USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 750 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 67 TYR OH : rot 121:sc= -6.33! USER MOD Set 1.2: A 77 MET CE :methyl -121:sc= -9.34! (180deg=-8.51!) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -6.5! C(o=-13!,f=-24!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -6.78! C(o=-13!,f=-16!) USER MOD Set 3.1: A 11 SER OG : rot -89:sc= -1.51! USER MOD Set 3.2: A 44 HIS : no HD1:sc= -16.7! C(o=-18!,f=-17!) USER MOD Set 4.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 32 LYS NZ :NH3+ -147:sc= 0.052 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot -50:sc= -6.77! USER MOD Single : A 18 THR OG1 : rot 180:sc=0.000354 USER MOD Single : A 25 THR OG1 : rot 154:sc= -2.7! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.069) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.07! C(o=-6.1!,f=-5.3!) USER MOD Single : A 36 SER OG : rot -150:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.497 (180deg=-0.997) USER MOD Single : A 48 ASN : amide:sc= -5.83! C(o=-5.8!,f=-7.3!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.797! USER MOD Single : A 55 MET CE :methyl -160:sc= -19.6! (180deg=-20.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -4:sc= 0.641 USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= -1.35 (180deg=-4.02!) USER MOD Single : A 69 GLN : amide:sc= -8.88! C(o=-8.9!,f=-8.2!) USER MOD Single : A 80 CYS SG : rot -53:sc= -1.9 USER MOD Single : A 83 SER OG : rot 180:sc= -0.25 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 155:sc= -0.0375 (180deg=-0.333) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -9.06! C(o=-9.1!,f=-15!) USER MOD Single : A 107 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.19) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.588 -13.984 0.414 1.00 0.00 N ATOM 12 CA LEU A 2 -7.600 -13.034 -0.071 1.00 0.00 C ATOM 13 C LEU A 2 -6.218 -13.690 -0.055 1.00 0.00 C ATOM 14 O LEU A 2 -5.913 -14.485 0.833 1.00 0.00 O ATOM 15 CB LEU A 2 -7.671 -11.731 0.728 1.00 0.00 C ATOM 16 CG LEU A 2 -6.451 -10.813 0.625 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.822 -9.479 -0.025 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.793 -10.621 1.994 1.00 0.00 C ATOM 0 HA LEU A 2 -7.812 -12.759 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.549 -11.174 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.826 -11.980 1.778 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.716 -11.292 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.937 -8.845 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.210 -9.658 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.584 -8.981 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.929 -9.965 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.510 -10.174 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.471 -11.588 2.382 1.00 0.00 H new ATOM 29 N GLY A 3 -5.417 -13.333 -1.049 1.00 0.00 N ATOM 30 CA GLY A 3 -4.075 -13.877 -1.161 1.00 0.00 C ATOM 31 C GLY A 3 -3.069 -13.015 -0.397 1.00 0.00 C ATOM 32 O GLY A 3 -3.432 -12.330 0.558 1.00 0.00 O ATOM 0 H GLY A 3 -5.672 -12.673 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.058 -14.895 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.788 -13.933 -2.211 1.00 0.00 H new ATOM 36 N ILE A 4 -1.823 -13.078 -0.844 1.00 0.00 N ATOM 37 CA ILE A 4 -0.762 -12.312 -0.214 1.00 0.00 C ATOM 38 C ILE A 4 0.569 -12.635 -0.896 1.00 0.00 C ATOM 39 O ILE A 4 0.883 -13.800 -1.132 1.00 0.00 O ATOM 40 CB ILE A 4 -0.752 -12.553 1.296 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.469 -11.255 2.057 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.235 -13.662 1.669 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.484 -10.355 1.269 1.00 0.00 C ATOM 0 H ILE A 4 -1.525 -13.648 -1.635 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.936 -11.244 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.744 -12.892 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.404 -10.727 