344 6.645 1.00 0.00 C ATOM 0 H VAL A 22 -6.124 -7.690 5.257 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.012 -8.947 3.906 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.517 -9.921 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.354 -10.930 6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.970 -11.569 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.661 -10.364 5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.884 -8.621 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.213 -7.957 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.886 -7.576 6.639 1.00 0.00 H new ATOM 330 N THR A 23 -6.907 -10.461 3.780 1.00 0.00 N ATOM 331 CA THR A 23 -7.644 -11.560 3.170 1.00 0.00 C ATOM 332 C THR A 23 -7.941 -11.271 1.702 1.00 0.00 C ATOM 333 O THR A 23 -8.021 -12.185 0.883 1.00 0.00 O ATOM 334 CB THR A 23 -8.950 -11.806 3.928 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.708 -11.928 5.318 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.679 -13.054 3.477 1.00 0.00 C ATOM 0 H THR A 23 -7.494 -9.755 4.224 1.00 0.00 H new ATOM 0 HA THR A 23 -7.024 -12.455 3.225 1.00 0.00 H new ATOM 0 HB THR A 23 -9.577 -10.941 3.711 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.530 -11.042 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.596 -13.169 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.925 -12.969 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.041 -13.924 3.632 1.00 0.00 H new ATOM 344 N HIS A 24 -8.106 -9.992 1.378 1.00 0.00 N ATOM 345 CA HIS A 24 -8.398 -9.581 0.010 1.00 0.00 C ATOM 346 C HIS A 24 -7.140 -9.618 -0.853 1.00 0.00 C ATOM 347 O HIS A 24 -7.076 -10.346 -1.843 1.00 0.00 O ATOM 348 CB HIS A 24 -9.000 -8.175 -0.005 1.00 0.00 C ATOM 349 CG HIS A 24 -10.408 -8.122 0.502 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.251 -9.210 0.541 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.118 -7.079 1.000 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.422 -8.804 1.049 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.394 -7.518 1.345 1.00 0.00 N ATOM 0 H HIS A 24 -8.042 -9.223 2.045 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.121 -10.283 -0.406 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.379 -7.516 0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.974 -7.788 -1.024 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.024 -10.157 0.237 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.752 -6.069 1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.278 -9.446 1.197 1.00 0.00 H new ATOM 361 N ILE A 25 -6.143 -8.828 -0.471 1.00 0.00 N ATOM 362 CA ILE A 25 -4.887 -8.770 -1.210 1.00 0.00 C ATOM 363 C ILE A 25 -4.075 -10.046 -1.016 1.00 0.00 C ATOM 364 O ILE A 25 -4.232 -10.748 -0.017 1.00 0.00 O ATOM 365 CB ILE A 25 -4.037 -7.559 -0.780 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.873 -6.279 -0.827 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.809 -7.429 -1.669 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.322 -5.163 0.033 1.00 0.00 C ATOM 0 H ILE A 25 -6.180 -8.219 0.346 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.144 -8.665 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.703 -7.715 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.936 -5.934 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.889 -6.507 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.220 -6.569 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.205 -8.332 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.122 -7.292 -2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.966 -4.288 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.285 -5.489 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.317 -4.907 -0.303 1.00 0.00 H new ATOM 380 N ARG A 26 -3.207 -10.340 -1.979 1.00 0.00 N ATOM 381 CA ARG A 26 -2.368 -11.532 -1.915 1.00 0.00 C ATOM 382 C ARG A 26 -0.981 -11.251 -2.485 1.00 0.00 C ATOM 383 O ARG A 26 0.032 -11.595 -1.876 1.00 0.00 O ATOM 384 CB ARG A 26 -3.023 -12.683 -2.682 1.00 0.00 C ATOM 385 CG ARG A 26 -2.326 -14.020 -2.486 1.00 0.00 C ATOM 386 CD ARG A 26 -3.296 -15.181 -2.641 1.00 0.00 C ATOM 387 NE ARG A 26 -2.661 -16.466 -2.362 1.00 0.00 N ATOM 388 CZ ARG A 26 -1.816 -17.071 -3.195 1.00 0.00 C ATOM 389 NH1 ARG A 26 -1.499 -16.510 -4.354 1.00 0.00 N ATOM 390 NH2 ARG A 26 -1.285 -18.241 -2.865 1.00 0.00 N ATOM 0 H ARG A 26 -3.066 -9.769 -2.813 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.261 -11.816 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.062 -12.775 -2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.034 -12.441 -3.745 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.518 -14.120 -3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.872 -14.053 -1.496 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.141 -15.040 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.695 -15.187 -3.655 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.877 -16.927 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.903 -15.610 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.851 -16.979 -4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.524 -18.676 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.638 -18.705 -3.502 1.00 0.00 H new ATOM 404 N ASN A 27 -0.944 -10.625 -3.656 1.00 0.00 N ATOM 405 CA ASN A 27 0.319 -10.297 -4.308 1.00 0.00 C ATOM 406 C ASN A 27 0.888 -8.990 -3.766 1.00 0.00 C ATOM 407 O ASN A 27 0.729 -7.932 -4.375 1.00 0.00 O ATOM 408 CB ASN A 27 0.123 -10.194 -5.822 1.00 0.00 C ATOM 409 CG ASN A 27 1.310 -10.733 -6.597 1.00 0.00 C ATOM 410 OD1 ASN A 27 1.156 -11.560 -7.496 1.00 0.00 O ATOM 411 ND2 ASN A 27 2.504 -10.266 -6.252 1.00 0.00 N ATOM 0 H ASN A 27 -1.774 -10.334 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 27 1.028 -11.096 -4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.774 -10.744 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.042 -9.151 -6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.339 -10.592 -6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.586 -9.581 -5.501 1.00 0.00 H new ATOM 418 N THR A 28 1.552 -9.071 -2.617 1.00 0.00 N ATOM 419 CA THR A 28 2.146 -7.895 -1.992 1.00 0.00 C ATOM 420 C THR A 28 3.370 -7.423 -2.769 1.00 0.00 C ATOM 421 O THR A 28 3.704 -6.237 -2.760 1.00 0.00 O ATOM 422 CB THR A 28 2.536 -8.202 -0.545 1.00 0.00 C ATOM 423 OG1 THR A 28 3.584 -9.154 -0.501 1.00 0.00 O ATOM 424 CG2 THR A 28 1.390 -8.743 0.282 1.00 0.00 C ATOM 0 H THR A 28 1.692 -9.939 -2.100 1.00 0.00 H new ATOM 0 HA THR A 28 1.403 -7.098 -2.001 1.00 0.00 H new ATOM 0 HB THR A 28 2.850 -7.248 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.821 -9.337 0.432 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.735 -8.939 1.297 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.583 -8.011 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.026 -9.669 -0.163 1.00 0.00 H new ATOM 432 N GLN A 29 4.037 -8.356 -3.441 1.00 0.00 N ATOM 433 CA GLN A 29 5.226 -8.035 -4.223 1.00 0.00 C ATOM 434 C GLN A 29 4.924 -6.961 -5.263 1.00 0.00 C ATOM 435 O GLN A 29 5.794 -6.168 -5.622 1.00 0.00 O ATOM 436 CB GLN A 29 5.764 -9.290 -4.913 1.00 0.00 C ATOM 437 CG GLN A 29 7.278 -9.312 -5.042 1.00 0.00 C ATOM 438 CD GLN A 29 7.768 -8.581 -6.276 1.00 0.00 C ATOM 439 OE1 GLN A 29 6.993 -8.283 -7.185 1.00 0.00 O ATOM 440 NE2 GLN A 29 9.064 -8.288 -6.314 1.00 0.00 N ATOM 0 H GLN A 29 3.774 -9.341 -3.460 1.00 0.00 H new ATOM 0 HA GLN A 29 5.983 -7.650 -3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.443 -10.168 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.322 -9.366 -5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.721 -8.858 -4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.621 -10.346 -5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.670 -8.554 -5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.452 -7.797 -7.119 1.00 0.00 H new ATOM 449 N CYS A 30 3.684 -6.941 -5.742 1.00 0.00 N ATOM 450 CA CYS A 30 3.267 -5.964 -6.742 1.00 0.00 C ATOM 451 C CYS A 30 3.158 -4.571 -6.128 1.00 0.00 C ATOM 452 O CYS A 30 3.632 -3.589 -6.702 1.00 0.00 O ATOM 453 CB CYS A 30 1.926 -6.369 -7.355 1.00 0.00 C ATOM 454 SG CYS A 30 2.058 -7.615 -8.659 1.00 0.00 S ATOM 0 H CYS A 30 2.951 -7.589 -5.454 1.00 0.00 H new ATOM 0 HA CYS A 30 4.024 -5.939 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.278 -6.751 -6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.442 -5.482 -7.763 1.00 0.00 H new ATOM 0 HG CYS A 30 0.873 -7.894 -9.114 1.00 0.00 H new ATOM 460 N LEU A 31 2.531 -4.492 -4.959 1.00 0.00 N ATOM 461 CA LEU A 31 2.358 -3.219 -4.268 1.00 0.00 C ATOM 462 C LEU A 31 3.710 -2.595 -3.933 1.00 0.00 C ATOM 463 O LEU A 31 3.911 -1.394 -4.112 1.00 0.00 O ATOM 464 CB LEU A 31 1.544 -3.416 -2.988 1.00 0.00 C ATOM 465 CG LEU A 31 0.159 -4.034 -3.189 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.390 -4.554 -1.870 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.793 -3.019 -3.803 1.00 0.00 C ATOM 0 H LEU A 31 2.134 -5.294 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 31 1.819 -2.543 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.113 -4.050 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.426 -2.449 -2.498 1.00 0.00 H new ATOM 0 HG LEU A 31 0.253 -4.875 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.376 -4.990 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.282 -5.314 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.470 -3.731 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.773 -3.476 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.883 -2.157 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.406 -2.696 -4.769 1.00 0.00 H new ATOM 479 N VAL A 32 4.631 -3.418 -3.444 1.00 0.00 N ATOM 480 CA VAL A 32 5.963 -2.946 -3.082 1.00 0.00 C ATOM 481 C VAL A 32 6.761 -2.546 -4.318 1.00 0.00 C ATOM 482 O VAL A 32 7.564 -1.615 -4.275 1.00 0.00 O ATOM 483 CB VAL A 32 6.747 -4.021 -2.305 1.00 0.00 C ATOM 484 CG1 VAL A 32 8.048 -3.447 -1.767 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.900 -4.590 -1.178 1.00 0.00 C ATOM 0 H VAL A 32 4.480 -4.415 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 32 5.826 -2.073 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 32 6.991 -4.833 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.589 -4.220 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.660 -3.093 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.829 -2.615 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.471 -5.348 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.623 -3.790 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.998 -5.041 -1.592 1.00 0.00 H new ATOM 495 N ASP A 33 6.535 -3.256 -5.419 1.00 0.00 N ATOM 496 CA ASP A 33 7.235 -2.973 -6.666 1.00 0.00 C ATOM 497 C ASP A 33 6.944 -1.554 -7.144 1.00 0.00 C ATOM 498 O ASP A 33 7.861 -0.779 -7.417 1.00 0.00 O ATOM 499 CB ASP A 33 6.831 -3.984 -7.743 1.00 0.00 C ATOM 500 CG ASP A 33 8.027 -4.694 -8.347 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.720 -4.080 -9.186 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.271 -5.863 -7.980 1.00 0.00 O ATOM 0 H ASP A 33 5.873 -4.030 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 33 8.306 -3.060 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.155 -4.721 -7.310 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.280 -3.471 -8.531 1.00 0.00 H new ATOM 507 N ASN A 34 5.662 -1.219 -7.243 1.00 0.00 N ATOM 508 CA ASN A 34 5.250 0.108 -7.688 1.00 0.00 C ATOM 509 C ASN A 34 5.678 1.174 -6.685 1.00 0.00 C ATOM 510 O ASN A 34 6.087 2.270 -7.068 1.00 0.00 O ATOM 511 CB ASN A 34 3.733 0.155 -7.884 1.00 0.00 C ATOM 512 CG ASN A 34 3.257 -0.811 -8.951 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.837 -0.893 -10.034 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.194 -1.548 -8.650 1.00 0.00 N ATOM 0 H ASN A 34 4.890 -1.848 -7.021 1.00 0.00 H new ATOM 0 HA ASN A 34 5.739 0.313 -8.640 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.240 -0.079 -6.940 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.436 1.168 -8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.827 -2.215 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.745 -1.447 -7.740 1.00 0.00 H new ATOM 521 N LEU A 35 5.577 0.846 -5.401 1.00 0.00 N ATOM 522 CA LEU A 35 5.954 1.777 -4.343 1.00 0.00 C ATOM 523 C LEU A 35 7.454 2.051 -4.370 1.00 0.00 C ATOM 524 O LEU A 35 7.895 3.172 -4.114 1.00 0.00 O ATOM 525 CB LEU A 35 5.550 1.218 -2.977 1.00 0.00 C ATOM 526 CG LEU A 35 4.055 1.291 -2.664 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.685 0.280 -1.590 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.670 2.697 -2.231 1.00 0.00 C ATOM 0 H LEU A 35 5.238 -0.056 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 35 5.428 2.716 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.867 0.177 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.094 1.760 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 35 3.501 1.047 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.617 0.346 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.925 -0.725 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.247 0.493 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.603 2.731 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.232 2.969 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.899 3.400 -3.032 1.00 0.00 H new ATOM 540 N LEU A 36 8.234 1.021 -4.680 1.00 0.00 N ATOM 541 CA LEU A 36 9.685 1.151 -4.739 1.00 0.00 C ATOM 542 C LEU A 36 10.105 2.043 -5.902 1.00 0.00 C ATOM 543 O LEU A 36 10.961 2.915 -5.752 1.00 0.00 O ATOM 544 CB LEU A 36 10.337 -0.227 -4.877 1.00 0.00 C ATOM 545 CG LEU A 36 10.409 -1.042 -3.585 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.862 -2.465 -3.877 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.346 -0.377 -2.588 1.00 0.00 C ATOM 0 H LEU A 36 7.885 0.087 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 36 10.021 1.613 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.784 -0.801 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.348 -0.097 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 36 9.412 -1.082 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.908 -3.031 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.154 -2.940 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.849 -2.445 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.385 -0.970 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.345 -0.307 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.980 0.623 -2.356 1.00 0.00 H new ATOM 559 N LYS A 37 9.497 1.819 -7.062 1.00 0.00 N ATOM 560 CA LYS A 37 9.808 2.604 -8.251 1.00 0.00 C ATOM 561 C LYS A 37 9.476 4.077 -8.033 1.00 0.00 C ATOM 562 O LYS A 37 10.134 4.960 -8.583 1.00 0.00 O ATOM 563 CB LYS A 37 9.036 2.068 -9.459 1.00 0.00 C ATOM 564 CG LYS A 37 9.581 2.550 -10.793 1.00 0.00 C ATOM 565 CD LYS A 37 8.874 1.877 -11.959 1.00 0.00 C ATOM 566 CE LYS A 37 9.797 1.723 -13.156 1.00 0.00 C ATOM 567 NZ LYS A 37 9.042 1.419 -14.404 1.00 0.00 N ATOM 0 H LYS A 37 8.787 1.101 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 37 10.877 2.516 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.058 0.978 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.991 2.367 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.460 3.631 -10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.650 2.344 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.512 0.897 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.001 2.464 -12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.370 2.640 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.514 0.925 -12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.707 1.321 -15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.515 0.531 -14.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.376 2.192 -14.604 1.00 0.00 H new ATOM 581 N ASN A 38 8.451 4.334 -7.226 1.00 0.00 N ATOM 582 CA ASN A 38 8.032 5.700 -6.934 1.00 0.00 C ATOM 583 C ASN A 38 8.889 6.324 -5.831 1.00 0.00 C ATOM 584 O ASN A 38 8.680 7.477 -5.453 1.00 0.00 O ATOM 585 CB ASN A 38 6.559 5.725 -6.522 1.00 0.00 C ATOM 586 CG ASN A 38 5.625 5.697 -7.715 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.810 6.600 -7.902 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.740 4.656 -8.532 1.00 0.00 N ATOM 0 H ASN A 38 7.896 3.614 -6.763 1.00 0.00 H new ATOM 0 HA ASN A 38 8.165 6.289 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.350 4.869 -5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.365 6.621 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.139 4.583 -9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.430 3.930 -8.339 1.00 0.00 H new ATOM 595 N ASP A 39 9.852 5.561 -5.318 1.00 0.00 N ATOM 596 CA ASP A 39 10.731 6.051 -4.262 1.00 0.00 C ATOM 597 C ASP A 39 9.938 6.377 -3.001 1.00 0.00 C ATOM 598 O ASP A 39 10.216 7.362 -2.317 1.00 0.00 O ATOM 599 CB ASP A 39 11.491 7.292 -4.736 1.00 0.00 C ATOM 600 CG ASP A 39 12.927 7.312 -4.248 1.00 0.00 C ATOM 601 OD1 ASP A 39 13.146 7.085 -3.040 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.831 7.556 -5.075 1.00 0.00 O ATOM 0 H ASP A 39 10.042 4.604 -5.616 1.00 0.00 H new ATOM 0 HA ASP A 39 11.447 5.264 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.480 7.328 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.978 8.186 -4.383 1.00 0.00 H new ATOM 607 N TYR A 40 8.949 5.542 -2.696 1.00 0.00 N ATOM 608 CA TYR A 40 8.117 5.743 -1.516 1.00 0.00 C ATOM 609 C TYR A 40 8.584 4.860 -0.364 1.00 0.00 C ATOM 610 O TYR A 40 8.778 5.334 0.756 1.00 0.00 O ATOM 611 CB TYR A 40 6.652 5.444 -1.841 1.00 0.00 C ATOM 612 CG TYR A 40 5.914 6.618 -2.447 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.823 7.828 -1.772 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.308 6.514 -3.693 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.149 8.903 -2.321 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.634 7.584 -4.250 1.00 0.00 C ATOM 617 CZ TYR A 40 4.558 8.776 -3.559 1.00 0.00 C ATOM 618 OH TYR A 40 3.886 9.845 -4.110 1.00 0.00 O ATOM 0 H TYR A 40 8.705 4.721 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 40 8.209 6.786 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.606 4.601 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.141 5.137 -0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.286 7.931 -0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.365 5.582 -4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.086 9.837 -1.782 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.170 7.488 -5.220 1.00 0.00 H new ATOM 0 HH TYR A 40 3.529 9.590 -4.986 1.00 0.00 H new ATOM 628 N PHE A 41 8.765 3.573 -0.646 1.00 0.00 N ATOM 629 CA PHE A 41 9.212 2.624 0.367 1.00 0.00 C ATOM 630 C PHE A 41 10.730 2.654 0.510 1.00 0.00 C ATOM 631 O PHE A 41 11.458 2.553 -0.477 1.00 0.00 O ATOM 632 CB PHE A 41 8.747 1.211 0.010 1.00 0.00 C ATOM 633 CG PHE A 41 7.550 0.756 0.796 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.330 1.399 0.658 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.645 -0.314 1.671 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.227 0.983 1.379 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.546 -0.734 2.396 1.00 0.00 C ATOM 638 CZ PHE A 41 5.335 -0.084 2.249 1.00 0.00 C ATOM 0 H PHE A 41 8.609 3.164 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 41 8.772 2.914 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.509 1.173 -1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.568 0.514 0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.240 2.234 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.589 -0.826 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.282 1.492 1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.633 -1.568 3.076 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.474 -0.410 2.814 1.00 0.00 H new ATOM 648 N SER A 42 11.201 2.794 1.745 1.00 0.00 N ATOM 649 CA SER A 42 12.633 2.836 2.017 1.00 0.00 C ATOM 650 C SER A 42 13.265 1.463 1.820 1.00 0.00 C ATOM 651 O SER A 42 12.579 0.441 1.853 1.00 0.00 O ATOM 652 CB SER A 42 12.888 3.328 3.444 1.00 0.00 C ATOM 653 OG SER A 42 11.949 4.321 3.817 1.00 0.00 O ATOM 0 H SER A 42 10.612 2.880 2.573 1.00 0.00 H new ATOM 0 HA SER A 42 13.091 3.531 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.829 2.489 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.898 3.732 3.518 1.00 0.00 H new ATOM 0 HG SER A 42 11.228 3.910 4.338 1.00 0.00 H new ATOM 659 N ALA A 43 14.579 1.445 1.617 1.00 0.00 N ATOM 660 CA ALA A 43 15.304 0.196 1.415 1.00 0.00 C ATOM 661 C ALA A 43 15.201 -0.702 2.643 1.00 0.00 C ATOM 662 O ALA A 43 15.145 -1.926 2.526 1.00 0.00 