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.035 -11.487 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.222 -13.813 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.052 -14.588 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.239 -13.377 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.669 -9.440 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.427 -10.877 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.037 -10.106 0.307 1.00 0.00 H new ATOM 54 N ASP A 5 1.315 -11.581 -1.196 1.00 0.00 N ATOM 55 CA ASP A 5 2.604 -11.738 -1.847 1.00 0.00 C ATOM 56 C ASP A 5 3.569 -10.673 -1.321 1.00 0.00 C ATOM 57 O ASP A 5 3.172 -9.533 -1.085 1.00 0.00 O ATOM 58 CB ASP A 5 2.482 -11.558 -3.362 1.00 0.00 C ATOM 59 CG ASP A 5 2.999 -12.731 -4.196 1.00 0.00 C ATOM 60 OD1 ASP A 5 3.559 -13.700 -3.659 1.00 0.00 O ATOM 61 OD2 ASP A 5 2.806 -12.624 -5.467 1.00 0.00 O ATOM 0 H ASP A 5 1.051 -10.615 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 5 2.971 -12.742 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.434 -11.390 -3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.026 -10.659 -3.651 1.00 0.00 H new ATOM 66 N MET A 6 4.818 -11.083 -1.153 1.00 0.00 N ATOM 67 CA MET A 6 5.842 -10.179 -0.660 1.00 0.00 C ATOM 68 C MET A 6 7.139 -10.330 -1.458 1.00 0.00 C ATOM 69 O MET A 6 7.583 -11.447 -1.721 1.00 0.00 O ATOM 70 CB MET A 6 6.114 -10.472 0.817 1.00 0.00 C ATOM 71 CG MET A 6 5.000 -9.910 1.703 1.00 0.00 C ATOM 72 SD MET A 6 5.228 -10.453 3.387 1.00 0.00 S ATOM 73 CE MET A 6 3.778 -9.734 4.142 1.00 0.00 C ATOM 0 H MET A 6 5.143 -12.029 -1.350 1.00 0.00 H new ATOM 0 HA MET A 6 5.483 -9.156 -0.777 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.196 -11.548 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.070 -10.036 1.108 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.004 -8.821 1.660 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.029 -10.240 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.762 -9.978 5.204 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.802 -8.651 4.018 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.883 -10.134 3.665 1.00 0.00 H new ATOM 81 N ASN A 7 7.709 -9.191 -1.821 1.00 0.00 N ATOM 82 CA ASN A 7 8.945 -9.183 -2.584 1.00 0.00 C ATOM 83 C ASN A 7 9.865 -8.086 -2.046 1.00 0.00 C ATOM 84 O ASN A 7 9.413 -7.177 -1.350 1.00 0.00 O ATOM 85 CB ASN A 7 8.678 -8.893 -4.063 1.00 0.00 C ATOM 86 CG ASN A 7 9.113 -10.070 -4.939 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.353 -10.984 -5.218 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.374 -9.998 -5.356 1.00 0.00 N ATOM 0 H ASN A 7 7.338 -8.267 -1.601 1.00 0.00 H new ATOM 0 HA ASN A 7 9.407 -10.165 -2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.616 -8.696 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.215 -7.993 -4.364 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.759 -10.736 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.956 -9.205 -5.086 1.00 0.00 H new ATOM 94 N VAL A 8 11.140 -8.205 -2.389 1.00 0.00 N ATOM 95 CA VAL A 8 12.127 -7.234 -1.948 1.00 0.00 C ATOM 96 C VAL A 8 12.930 -6.746 -3.155 1.00 0.00 C ATOM 97 O VAL A 8 13.233 -7.524 -4.059 1.00 0.00 O ATOM 98 CB VAL A 8 13.004 -7.840 -0.851 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.468 -7.904 -1.292 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.860 -7.062 0.459 1.00 0.00 C ATOM 0 H VAL A 8 11.512 -8.959 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 8 11.638 -6.364 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 8 12.662 -8.860 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.070 -8.339 -0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.552 -8.521 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.827 -6.898 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.494 -7.514 1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.162 -6.027 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.821 -7.091 0.787 1.00 0.00 H new ATOM 110 N LYS A 9 13.255 -5.462 -3.131 1.00 0.00 N ATOM 111 CA LYS A 9 14.017 -4.862 -4.212 1.00 0.00 C ATOM 112 C LYS A 9 14.897 -3.743 -3.651 1.00 0.00 C ATOM 113 O LYS A 9 14.405 -2.663 -3.328 1.00 0.00 O ATOM 114 CB LYS A 9 13.086 -4.405 -5.336 1.00 0.00 C ATOM 115 CG LYS A 9 11.664 -4.925 -5.115 1.00 0.00 C ATOM 116 CD LYS A 9 11.522 -6.365 -5.613 1.00 0.00 C ATOM 117 CE LYS A 9 10.511 -6.452 -6.758 1.00 0.00 C ATOM 118 NZ LYS A 9 11.125 -7.092 -7.943 1.00 0.00 N ATOM 0 H LYS A 9 13.004 -4.820 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 9 14.683 -5.599 -4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.076 -3.316 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.463 -4.763 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.416 -4.877 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.954 -4.284 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.491 -6.734 -5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.203 -7.008 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.639 -7.024 -6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.160 -5.453 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.426 -7.143 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.943 -6.531 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.439 -8.052 -7.696 1.00 0.00 H new ATOM 127 N GLU A 10 16.185 -4.041 -3.550 1.00 0.00 N ATOM 128 CA GLU A 10 17.138 -3.074 -3.032 1.00 0.00 C ATOM 129 C GLU A 10 16.804 -2.723 -1.581 1.00 0.00 C ATOM 130 O GLU A 10 17.686 -2.349 -0.810 1.00 0.00 O ATOM 131 CB GLU A 10 17.174 -1.819 -3.905 1.00 0.00 C ATOM 132 CG GLU A 10 17.817 -0.649 -3.157 1.00 0.00 C ATOM 133 CD GLU A 10 18.692 0.187 -4.093 1.00 0.00 C ATOM 134 OE1 GLU A 10 19.177 -0.328 -5.112 1.00 0.00 O ATOM 135 OE2 GLU A 10 18.863 1.413 -3.730 1.00 0.00 O ATOM 0 H GLU A 10 16.590 -4.938 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 10 18.131 -3.523 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.733 -2.023 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.161 -1.551 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.040 -0.020 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.420 -1.028 -2.332 1.00 0.00 H new ATOM 141 N SER A 11 15.528 -2.858 -1.252 1.00 0.00 N ATOM 142 CA SER A 11 15.066 -2.560 0.093 1.00 0.00 C ATOM 143 C SER A 11 13.550 -2.355 0.092 1.00 0.00 C ATOM 144 O SER A 11 12.940 -2.199 1.149 1.00 0.00 O ATOM 145 CB SER A 11 15.769 -1.323 0.654 1.00 0.00 C ATOM 146 OG SER A 11 16.491 -0.617 -0.350 1.00 0.00 O ATOM 0 H SER A 11 14.799 -3.170 -1.894 1.00 0.00 H new ATOM 0 HA SER A 11 15.311 -3.406 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.030 -0.659 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.453 -1.624 1.448 1.00 0.00 H new ATOM 0 HG SER A 11 17.404 -0.970 -0.406 1.00 0.00 H new ATOM 151 N VAL A 12 12.984 -2.361 -1.106 1.00 0.00 N ATOM 152 CA VAL A 12 11.550 -2.178 -1.258 1.00 0.00 C ATOM 153 C VAL A 12 10.847 -3.525 -1.079 1.00 0.00 C ATOM 154 O VAL A 12 11.185 -4.499 -1.748 1.00 0.00 O ATOM 155 CB VAL A 12 11.248 -1.519 -2.605 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.506 -2.488 -3.760 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.812 -0.989 -2.645 1.00 0.00 C ATOM 0 H VAL A 12 13.492 -2.490 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 12 11.166 -1.507 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 12 11.923 -0.671 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.283 -1.994 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.551 -2.797 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.867 -3.364 -3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.622 -0.525 -3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.115 -1.814 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.675 -0.250 -1.855 1.00 0.00 H new ATOM 167 N LEU A 13 9.881 -3.536 -0.172 1.00 0.00 N ATOM 168 CA LEU A 13 9.127 -4.747 0.104 1.00 0.00 C ATOM 169 C LEU A 13 7.796 -4.695 -0.650 1.00 0.00 C ATOM 170 O LEU A 13 6.851 -4.045 -0.205 1.00 0.00 