O ATOM 663 CB ALA A 43 16.763 0.481 1.090 1.00 0.00 C ATOM 0 H ALA A 43 15.163 2.281 1.588 1.00 0.00 H new ATOM 0 HA ALA A 43 14.850 -0.328 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.293 -0.460 0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.823 1.079 0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.219 1.028 1.915 1.00 0.00 H new ATOM 669 N GLU A 44 15.175 -0.086 3.820 1.00 0.00 N ATOM 670 CA GLU A 44 15.078 -0.830 5.070 1.00 0.00 C ATOM 671 C GLU A 44 13.661 -1.351 5.284 1.00 0.00 C ATOM 672 O GLU A 44 13.462 -2.410 5.881 1.00 0.00 O ATOM 673 CB GLU A 44 15.491 0.056 6.247 1.00 0.00 C ATOM 674 CG GLU A 44 14.594 1.268 6.439 1.00 0.00 C ATOM 675 CD GLU A 44 15.176 2.276 7.411 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.019 1.880 8.243 1.00 0.00 O ATOM 677 OE2 GLU A 44 14.790 3.462 7.340 1.00 0.00 O ATOM 0 H GLU A 44 15.220 0.927 3.934 1.00 0.00 H new ATOM 0 HA GLU A 44 15.754 -1.683 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.483 -0.540 7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 44 16.516 0.393 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.430 1.751 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.619 0.940 6.801 1.00 0.00 H new ATOM 684 N ASP A 45 12.678 -0.601 4.794 1.00 0.00 N ATOM 685 CA ASP A 45 11.279 -0.988 4.933 1.00 0.00 C ATOM 686 C ASP A 45 10.980 -2.250 4.130 1.00 0.00 C ATOM 687 O ASP A 45 10.315 -3.165 4.617 1.00 0.00 O ATOM 688 CB ASP A 45 10.366 0.150 4.475 1.00 0.00 C ATOM 689 CG ASP A 45 10.250 1.251 5.511 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.078 0.927 6.705 1.00 0.00 O ATOM 691 OD2 ASP A 45 10.331 2.438 5.128 1.00 0.00 O ATOM 0 H ASP A 45 12.825 0.278 4.297 1.00 0.00 H new ATOM 0 HA ASP A 45 11.089 -1.196 5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.751 0.569 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.374 -0.248 4.259 1.00 0.00 H new ATOM 696 N ALA A 46 11.474 -2.291 2.897 1.00 0.00 N ATOM 697 CA ALA A 46 11.259 -3.440 2.026 1.00 0.00 C ATOM 698 C ALA A 46 11.817 -4.715 2.649 1.00 0.00 C ATOM 699 O ALA A 46 11.299 -5.807 2.421 1.00 0.00 O ATOM 700 CB ALA A 46 11.894 -3.194 0.665 1.00 0.00 C ATOM 0 H ALA A 46 12.026 -1.542 2.479 1.00 0.00 H new ATOM 0 HA ALA A 46 10.185 -3.571 1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.727 -4.059 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.446 -2.312 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.965 -3.035 0.787 1.00 0.00 H new ATOM 706 N GLU A 47 12.878 -4.567 3.437 1.00 0.00 N ATOM 707 CA GLU A 47 13.507 -5.707 4.094 1.00 0.00 C ATOM 708 C GLU A 47 12.600 -6.280 5.179 1.00 0.00 C ATOM 709 O GLU A 47 12.631 -7.478 5.459 1.00 0.00 O ATOM 710 CB GLU A 47 14.851 -5.296 4.699 1.00 0.00 C ATOM 711 CG GLU A 47 15.944 -6.336 4.514 1.00 0.00 C ATOM 712 CD GLU A 47 16.792 -6.517 5.759 1.00 0.00 C ATOM 713 OE1 GLU A 47 16.857 -5.575 6.576 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.390 -7.602 5.916 1.00 0.00 O ATOM 0 H GLU A 47 13.320 -3.669 3.636 1.00 0.00 H new ATOM 0 HA GLU A 47 13.676 -6.479 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.173 -4.358 4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.718 -5.106 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.491 -7.290 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.584 -6.041 3.682 1.00 0.00 H new ATOM 721 N ILE A 48 11.795 -5.415 5.789 1.00 0.00 N ATOM 722 CA ILE A 48 10.881 -5.837 6.843 1.00 0.00 C ATOM 723 C ILE A 48 9.693 -6.602 6.270 1.00 0.00 C ATOM 724 O ILE A 48 9.255 -7.604 6.836 1.00 0.00 O ATOM 725 CB ILE A 48 10.359 -4.631 7.651 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.522 -3.743 8.095 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.558 -5.106 8.854 1.00 0.00 C ATOM 728 CD1 ILE A 48 11.097 -2.346 8.494 1.00 0.00 C ATOM 0 H ILE A 48 11.758 -4.419 5.571 1.00 0.00 H new ATOM 0 HA ILE A 48 11.446 -6.493 7.505 1.00 0.00 H new ATOM 0 HB ILE A 48 9.702 -4.042 7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.028 -4.215 8.937 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.248 -3.676 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.197 -4.244 9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.709 -5.700 8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.193 -5.715 9.497 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.973 -1.772 8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.617 -1.856 7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.395 -2.403 9.325 1.00 0.00 H new ATOM 740 N VAL A 49 9.174 -6.123 5.143 1.00 0.00 N ATOM 741 CA VAL A 49 8.037 -6.763 4.494 1.00 0.00 C ATOM 742 C VAL A 49 8.361 -8.203 4.113 1.00 0.00 C ATOM 743 O VAL A 49 7.746 -9.142 4.617 1.00 0.00 O ATOM 744 CB VAL A 49 7.603 -5.994 3.231 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.323 -6.585 2.657 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.424 -4.514 3.539 1.00 0.00 C ATOM 0 H VAL A 49 9.523 -5.294 4.662 1.00 0.00 H new ATOM 0 HA VAL A 49 7.218 -6.756 5.213 1.00 0.00 H new ATOM 0 HB VAL A 49 8.389 -6.093 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.033 -6.028 1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.491 -7.629 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.528 -6.521 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.118 -3.989 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.659 -4.392 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.367 -4.100 3.897 1.00 0.00 H new ATOM 756 N CYS A 50 9.331 -8.370 3.219 1.00 0.00 N ATOM 757 CA CYS A 50 9.738 -9.697 2.771 1.00 0.00 C ATOM 758 C CYS A 50 10.225 -10.542 3.945 1.00 0.00 C ATOM 759 O CYS A 50 10.105 -11.767 3.933 1.00 0.00 O ATOM 760 CB CYS A 50 10.839 -9.587 1.715 1.00 0.00 C ATOM 761 SG CYS A 50 10.719 -10.816 0.394 1.00 0.00 S ATOM 0 H CYS A 50 9.849 -7.603 2.791 1.00 0.00 H new ATOM 0 HA CYS A 50 8.870 -10.186 2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.807 -8.591 1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.808 -9.688 2.204 1.00 0.00 H new ATOM 0 HG CYS A 50 11.691 -10.641 -0.451 1.00 0.00 H new ATOM 767 N ALA A 51 10.776 -9.877 4.956 1.00 0.00 N ATOM 768 CA ALA A 51 11.281 -10.566 6.138 1.00 0.00 C ATOM 769 C ALA A 51 10.189 -11.394 6.807 1.00 0.00 C ATOM 770 O ALA A 51 10.478 -12.340 7.542 1.00 0.00 O ATOM 771 CB ALA A 51 11.860 -9.561 7.122 1.00 0.00 C ATOM 0 H ALA A 51 10.884 -8.863 4.980 1.00 0.00 H new ATOM 0 HA ALA A 51 12.069 -11.248 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.234 -10.086 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.678 -9.018 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.084 -8.858 7.423 1.00 0.00 H new ATOM 777 N CYS A 52 8.933 -11.036 6.553 1.00 0.00 N ATOM 778 CA CYS A 52 7.800 -11.749 7.134 1.00 0.00 C ATOM 779 C CYS A 52 7.878 -13.243 6.827 1.00 0.00 C ATOM 780 O CYS A 52 8.356 -13.642 5.765 1.00 0.00 O ATOM 781 CB CYS A 52 6.484 -11.177 6.605 1.00 0.00 C ATOM 782 SG CYS A 52 6.055 -9.559 7.287 1.00 0.00 S ATOM 0 H CYS A 52 8.675 -10.256 5.948 1.00 0.00 H new ATOM 0 HA CYS A 52 7.838 -11.617 8.215 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.545 -11.097 5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.680 -11.878 6.828 1.00 0.00 H new ATOM 0 HG CYS A 52 6.523 -8.624 6.514 1.00 0.00 H new ATOM 788 N PRO A 53 7.408 -14.093 7.757 1.00 0.00 N ATOM 789 CA PRO A 53 7.429 -15.547 7.580 1.00 0.00 C ATOM 790 C PRO A 53 6.336 -16.033 6.634 1.00 0.00 C ATOM 791 O PRO A 53 6.532 -16.987 5.882 1.00 0.00 O ATOM 792 CB PRO A 53 7.183 -16.070 8.994 1.00 0.00 C ATOM 793 CG PRO A 53 6.365 -15.010 9.647 1.00 0.00 C ATOM 794 CD PRO A 53 6.822 -13.703 9.055 1.00 0.00 C ATOM 0 HA PRO A 53 8.361 -15.894 7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.656 -17.024 8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.120 -16.232 9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.302 -15.170 9.464 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.507 -15.019 10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.991 -13.009 8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.555 -13.209 9.693 1.00 0.00 H new ATOM 802 N THR A 54 5.184 -15.369 6.677 1.00 0.00 N ATOM 803 CA THR A 54 4.060 -15.736 5.823 1.00 0.00 C ATOM 804 C THR A 54 3.587 -14.541 5.001 1.00 0.00 C ATOM 805 O THR A 54 4.059 -13.419 5.190 1.00 0.00 O ATOM 806 CB THR A 54 2.906 -16.276 6.669 1.00 0.00 C ATOM 807 OG1 THR A 54 2.401 -15.271 7.530 1.00 0.00 O ATOM 808 CG2 THR A 54 3.295 -17.462 7.525 1.00 0.00 C ATOM 0 H THR A 54 5.005 -14.576 7.293 1.00 0.00 H new ATOM 0 HA THR A 54 4.396 -16.515 5.138 1.00 0.00 H new ATOM 0 HB THR A 54 2.150 -16.598 5.953 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.663 -15.636 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.431 -17.795 8.099 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.641 -18.274 6.886 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.094 -17.172 8.207 1.00 0.00 H new ATOM 816 N GLN A 55 2.652 -14.790 4.090 1.00 0.00 N ATOM 817 CA GLN A 55 2.113 -13.735 3.239 1.00 0.00 C ATOM 818 C GLN A 55 1.209 -12.796 4.036 1.00 0.00 C ATOM 819 O GLN A 55 1.388 -11.579 4.008 1.00 0.00 O ATOM 820 CB GLN A 55 1.337 -14.342 2.068 1.00 0.00 C ATOM 821 CG GLN A 55 1.697 -13.737 0.721 1.00 0.00 C ATOM 822 CD GLN A 55 2.806 -14.496 0.019 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.554 -15.290 -0.888 1.00 0.00 O ATOM 824 NE2 GLN A 55 4.044 -14.255 0.436 1.00 0.00 N ATOM 0 H GLN A 55 2.252 -15.713 3.922 1.00 0.00 H new ATOM 0 HA GLN A 55 2.950 -13.155 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.524 -15.415 2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.269 -14.209 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.812 -13.723 0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.004 -12.701 0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.207 -13.589 1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.831 -14.736 0.001 1.00 0.00 H new ATOM 833 N PRO A 56 0.221 -13.351 4.761 1.00 0.00 N ATOM 834 CA PRO A 56 -0.710 -12.555 5.567 1.00 0.00 C ATOM 835 C PRO A 56 0.010 -11.562 6.473 1.00 0.00 C ATOM 836 O PRO A 56 -0.537 -10.517 6.824 1.00 0.00 O ATOM 837 CB PRO A 56 -1.445 -13.606 6.401 1.00 0.00 C ATOM 838 CG PRO A 56 -1.378 -14.850 5.586 1.00 0.00 C ATOM 839 CD PRO A 56 -0.065 -14.797 4.853 1.00 0.00 C ATOM 0 HA PRO A 56 -1.369 -11.947 4.947 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.970 -13.743 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.477 -13.311 6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.435 -15.735 6.220 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.213 -14.904 4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.718 -15.327 5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.137 -15.255 3.867 1.00 0.00 H new ATOM 847 N ASP A 57 1.240 -11.896 6.848 1.00 0.00 N ATOM 848 CA ASP A 57 2.036 -11.033 7.714 1.00 0.00 C ATOM 849 C ASP A 57 2.580 -9.838 6.938 1.00 0.00 C ATOM 850 O ASP A 57 2.673 -8.731 7.468 1.00 0.00 O ATOM 851 CB ASP A 57 3.190 -11.825 8.334 1.00 0.00 C ATOM 852 CG ASP A 57 2.892 -12.264 9.754 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.976 -11.416 10.668 1.00 0.00 O ATOM 854 OD2 ASP A 57 2.577 -13.456 9.953 1.00 0.00 O ATOM 0 H ASP A 57 1.708 -12.758 6.566 1.00 0.00 H new ATOM 0 HA ASP A 57 1.391 -10.661 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.396 -12.702 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.092 -11.213 8.327 1.00 0.00 H new ATOM 859 N LYS A 58 2.937 -10.071 5.679 1.00 0.00 N ATOM 860 CA LYS A 58 3.473 -9.014 4.829 1.00 0.00 C ATOM 861 C LYS A 58 2.433 -7.923 4.596 1.00 0.00 C ATOM 862 O LYS A 58 2.747 -6.733 4.637 1.00 0.00 O ATOM 863 CB LYS A 58 3.929 -9.593 3.488 1.00 0.00 C ATOM 864 CG LYS A 58 4.984 -10.678 3.624 1.00 0.00 C ATOM 865 CD LYS A 58 5.112 -11.494 2.348 1.00 0.00 C ATOM 866 CE LYS A 58 5.998 -10.798 1.329 1.00 0.00 C ATOM 867 NZ LYS A 58 5.829 -11.368 -0.036 1.00 0.00 N ATOM 0 H LYS A 58 2.865 -10.982 5.225 1.00 0.00 H new ATOM 0 HA LYS A 58 4.330 -8.572 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.064 -10.001 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.325 -8.788 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.945 -10.224 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.726 -11.336 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.526 -12.475 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.123 -11.659 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.762 -9.734 1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.041 -10.888 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.671 -11.154 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.709 -12.399 0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.989 -10.950 -0.485 1.00 0.00 H new ATOM 881 N VAL A 59 1.194 -8.335 4.352 1.00 0.00 N ATOM 882 CA VAL A 59 0.107 -7.393 4.113 1.00 0.00 C ATOM 883 C VAL A 59 -0.081 -6.457 5.302 1.00 0.00 C ATOM 884 O VAL A 59 -0.371 -5.272 5.132 1.00 0.00 O ATOM 885 CB VAL A 59 -1.220 -8.124 3.835 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.291 -7.139 3.394 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.023 -9.212 2.793 1.00 0.00 C ATOM 0 H VAL A 59 0.917 -9.316 4.314 1.00 0.00 H new ATOM 0 HA VAL A 59 0.382 -6.810 3.234 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.553 -8.596 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.221 -7.674 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.452 -6.401 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.968 -6.634 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.972 -9.717 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.664 -8.766 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.291 -9.934 3.155 1.00 0.00 H new ATOM 897 N ARG A 60 0.086 -6.995 6.504 1.00 0.00 N ATOM 898 CA ARG A 60 -0.064 -6.209 7.723 1.00 0.00 C ATOM 899 C ARG A 60 1.127 -5.278 7.922 1.00 0.00 C ATOM 900 O ARG A 60 0.994 -4.198 8.499 1.00 0.00 O ATOM 901 CB ARG A 60 -0.212 -7.132 8.935 1.00 0.00 C ATOM 902 CG ARG A 60 -0.693 -6.418 10.188 1.00 0.00 C ATOM 903 CD ARG A 60 -0.310 -7.180 11.447 1.00 0.00 C ATOM 904 NE ARG A 60 -1.469 -7.798 12.087 1.00 0.00 N ATOM 905 CZ ARG A 60 -1.385 -8.783 12.980 1.00 0.00 C ATOM 906 NH1 ARG A 60 -0.201 -9.261 13.341 1.00 0.00 N ATOM 907 NH2 ARG A 60 -2.488 -9.289 13.514 1.00 0.00 N ATOM 0 H ARG A 60 0.326 -7.974 6.661 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.964 -5.602 7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.913 -7.930 8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.749 -7.604 9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.265 -5.416 10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.776 -6.301 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.419 -7.950 11.197 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.172 -6.500 12.149 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.396 -7.455 11.835 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.651 -8.874 12.934 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.143 -10.015 14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.401 -8.924 13.241 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.424 -10.043 14.198 1.00 0.00 H new ATOM 921 N LYS A 61 2.293 -5.703 7.444 1.00 0.00 N ATOM 922 CA LYS A 61 3.508 -4.906 7.571 1.00 0.00 C ATOM 923 C LYS A 61 3.469 -3.699 6.639 1.00 0.00 C ATOM 924 O LYS A 61 3.878 -2.600 7.013 1.00 0.00 O ATOM 925 CB LYS A 61 4.738 -5.762 7.265 1.00 0.00 C ATOM 926 CG LYS A 61 6.055 -5.032 7.471 1.00 0.00 C ATOM 927 CD LYS A 61 6.205 -4.546 8.903 1.00 0.00 C ATOM 928 CE LYS A 61 6.230 -5.704 9.890 1.00 0.00 C ATOM 929 NZ LYS A 61 5.062 -5.673 10.813 1.00 0.00 N ATOM 0 H LYS A 61 2.422 -6.595 6.965 1.00 0.00 H new ATOM 0 HA LYS A 61 3.570 -4.546 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.720 -6.648 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.682 -6.108 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.883 -5.696 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.112 -4.183 6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.124 -3.968 8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.381 -3.876 9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.235 -6.647 9.343 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.152 -5.667 10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.134 -6.458 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.051 -4.770 11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.184 -5.769 10.265 1.00 0.00 H new ATOM 943 N ILE A 62 2.976 -3.912 5.423 1.00 0.00 N ATOM 944 CA ILE A 62 2.886 -2.841 4.438 1.00 0.00 C ATOM 945 C ILE A 62 1.828 -1.817 4.836 1.00 0.00 C ATOM 946 O ILE A 62 2.022 -0.613 4.673 1.00 0.00 O ATOM 947 CB ILE A 62 2.554 -3.393 3.037 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.519 -4.520 2.666 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.607 -2.280 2.000 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.942 -5.510 1.677 1.00 0.00 C ATOM 0 H ILE A 62 2.633 -4.816 5.097 1.00 0.00 H new ATOM 0 HA ILE A 62 3.862 -2.356 4.406 1.00 0.00 H new ATOM 0 HB ILE A 62 1.542 -3.798 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.427 -4.086 2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.809 -5.052 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.370 -2.687 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.882 -1.508 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.607 -1.847 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.682 -6.281 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.051 -5.972 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.678 -4.992 0.755 1.00 0.00 H new ATOM 962 N LEU A 63 0.707 -2.304 5.361 1.00 0.00 N ATOM 963 CA LEU A 63 -0.381 -1.430 5.783 1.00 0.00 C ATOM 964 C LEU A 63 0.029 -0.602 6.997 1.00 0.00 C ATOM 965 O LEU A 63 -0.282 0.587 7.083 1.00 0.00 O ATOM 966 CB LEU A 63 -1.627 -2.255 6.113 1.00 0.00 C ATOM 967 CG LEU A 63 -2.241 -3.003 4.927 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.169 -4.105 5.414 1.00 0.00 C ATOM 969 CD2 LEU A 63 -2.987 -2.037 4.019 1.00 0.00 C ATOM 0 H LEU A 63 0.529 -3.298 5.504 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.610 -0.752 4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.370 -2.979 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.382 -1.592 6.535 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.436 -3.462 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.596 -4.626 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.606 -4.811 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.971 -3.669 6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.418 -2.585 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.783 -1.550 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.295 -1.283 3.643 1.00 0.00 H new ATOM 981 N ASP A 64 0.728 -1.236 7.931 1.00 0.00 N ATOM 982 CA ASP A 64 1.181 -0.559 9.141 1.00 0.00 C ATOM 983 C ASP A 64 2.236 0.492 8.812 1.00 0.00 C ATOM 984 O ASP A 64 2.307 1.538 9.458 1.00 0.00 O ATOM 985 CB ASP A 64 1.747 -1.573 10.136 1.00 0.00 C ATOM 986 CG ASP A 64 1.500 -1.169 11.577 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.134 -0.196 12.038 1.00 0.00 O ATOM 988 OD2 ASP A 64 0.672 -1.825 12.244 1.00 0.00 O ATOM 0 H ASP A 64 0.994 -2.219 7.874 1.00 0.00 H new ATOM 0 HA ASP A 64 0.324 -0.059 9.591 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.296 -2.548 9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.819 -1.681 9.970 1.00 0.00 H new ATOM 993 N LEU A 65 3.056 0.207 7.805 1.00 0.00 N ATOM 994 CA LEU A 65 4.108 1.128 7.392 1.00 0.00 C ATOM 995 C LEU A 65 3.518 2.362 6.715 1.00 0.00 C ATOM 996 O LEU A 65 3.897 3.492 7.022 1.00 0.00 O ATOM 997 CB LEU A 65 5.082 0.429 6.443 1.00 0.00 C ATOM 998 CG LEU A 65 6.021 -0.578 7.107 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.656 -1.485 6.063 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.092 0.142 7.912 1.00 0.00 C ATOM 0 H LEU A 65 3.012 -0.654 7.260 1.00 0.00 H new ATOM 0 HA LEU A 65 4.646 1.448 8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.508 -0.086 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.683 1.187 5.941 1.00 0.00 H new ATOM 0 HG LEU A 65 5.436 -1.196 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.321 -2.195 6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.876 -2.028 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.227 -0.882 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.751 -0.591 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.673 0.785 7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.620 0.748 8.685 1.00 0.00 H new ATOM 1012 N VAL A 66 2.587 2.136 5.794 1.00 0.00 N ATOM 1013 CA VAL A 66 1.943 3.228 5.074 1.00 0.00 C ATOM 1014 C VAL A 66 1.216 4.163 6.034 1.00 0.00 C ATOM 1015 O VAL A 66 1.118 5.366 5.789 1.00 0.00 O ATOM 1016 CB VAL A 66 0.941 2.700 4.029 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.387 3.841 3.192 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.595 1.648 3.145 1.00 0.00 C ATOM 0 H VAL A 66 2.262 1.206 5.529 1.00 0.00 H new ATOM 0 HA VAL A 66 2.732 3.779 4.561 1.00 0.00 H new ATOM 0 HB VAL A 66 0.109 2.233 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.318 3.447 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.123 4.554 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.204 4.342 2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.872 1.287 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.447 2.087 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.935 0.815 3.761 1.00 0.00 H new ATOM 1028 N GLN A 67 0.706 3.603 7.126 1.00 0.00 N ATOM 1029 CA GLN A 67 -0.013 4.388 8.123 1.00 0.00 C ATOM 1030 C GLN A 67 0.940 5.303 8.885 1.00 0.00 C ATOM 1031 O GLN A 67 0.558 6.393 9.315 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.742 3.464 9.100 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.890 2.693 8.469 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.293 1.478 9.279 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.620 1.109 10.242 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.397 0.849 8.894 1.00 0.00 N ATOM 0 H GLN A 67 0.777 2.609 7.343 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.745 5.007 7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.027 2.756 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.127 4.057 9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.750 3.354 8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.602 2.377 7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.924 1.190 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.718 0.025 9.402 1.00 0.00 H new ATOM 1045 N SER A 68 2.179 4.855 9.048 1.00 0.00 N ATOM 1046 CA SER A 68 3.188 5.634 9.758 1.00 0.00 C ATOM 1047 C SER A 68 3.721 6.762 8.880 1.00 0.00 C ATOM 1048 O SER A 68 4.069 7.835 9.374 1.00 0.00 O ATOM 1049 CB SER A 68 4.339 4.732 10.204 1.00 0.00 C ATOM 1050 OG SER A 68 5.269 5.446 11.000 1.00 0.00 O ATOM 0 H SER A 68 2.510 3.956 8.698 1.00 0.00 H new ATOM 0 HA SER A 68 2.719 6.073 10.638 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.945 3.887 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.844 4.322 9.329 1.00 0.00 H new ATOM 0 HG SER A 68 5.994 4.846 11.273 1.00 0.00 H new ATOM 1056 N LYS A 69 3.781 6.513 7.577 1.00 0.00 N ATOM 1057 CA LYS A 69 4.271 7.508 6.630 1.00 0.00 C ATOM 1058 C LYS A 69 3.390 8.753 6.644 1.00 0.00 C ATOM 1059 O LYS A 69 3.835 9.837 7.020 1.00 0.00 O ATOM 1060 CB LYS A 69 4.320 6.920 5.218 1.00 0.00 C ATOM 1061 CG LYS A 69 5.281 5.750 5.079 1.00 0.00 C ATOM 1062 CD LYS A 69 5.169 5.097 3.712 1.00 0.00 C ATOM 1063 CE LYS A 69 5.780 3.706 3.707 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.204 3.723 4.145 1.00 0.00 N ATOM 0 H LYS A 69 3.496 5.631 7.152 1.00 0.00 H new ATOM 0 HA LYS A 69 5.279 7.794 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.319 6.593 4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.610 7.703 4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.303 6.096 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.072 5.012 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.120 5.036 3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.669 5.718 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.205 3.055 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.714 3.284 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.637 2.797 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.719 4.461 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.251 3.922 5.165 1.00 0.00 H new ATOM 1078 N GLY A 70 2.137 8.590 6.232 1.00 0.00 N ATOM 1079 CA GLY A 70 1.213 9.708 6.205 1.00 0.00 C ATOM 1080 C GLY A 70 0.140 9.552 5.146 1.00 0.00 C ATOM 1081 O GLY A 70 -0.146 8.439 4.703 1.00 0.00 O ATOM 0 H GLY A 70 1.745 7.703 5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.742 9.809 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.767 10.628 6.022 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.455 10.668 4.740 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.503 10.651 3.726 1.00 0.00 C ATOM 1087 C GLU A 71 -0.905 10.598 2.322 1.00 0.00 C ATOM 1088 O GLU A 71 -1.525 10.081 1.392 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.397 11.885 3.868 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.693 11.614 4.616 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.845 12.461 4.111 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -5.210 12.321 2.925 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.383 13.263 4.903 1.00 0.00 O ATOM 0 H GLU A 71 -0.229 11.596 5.098 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.105 9.755 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.843 12.667 4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.633 12.269 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.951 10.560 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.543 11.808 5.678 1.00 0.00 H new ATOM 1100 N GLU A 72 0.302 11.135 2.176 1.00 0.00 N ATOM 1101 CA GLU A 72 0.983 11.150 0.885 1.00 0.00 C ATOM 1102 C GLU A 72 1.135 9.737 0.331 1.00 0.00 C ATOM 1103 O GLU A 72 0.986 9.512 -0.870 1.00 0.00 O ATOM 1104 CB GLU A 72 2.358 11.807 1.019 1.00 0.00 C ATOM 1105 CG GLU A 72 2.757 12.636 -0.190 1.00 0.00 C ATOM 1106 CD GLU A 72 3.689 13.778 0.167 1.00 0.00 C ATOM 1107 OE1 GLU A 72 3.423 14.466 1.174 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.683 13.983 -0.561 1.00 0.00 O ATOM 0 H GLU A 72 0.829 11.566 2.936 1.00 0.00 H new ATOM 0 HA GLU A 72 0.375 11.729 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.362 12.444 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.107 11.032 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.242 11.992 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.860 13.038 -0.662 1.00 0.00 H new ATOM 1115 N VAL A 73 1.431 8.788 1.212 1.00 0.00 N ATOM 1116 CA VAL A 73 1.602 7.397 0.809 1.00 0.00 C ATOM 1117 C VAL A 73 0.306 6.613 0.975 1.00 0.00 C ATOM 1118 O VAL A 73 0.036 5.673 0.226 1.00 0.00 O ATOM 1119 CB VAL A 73 2.713 6.708 1.624 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.024 5.335 1.049 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.964 7.574 1.662 1.00 0.00 C ATOM 0 H VAL A 73 1.558 8.956 2.210 1.00 0.00 H new ATOM 0 HA VAL A 73 1.886 7.406 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 73 2.359 6.577 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.811 4.864 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.127 4.716 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.357 5.440 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.737 7.071 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.323 7.740 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.729 8.532 2.125 1.00 0.00 H new ATOM 1131 N SER A 74 -0.496 7.006 1.959 1.00 0.00 N ATOM 1132 CA SER A 74 -1.767 6.340 2.222 1.00 0.00 C ATOM 1133 C SER A 74 -2.694 6.442 1.016 1.00 0.00 C ATOM 1134 O SER A 74 -3.412 5.496 0.690 1.00 0.00 O ATOM 1135 CB SER A 74 -2.441 6.950 3.453 1.00 0.00 C ATOM 1136 OG SER A 74 -3.608 6.228 3.806 1.00 0.00 O ATOM 0 H SER A 74 -0.289 7.782 2.588 1.00 0.00 H new ATOM 0 HA SER A 74 -1.564 5.286 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.743 6.951 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.700 7.990 3.252 1.00 0.00 H new ATOM 0 HG SER A 74 -4.355 6.851 3.925 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.675 7.596 0.357 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.514 7.822 -0.813 1.00 0.00 C ATOM 1144 C GLU A 75 -3.011 7.019 -2.008 1.00 0.00 C ATOM 1145 O GLU A 75 -3.784 6.342 -2.685 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.548 9.311 -1.163 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.852 9.756 -1.805 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.374 11.056 -1.224 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -5.714 11.075 -0.023 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.441 12.055 -1.972 1.00 0.00 O ATOM 0 H GLU A 75 -2.087 8.389 0.614 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.524 7.489 -0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.382 9.893 -0.256 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.724 9.535 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.702 9.876 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.602 8.976 -1.673 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.708 7.099 -2.260 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.098 6.381 -3.373 1.00 0.00 C ATOM 1159 C PHE A 76 -1.313 4.877 -3.233 1.00 0.00 C ATOM 1160 O PHE A 76 -1.635 4.193 -4.204 1.00 0.00 O ATOM 1161 CB PHE A 76 0.398 6.689 -3.446 1.00 0.00 C ATOM 1162 CG PHE A 76 1.080 6.081 -4.639 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.716 6.447 -5.924 1.00 0.00 C ATOM 1164 CD2 PHE A 76 2.087 5.143 -4.472 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.342 5.890 -7.022 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.717 4.581 -5.567 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.344 4.955 -6.844 1.00 0.00 C ATOM 0 H PHE A 76 -1.054 7.654 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.576 6.714 -4.294 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.537 7.770 -3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.880 6.326 -2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.067 7.177 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.383 4.848 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.049 6.185 -8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.500 3.851 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.834 4.518 -7.701 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.130 4.369 -2.019 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.302 2.946 -1.752 1.00 0.00 C ATOM 1179 C PHE A 77 -2.746 2.517 -1.995 1.00 0.00 C ATOM 1180 O PHE A 77 -3.002 1.454 -2.559 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.898 2.624 -0.312 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.950 1.158 0.012 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.063 0.307 -0.398 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -2.014 0.631 0.728 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.018 -1.042 -0.100 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -2.065 -0.716 1.028 1.00 0.00 C ATOM 1187 CZ PHE A 77 -1.047 -1.554 0.614 1.00 0.00 C ATOM 0 H PHE A 77 -0.863 4.922 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.658 2.393 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.113 2.991 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.556 3.162 0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.898 0.702 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.812 1.281 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.815 -1.695 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.900 -1.114 1.586 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.084 -2.608 0.849 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.687 3.352 -1.564 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.105 3.060 -1.734 1.00 0.00 C ATOM 1199 C LEU A 78 -5.528 3.249 -3.188 1.00 0.00 C ATOM 1200 O LEU A 78 -6.373 2.515 -3.700 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.946 3.957 -0.825 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.036 3.500 0.632 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.417 4.664 1.534 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.038 2.364 0.772 1.00 0.00 C ATOM 0 H LEU A 78 -3.492 4.236 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.271 2.019 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.530 4.964 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.955 4.019 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.056 3.135 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.476 4.320 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.663 5.447 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.385 5.060 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.090 2.051 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.021 2.704 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.722 1.522 0.156 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.935 4.239 -3.848 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.251 4.524 -5.243 1.00 0.00 C ATOM 1218 C TYR A 79 -4.895 3.339 -6.134 1.00 0.00 C ATOM 1219 O TYR A 79 -5.645 2.987 -7.044 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.501 5.773 -5.711 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.235 6.556 -6.777 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.518 5.986 -8.012 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.642 7.864 -6.549 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.186 6.698 -8.990 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.312 8.582 -7.522 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.581 7.995 -8.739 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.248 8.707 -9.710 1.00 0.00 O ATOM 0 H TYR A 79 -4.234 4.857 -3.439 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.324 4.702 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.322 6.422 -4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.525 5.478 -6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.211 4.970 -8.211 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.432 8.328 -5.597 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.397 6.241 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.623 9.598 -7.329 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.456 9.604 -9.373 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.745 2.728 -5.866 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.288 1.581 -6.644 1.00 0.00 C ATOM 1239 C LEU A 80 -4.269 0.418 -6.525 1.00 0.00 C ATOM 1240 O LEU A 80 -4.640 -0.197 -7.524 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.900 1.142 -6.177 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.766 2.113 -6.512 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.323 2.045 -5.453 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.194 1.809 -7.887 1.00 0.00 C ATOM 0 H LEU A 80 -3.113 3.008 -5.116 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.233 1.882 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.926 0.997 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.673 0.174 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.170 3.125 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.122 2.742 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.096 2.311 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.725 1.033 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.611 2.509 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.196 0.791 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.978 1.908 -8.637 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.683 0.123 -5.297 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.619 -0.967 -5.047 1.00 0.00 C ATOM 1258 C LEU A 81 -6.928 -0.748 -5.800 1.00 0.00 C ATOM 1259 O LEU A 81 -7.607 -1.704 -6.175 1.00 0.00 O ATOM 1260 CB LEU A 81 -5.896 -1.095 -3.547 1.00 0.00 C ATOM 1261 CG LEU A 81 -4.659 -1.311 -2.676 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -4.916 -0.833 -1.255 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -4.252 -2.777 -2.683 1.00 0.00 C ATOM 0 H LEU A 81 -4.385 0.623 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.165 -1.890 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.406 -0.193 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.582 -1.927 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.839 -0.725 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.024 -0.995 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.159 0.230 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.750 -1.391 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.370 -2.913 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.070 -3.383 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.025 -3.087 -3.703 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.277 0.516 -6.016 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.506 0.858 -6.723 1.00 0.00 C ATOM 1277 C GLN A 82 -8.372 0.582 -8.218 1.00 0.00 C ATOM 1278 O GLN A 82 -9.198 -0.115 -8.806 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.856 2.330 -6.495 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.348 2.584 -6.341 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.919 3.409 -7.479 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.560 3.220 -8.640 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -11.816 4.331 -7.147 1.00 0.00 N ATOM 0 H GLN A 82 -6.727 1.319 -5.712 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.307 0.234 -6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.342 2.683 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.480 2.918 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.872 1.630 -6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.530 3.098 -5.397 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.084 4.453 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.236 4.917 -7.869 1.00 0.00 H new ATOM 1292 N GLN A 83 -7.327 1.135 -8.825 1.00 0.00 N ATOM 1293 CA GLN A 83 -7.086 0.949 -10.252 1.00 0.00 C ATOM 1294 C GLN A 83 -6.681 -0.491 -10.556 1.00 0.00 C ATOM 1295 O GLN A 83 -6.953 -1.005 -11.641 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.997 1.910 -10.735 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.665 1.726 -10.028 1.00 0.00 C ATOM 1298 CD GLN A 83 -3.486 1.797 -10.978 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -2.537 1.020 -10.868 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.539 2.733 -11.919 1.00 0.00 N ATOM 0 H GLN A 83 -6.634 1.715 -8.352 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.014 1.164 -10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.852 1.772 -11.806 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.338 2.935 -10.589 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.556 2.493 -9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.659 0.763 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.345 3.356 -11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.774 2.829 -12.587 1.00 0.00 H new ATOM 1309 N LEU A 84 -6.029 -1.134 -9.594 1.00 0.00 N ATOM 1310 CA LEU A 84 -5.587 -2.514 -9.761 1.00 0.00 C ATOM 1311 C LEU A 84 -6.633 -3.502 -9.244 1.00 0.00 C ATOM 1312 O LEU A 84 -6.510 -4.710 -9.450 1.00 0.00 O ATOM 1313 CB LEU A 84 -4.258 -2.735 -9.036 1.00 0.00 C ATOM 1314 CG LEU A 84 -3.047 -2.062 -9.684 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.844 -2.118 -8.756 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.725 -2.715 -11.019 1.00 0.00 C ATOM 0 H LEU A 84 -5.795 -0.722 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.451 -2.693 -10.828 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.354 -2.369 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.069 -3.807 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.291 -1.015 -9.864 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.992 -1.634 -9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.078 -1.602 -7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.597 -3.158 -8.542 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.861 -2.223 -11.466 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.502 -3.770 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.581 -2.620 -11.686 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.660 -2.986 -8.571 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.719 -3.831 -8.029 1.00 0.00 C ATOM 1330 C ALA A 85 -9.352 -4.691 -9.119 1.00 0.00 C ATOM 1331 O ALA A 85 -9.823 -5.796 -8.855 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.776 -2.974 -7.346 1.00 0.00 C ATOM 0 H ALA A 85 -7.780 -1.990 -8.389 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.275 -4.500 -7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.561 -3.615 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.318 -2.410 -6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.207 -2.282 -8.070 1.00 0.00 H new ATOM 1338 N ASP A 86 -9.358 -4.175 -10.343 1.00 0.00 N ATOM 1339 CA ASP A 86 -9.932 -4.896 -11.474 1.00 0.00 C ATOM 1340 C ASP A 86 -9.150 -6.174 -11.760 1.00 0.00 C ATOM 1341 O ASP A 86 -9.712 -7.168 -12.220 1.00 0.00 O ATOM 1342 CB ASP A 86 -9.949 -4.006 -12.718 1.00 0.00 C ATOM 1343 CG ASP A 86 -11.148 -3.079 -12.749 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -11.248 -2.206 -11.862 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -11.988 -3.226 -13.662 1.00 0.00 O ATOM 0 H ASP A 86 -8.972 -3.260 -10.578 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.955 -5.168 -11.216 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.034 -3.414 -12.750 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.955 -4.633 -13.610 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.850 -6.140 -11.484 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.991 -7.295 -11.712 1.00 0.00 C ATOM 1352 C ALA A 87 -7.227 -8.374 -10.661 1.00 0.00 C ATOM 1353 O ALA A 87 -7.374 -9.552 -10.989 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.530 -6.871 -11.714 1.00 0.00 C ATOM 0 H ALA A 87 -7.369 -5.325 -11.102 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.240 -7.715 -12.687 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.898 -7.743 -11.885 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.364 -6.141 -12.506 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.279 -6.425 -10.752 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.264 -7.965 -9.397 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.483 -8.898 -8.298 1.00 0.00 C ATOM 1362 C TYR A 88 -8.887 -9.491 -8.358 1.00 0.00 C ATOM 1363 O TYR A 88 -9.799 -8.897 -8.933 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.273 -8.194 -6.956 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.819 -7.934 -6.629 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.017 -8.937 -6.100 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.251 -6.687 -6.851 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.689 -8.702 -5.799 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -3.923 -6.444 -6.553 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.146 -7.455 -6.028 1.00 0.00 C ATOM 1371 OH TYR A 88 -1.825 -7.218 -5.730 1.00 0.00 O ATOM 0 H TYR A 88 -7.145 -6.994 -9.109 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.761 -9.709 -8.394 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.810 -7.245 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.712 -8.801 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.438 -9.915 -5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.857 -5.893 -7.263 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.079 -9.492 -5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.497 -5.468 -6.730 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.508 -7.891 -5.092 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.053 -10.667 -7.759 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.345 -11.341 -7.743 1.00 0.00 C ATOM 1383 C VAL A 89 -10.952 -11.333 -6.344 1.00 0.00 C ATOM 1384 O VAL A 89 -11.710 -12.232 -5.980 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.226 -12.797 -8.229 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -9.944 -12.840 -9.723 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.143 -13.531 -7.452 1.00 0.00 C ATOM 0 H VAL A 89 -8.308 -11.172 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.996 -10.791 -8.423 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.176 -13.301 -8.048 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.863 -13.877 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.758 -12.353 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.009 -12.320 -9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.073 -14.559 -7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.186 -13.030 -7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.393 -13.531 -6.391 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.614 -10.312 -5.563 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.125 -10.187 -4.203 1.00 0.00 C ATOM 1399 C ASP A 90 -11.657 -8.778 -3.950 1.00 0.00 C ATOM 1400 O ASP A 90 -12.732 -8.603 -3.377 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.029 -10.521 -3.190 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.037 -11.983 -2.790 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -10.843 -12.353 -1.911 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -9.238 -12.757 -3.357 1.00 0.00 O ATOM 0 H ASP A 90 -9.988 -9.559 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.946 -10.894 -4.083 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.057 -10.269 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.159 -9.903 -2.301 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.896 -7.778 -4.381 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.289 -6.386 -4.203 1.00 0.00 C ATOM 1411 C LEU A 91 -12.215 -5.936 -5.328 1.00 0.00 C ATOM 1412 O LEU A 91 -11.938 -6.173 -6.504 1.00 0.00 O ATOM 1413 CB LEU A 91 -10.053 -5.487 -4.154 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.997 -5.892 -3.123 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.642 -5.308 -3.488 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.415 -5.445 -1.730 1.00 0.00 C ATOM 0 H LEU A 91 -10.003 -7.906 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.826 -6.304 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.590 -5.478 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.373 -4.467 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.913 -6.979 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.904 -5.607 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.339 -5.677 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.710 -4.220 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.653 -5.741 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.528 -4.361 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.364 -5.912 -1.467 1.00 0.00 H new ATOM 1428 N ARG A 92 -13.314 -5.287 -4.959 1.00 0.00 N ATOM 1429 CA ARG A 92 -14.284 -4.802 -5.934 1.00 0.00 C ATOM 1430 C ARG A 92 -15.483 -4.166 -5.234 1.00 0.00 C ATOM 1431 O ARG A 92 -15.794 -2.996 -5.458 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.755 -5.948 -6.836 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.080 -5.966 -8.199 1.00 0.00 C ATOM 1434 CD ARG A 92 -15.069 -6.288 -9.307 1.00 0.00 C ATOM 1435 NE ARG A 92 -16.171 -5.330 -9.355 1.00 0.00 N ATOM 1436 CZ ARG A 92 -17.151 -5.372 -10.254 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -17.171 -6.322 -11.180 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -18.114 -4.460 -10.226 1.00 0.00 N ATOM 0 H ARG A 92 -13.556 -5.084 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.797 -4.045 -6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.566 -6.896 -6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.833 -5.871 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.620 -4.997 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.279 -6.705 -8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.550 -6.292 -10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.468 -7.291 -9.156 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.190 -4.585 -8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -16.433 -7.025 -11.205 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -17.925 -6.349 -11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.103 -3.728 -9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.866 -4.491 -10.915 1.00 0.00 H new ATOM 1452 N PRO A 93 -16.172 -4.932 -4.372 1.00 0.00 N ATOM 1453 CA PRO A 93 -17.339 -4.440 -3.639 1.00 0.00 C ATOM 1454 C PRO A 93 -16.955 -3.566 -2.447 1.00 0.00 C ATOM 1455 O PRO A 93 -17.801 -2.879 -1.874 1.00 0.00 O ATOM 1456 CB PRO A 93 -18.016 -5.725 -3.166 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.900 -6.700 -3.006 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.868 -6.341 -4.045 1.00 0.00 C ATOM 0 HA PRO A 93 -17.974 -3.805 -4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.546 -5.571 -2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.749 -6.077 -3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.477 -6.645 -2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.254 -7.721 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.855 -6.452 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.945 -6.981 -4.924 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.678 -3.597 -2.077 1.00 0.00 N ATOM 1467 CA TRP A 94 -15.188 -2.806 -0.954 1.00 0.00 C ATOM 1468 C TRP A 94 -14.962 -1.355 -1.365 1.00 0.00 C ATOM 1469 O TRP A 94 -15.485 -0.433 -0.737 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.888 -3.404 -0.413 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.359 -2.688 0.792 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.977 -2.558 2.003 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -12.106 -2.003 0.904 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -13.184 -1.834 2.861 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -12.031 -1.482 2.209 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -11.040 -1.780 0.027 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.932 -0.754 2.658 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.950 -1.057 0.473 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.904 -0.551 1.779 1.00 0.00 C ATOM 0 H TRP A 94 -14.965 -4.161 -2.539 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.945 -2.827 -0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.056 -4.451 -0.160 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.133 -3.384 -1.199 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.947 -2.964 2.250 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.416 -1.597 3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -11.068 -2.166 -0.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.893 -0.364 3.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -9.121 -0.879 -0.195 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -9.039 0.011 2.098 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.181 -1.157 -2.422 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.887 0.182 -2.916 1.00 0.00 C ATOM 1492 C LEU A 95 -15.162 0.891 -3.363 1.00 0.00 C ATOM 1493 O LEU A 95 -15.398 2.046 -3.011 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.894 0.114 -4.078 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.611 -0.667 -3.790 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.077 -1.302 -5.064 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.564 0.240 -3.165 1.00 0.00 C ATOM 0 H LEU A 95 -13.740 -1.908 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.443 0.752 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.392 -0.339 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.625 1.130 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.843 -1.462 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.164 -1.854 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.823 -1.985 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.861 -0.523 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.658 -0.333 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.335 1.057 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.947 0.648 -2.230 1.00 0.00 H new ATOM 1509 N LEU A 96 -15.979 0.191 -4.143 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.229 0.752 -4.639 1.00 0.00 C ATOM 1511 C LEU A 96 -18.146 1.149 -3.484 1.00 0.00 C ATOM 1512 O LEU A 96 -18.916 2.103 -3.591 1.00 0.00 O ATOM 1513 CB LEU A 96 -17.938 -0.254 -5.549 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.723 -0.034 -7.047 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -17.634 -1.365 -7.776 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.842 0.820 -7.624 1.00 0.00 C ATOM 0 H LEU A 96 -15.797 -0.766 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.993 1.648 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.597 -1.257 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.007 -0.218 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.780 0.494 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.481 -1.187 -8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.798 -1.941 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.560 -1.922 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.674 0.967 -8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.798 0.318 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.857 1.787 -7.122 1.00 0.00 H new ATOM 1528 N GLU A 97 -18.056 0.412 -2.382 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.877 0.689 -1.209 1.00 0.00 C ATOM 1530 C GLU A 97 -18.464 2.003 -0.553 1.00 0.00 C ATOM 1531 O GLU A 97 -19.245 2.953 -0.499 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.767 -0.459 -0.201 1.00 0.00 C ATOM 1533 CG GLU A 97 -20.035 -1.288 -0.083 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.801 -1.006 1.194 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -21.539 0.001 1.233 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -20.663 -1.790 2.155 1.00 0.00 O ATOM 0 H GLU A 97 -17.423 -0.381 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.914 0.778 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.943 -1.110 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.518 -0.049 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.678 -1.085 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.777 -2.346 -0.121 1.00 0.00 H new ATOM 1543 N ILE A 98 -17.232 2.049 -0.056 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.717 3.246 0.596 1.00 0.00 C ATOM 1545 C ILE A 98 -16.656 4.420 -0.376 1.00 0.00 C ATOM 1546 O ILE A 98 -16.769 5.577 0.027 1.00 0.00 O ATOM 1547 CB ILE A 98 -15.312 3.007 1.182 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -14.372 2.461 0.107 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -15.386 2.051 2.363 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.963 3.009 0.201 1.00 0.00 C ATOM 0 H ILE A 98 -16.573 1.271 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.406 3.484 1.407 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.916 3.959 1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.337 1.374 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.780 2.697 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.386 1.892 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -16.025 2.477 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.800 1.098 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.352 2.579 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.986 4.093 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.536 2.750 1.170 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.476 4.114 -1.656 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.403 5.155 -2.664 1.00 0.00 C ATOM 1564 C GLY A 99 -15.167 6.019 -2.518 1.00 0.00 C ATOM 1565 O GLY A 99 -15.230 7.115 -1.960 1.00 0.00 O ATOM 0 H GLY A 99 -16.379 3.164 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.408 4.699 -3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.291 5.783 -2.598 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.040 5.526 -3.019 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.783 6.260 -2.940 1.00 0.00 C ATOM 1571 C PHE A 100 -12.778 7.434 -3.914 1.00 0.00 C ATOM 1572 O PHE A 100 -12.172 7.363 -4.984 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.604 5.331 -3.235 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.275 5.897 -2.821 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.785 5.680 -1.543 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.519 6.644 -3.709 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.563 6.199 -1.158 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.297 7.165 -3.330 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.818 6.943 -2.053 1.00 0.00 C ATOM 0 H PHE A 100 -13.971 4.621 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.682 6.650 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.762 4.383 -2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.581 5.115 -4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.364 5.099 -0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.889 6.821 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.191 6.023 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.716 7.746 -4.031 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.863 7.350 -1.755 1.00 0.00 H new ATOM 1589 N SER A 101 -13.455 8.514 -3.537 1.00 0.00 N ATOM 1590 CA SER A 101 -13.529 9.703 -4.378 1.00 0.00 C ATOM 1591 C SER A 101 -13.085 10.942 -3.607 1.00 0.00 C ATOM 1592 O SER A 101 -13.571 12.046 -3.853 1.00 0.00 O ATOM 1593 CB SER A 101 -14.953 9.897 -4.901 1.00 0.00 C ATOM 1594 OG SER A 101 -15.297 8.887 -5.834 1.00 0.00 O ATOM 0 H SER A 101 -13.960 8.590 -2.654 1.00 0.00 H new ATOM 0 HA SER A 101 -12.856 9.562 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.655 9.880 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.040 10.876 -5.372 1.00 0.00 H new ATOM 0 HG SER A 101 -16.213 9.033 -6.152 1.00 0.00 H new ATOM 1600 N SER A 102 -12.158 10.751 -2.674 1.00 0.00 N ATOM 1601 CA SER A 102 -11.648 11.852 -1.866 1.00 0.00 C ATOM 1602 C SER A 102 -10.371 12.424 -2.472 1.00 0.00 C ATOM 1603 O SER A 102 -9.721 11.781 -3.297 1.00 0.00 O ATOM 1604 CB SER A 102 -11.381 11.381 -0.435 1.00 0.00 C ATOM 1605 OG SER A 102 -11.715 12.387 0.504 1.00 0.00 O ATOM 0 H SER A 102 -11.745 9.844 -2.459 1.00 0.00 H new ATOM 0 HA SER A 102 -12.404 12.637 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.962 10.481 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.330 11.113 -0.327 1.00 0.00 H new ATOM 0 HG SER A 102 -11.537 12.060 1.411 1.00 0.00 H new ATOM 1611 N GLY A 103 -10.017 13.636 -2.059 1.00 0.00 N ATOM 1612 CA GLY A 103 -8.819 14.274 -2.571 1.00 0.00 C ATOM 1613 C GLY A 103 -9.113 15.232 -3.711 1.00 0.00 C ATOM 1614 O GLY A 103 -8.631 15.037 -4.827 1.00 0.00 O ATOM 0 H GLY A 103 -10.539 14.188 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.326 14.815 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.122 13.509 -2.914 1.00 0.00 H new ATOM 1618 N PRO A 104 -9.909 16.285 -3.459 1.00 0.00 N ATOM 1619 CA PRO A 104 -10.260 17.273 -4.485 1.00 0.00 C ATOM 1620 C PRO A 104 -9.071 18.140 -4.883 1.00 0.00 C ATOM 1621 O PRO A 104 -8.996 18.629 -6.011 1.00 0.00 O ATOM 1622 CB PRO A 104 -11.338 18.121 -3.809 1.00 0.00 C ATOM 1623 CG PRO A 104 -11.068 17.986 -2.350 1.00 0.00 C ATOM 1624 CD PRO A 104 -10.528 16.596 -2.157 1.00 0.00 C ATOM 0 HA PRO A 104 -10.590 16.800 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.280 19.162 -4.127 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -12.337 17.765 -4.061 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -10.349 18.734 -2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -11.978 18.136 -1.769 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.800 16.557 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.319 15.888 -1.909 1.00 0.00 H new ATOM 1632 N SER A 105 -8.142 18.327 -3.951 1.00 0.00 N ATOM 1633 CA SER A 105 -6.956 19.137 -4.205 1.00 0.00 C ATOM 1634 C SER A 105 -5.690 18.287 -4.126 1.00 0.00 C ATOM 1635 O SER A 105 -5.285 17.859 -3.046 1.00 0.00 O ATOM 1636 CB SER A 105 -6.874 20.289 -3.203 1.00 0.00 C ATOM 1637 OG SER A 105 -8.061 21.061 -3.215 1.00 0.00 O ATOM 0 H SER A 105 -8.188 17.929 -3.013 1.00 0.00 H new ATOM 0 HA SER A 105 -7.036 19.547 -5.212 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.704 19.893 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 105 -6.021 20.924 -3.443 1.00 0.00 H new ATOM 0 HG SER A 105 -7.984 21.790 -2.565 1.00 0.00 H new ATOM 1643 N SER A 106 -5.072 18.048 -5.278 1.00 0.00 N ATOM 1644 CA SER A 106 -3.853 17.251 -5.340 1.00 0.00 C ATOM 1645 C SER A 106 -2.641 18.129 -5.633 1.00 0.00 C ATOM 1646 O SER A 106 -2.507 18.673 -6.728 1.00 0.00 O ATOM 1647 CB SER A 106 -3.981 16.165 -6.410 1.00 0.00 C ATOM 1648 OG SER A 106 -3.323 14.975 -6.013 1.00 0.00 O ATOM 0 H SER A 106 -5.396 18.395 -6.181 1.00 0.00 H new ATOM 0 HA SER A 106 -3.710 16.779 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.035 15.956 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.556 16.523 -7.348 1.00 0.00 H new ATOM 0 HG SER A 106 -3.422 14.297 -6.714 1.00 0.00 H new ATOM 1654 N GLY A 107 -1.762 18.263 -4.646 1.00 0.00 N ATOM 1655 CA GLY A 107 -0.572 19.077 -4.818 1.00 0.00 C ATOM 1656 C GLY A 107 0.605 18.280 -5.343 1.00 0.00 C ATOM 1657 O GLY A 107 0.618 17.045 -5.155 1.00 0.00 O ATOM 1658 OXT GLY A 107 1.513 18.889 -5.946 1.00 0.00 O ATOM 0 H GLY A 107 -1.852 17.823 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.790 19.893 -5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.304 19.529 -3.863 1.00 0.00 H new TER 1662 GLY A 107