O ATOM 171 CB LEU A 13 8.972 -4.950 1.612 1.00 0.00 C ATOM 172 CG LEU A 13 9.520 -3.831 2.500 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.435 -2.798 2.813 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.154 -4.400 3.770 1.00 0.00 C ATOM 0 H LEU A 13 9.603 -2.725 0.381 1.00 0.00 H new ATOM 0 HA LEU A 13 9.666 -5.623 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.912 -5.077 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.469 -5.881 1.886 1.00 0.00 H new ATOM 0 HG LEU A 13 10.307 -3.314 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.851 -2.014 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.071 -2.360 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.609 -3.284 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.536 -3.584 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.405 -4.957 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.974 -5.065 3.501 1.00 0.00 H new ATOM 185 N CYS A 14 7.764 -5.390 -1.778 1.00 0.00 N ATOM 186 CA CYS A 14 6.564 -5.433 -2.596 1.00 0.00 C ATOM 187 C CYS A 14 5.534 -6.320 -1.894 1.00 0.00 C ATOM 188 O CYS A 14 5.862 -7.410 -1.432 1.00 0.00 O ATOM 189 CB CYS A 14 6.864 -5.920 -4.016 1.00 0.00 C ATOM 190 SG CYS A 14 8.603 -5.550 -4.450 1.00 0.00 S ATOM 0 H CYS A 14 8.550 -5.928 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 14 6.160 -4.427 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.683 -6.992 -4.087 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.193 -5.436 -4.725 1.00 0.00 H new ATOM 0 HG CYS A 14 8.860 -4.303 -4.187 1.00 0.00 H new ATOM 195 N ILE A 15 4.309 -5.817 -1.837 1.00 0.00 N ATOM 196 CA ILE A 15 3.229 -6.550 -1.199 1.00 0.00 C ATOM 197 C ILE A 15 2.068 -6.700 -2.186 1.00 0.00 C ATOM 198 O ILE A 15 1.249 -5.795 -2.328 1.00 0.00 O ATOM 199 CB ILE A 15 2.833 -5.882 0.119 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.649 -6.443 1.285 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.327 -6.001 0.363 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.147 -6.235 1.056 1.00 0.00 C ATOM 0 H ILE A 15 4.041 -4.911 -2.222 1.00 0.00 H new ATOM 0 HA ILE A 15 3.555 -7.556 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 15 3.064 -4.819 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.348 -5.955 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.440 -7.506 1.402 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.072 -5.518 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.787 -5.516 -0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.048 -7.054 0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.704 -6.643 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.449 -6.744 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.356 -5.169 0.964 1.00 0.00 H new ATOM 213 N ARG A 16 2.036 -7.852 -2.841 1.00 0.00 N ATOM 214 CA ARG A 16 0.990 -8.132 -3.809 1.00 0.00 C ATOM 215 C ARG A 16 -0.177 -8.858 -3.135 1.00 0.00 C ATOM 216 O ARG A 16 -0.082 -10.046 -2.832 1.00 0.00 O ATOM 217 CB ARG A 16 1.520 -8.991 -4.959 1.00 0.00 C ATOM 218 CG ARG A 16 1.306 -8.297 -6.306 1.00 0.00 C ATOM 219 CD ARG A 16 2.643 -8.014 -6.995 1.00 0.00 C ATOM 220 NE ARG A 16 2.427 -7.775 -8.438 1.00 0.00 N ATOM 221 CZ ARG A 16 3.389 -7.894 -9.378 1.00 0.00 C ATOM 222 NH1 ARG A 16 4.644 -8.252 -9.031 1.00 0.00 N ATOM 223 NH2 ARG A 16 3.085 -7.656 -10.640 1.00 0.00 N ATOM 0 H ARG A 16 2.717 -8.601 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 16 0.646 -7.179 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.582 -9.187 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.015 -9.957 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.687 -8.924 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.765 -7.363 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.119 -7.145 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.320 -8.857 -6.855 1.00 0.00 H new ATOM 0 HE ARG A 16 1.492 -7.503 -8.743 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.870 -8.435 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.366 -8.340 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.134 -7.386 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.801 -7.742 -11.362 1.00 0.00 H new ATOM 233 N LEU A 17 -1.251 -8.113 -2.920 1.00 0.00 N ATOM 234 CA LEU A 17 -2.434 -8.670 -2.289 1.00 0.00 C ATOM 235 C LEU A 17 -3.450 -9.055 -3.366 1.00 0.00 C ATOM 236 O LEU A 17 -3.767 -8.250 -4.241 1.00 0.00 O ATOM 237 CB LEU A 17 -2.988 -7.702 -1.239 1.00 0.00 C ATOM 238 CG LEU A 17 -2.740 -8.085 0.222 1.00 0.00 C ATOM 239 CD1 LEU A 17 -3.225 -9.507 0.507 1.00 0.00 C ATOM 240 CD2 LEU A 17 -1.269 -7.895 0.596 1.00 0.00 C ATOM 0 H LEU A 17 -1.326 -7.127 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.182 -9.582 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.553 -6.718 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.063 -7.607 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.322 -7.415 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.037 -9.753 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.294 -9.574 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.690 -10.209 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.120 -8.174 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.647 -8.525 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.990 -6.851 0.456 1.00 0.00 H new ATOM 251 N THR A 18 -3.931 -10.285 -3.267 1.00 0.00 N ATOM 252 CA THR A 18 -4.905 -10.787 -4.223 1.00 0.00 C ATOM 253 C THR A 18 -6.126 -11.352 -3.494 1.00 0.00 C ATOM 254 O THR A 18 -6.022 -12.348 -2.782 1.00 0.00 O ATOM 255 CB THR A 18 -4.204 -11.810 -5.118 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.272 -12.450 -4.250 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.328 -11.152 -6.186 1.00 0.00 C ATOM 0 H THR A 18 -3.665 -10.949 -2.540 1.00 0.00 H new ATOM 0 HA THR A 18 -5.287 -9.986 -4.857 1.00 0.00 H new ATOM 0 HB THR A 18 -4.950 -12.442 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.774 -13.131 -4.749 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.854 -11.923 -6.793 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.945 -10.517 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.560 -10.546 -5.704 1.00 0.00 H new ATOM 265 N GLY A 19 -7.255 -10.689 -3.698 1.00 0.00 N ATOM 266 CA GLY A 19 -8.495 -11.113 -3.069 1.00 0.00 C ATOM 267 C GLY A 19 -9.446 -9.929 -2.882 1.00 0.00 C ATOM 268 O GLY A 19 -9.846 -9.289 -3.853 1.00 0.00 O ATOM 0 H GLY A 19 -7.337 -9.862 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.975 -11.877 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.280 -11.568 -2.102 1.00 0.00 H new ATOM 272 N GLU A 20 -9.784 -9.676 -1.626 1.00 0.00 N ATOM 273 CA GLU A 20 -10.682 -8.581 -1.299 1.00 0.00 C ATOM 274 C GLU A 20 -10.015 -7.626 -0.307 1.00 0.00 C ATOM 275 O GLU A 20 -9.099 -8.016 0.417 1.00 0.00 O ATOM 276 CB GLU A 20 -12.008 -9.106 -0.746 1.00 0.00 C ATOM 277 CG GLU A 20 -13.120 -8.996 -1.792 1.00 0.00 C ATOM 278 CD GLU A 20 -13.338 -10.333 -2.504 1.00 0.00 C ATOM 279 OE1 GLU A 20 -14.461 -10.857 -2.507 1.00 0.00 O ATOM 280 OE2 GLU A 20 -12.288 -10.825 -3.070 1.00 0.00 O ATOM 0 H GLU A 20 -9.452 -10.210 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.900 -8.030 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.893 -10.146 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.284 -8.541 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.046 -8.681 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.863 -8.229 -2.522 1.00 0.00 H new ATOM 286 N LEU A 21 -10.498 -6.393 -0.305 1.00 0.00 N ATOM 287 CA LEU A 21 -9.961 -5.379 0.586 1.00 0.00 C ATOM 288 C LEU A 21 -11.043 -4.953 1.580 1.00 0.00 C ATOM 289 O LEU A 21 -11.888 -4.117 1.262 1.00 0.00 O ATOM 290 CB LEU A 21 -9.372 -4.217 -0.217 1.00 0.00 C ATOM 291 CG LEU A 21 -7.846 -4.164 -0.301 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.234 -5.542 -0.036 1.00 0.00 C ATOM 293 CD2 LEU A 21 -7.389 -3.582 -1.639 1.00 0.00 C ATOM 0 H LEU A 21 -11.256 -6.073 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.134 -5.785 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.770 -4.263 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.724 -3.283 0.221 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.485 -3.495 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.148 -5.477 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.517 -5.880 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.600 -6.252 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.300 -3.556 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.762 -4.204 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.779 -2.570 -1.748 1.00 0.00 H new ATOM 304 N ASP A 22 -10.982 -5.547 2.762 1.00 0.00 N ATOM 305 CA ASP A 22 -11.947 -5.239 3.804 1.00 0.00 C ATOM 306 C ASP A 22 -11.314 -5.502 5.173 1.00 0.00 C ATOM 307 O ASP A 22 -10.242 -6.097 5.261 1.00 0.00 O ATOM 308 CB ASP A 22 -13.190 -6.123 3.682 1.00 0.00 C ATOM 309 CG ASP A 22 -13.142 -7.155 2.553 1.00 0.00 C ATOM 310 OD1 ASP A 22 -12.790 -6.833 1.409 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.489 -8.350 2.892 1.00 0.00 O ATOM 0 H ASP A 22 -10.280 -6.240 3.022 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.235 -4.193 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.339 -6.647 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.059 -5.483 3.532 1.00 0.00 H new ATOM 316 N HIS A 23 -12.004 -5.043 6.206 1.00 0.00 N ATOM 317 CA HIS A 23 -11.523 -5.219 7.565 1.00 0.00 C ATOM 318 C HIS A 23 -11.020 -6.653 7.749 1.00 0.00 C ATOM 319 O HIS A 23 -10.181 -6.914 8.609 1.00 0.00 O ATOM 320 CB HIS A 23 -12.604 -4.835 8.579 1.00 0.00 C ATOM 321 CG HIS A 23 -13.497 -5.982 8.987 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.287 -6.723 10.137 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.606 -6.505 8.389 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.232 -7.648 10.216 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.048 -7.512 9.132 1.00 0.00 N ATOM 0 H HIS A 23 -12.893 -4.549 6.129 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.683 -4.549 7.747 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.125 -4.427 9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.220 -4.041 8.156 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.049 -6.158 7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.338 -8.382 11.002 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.864 -8.089 8.926 1.00 0.00 H new ATOM 332 N HIS A 24 -11.556 -7.543 6.928 1.00 0.00 N ATOM 333 CA HIS A 24 -11.172 -8.944 6.989 1.00 0.00 C ATOM 334 C HIS A 24 -9.798 -9.128 6.341 1.00 0.00 C ATOM 335 O HIS A 24 -8.899 -9.714 6.943 1.00 0.00 O ATOM 336 CB HIS A 24 -12.248 -9.830 6.358 1.00 0.00 C ATOM 337 CG HIS A 24 -13.481 -10.002 7.213 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.644 -11.062 8.088 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.606 -9.238 7.320 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.819 -10.934 8.688 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.414 -9.802 8.210 1.00 0.00 N ATOM 0 H HIS A 24 -12.253 -7.322 6.217 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.090 -9.257 8.030 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.540 -9.402 5.399 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.821 -10.812 6.152 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.973 -11.814 8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.806 -8.328 6.773 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.233 -11.606 9.425 1.00 0.00 H new ATOM 348 N THR A 25 -9.679 -8.616 5.125 1.00 0.00 N ATOM 349 CA THR A 25 -8.430 -8.717 4.391 1.00 0.00 C ATOM 350 C THR A 25 -7.457 -7.625 4.840 1.00 0.00 C ATOM 351 O THR A 25 -6.243 -7.814 4.796 1.00 0.00 O ATOM 352 CB THR A 25 -8.755 -8.665 2.896 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.672 -7.279 2.571 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.212 -9.030 2.601 1.00 0.00 C ATOM 0 H THR A 25 -10.427 -8.130 4.630 1.00 0.00 H new ATOM 0 HA THR A 25 -7.926 -9.661 4.596 1.00 0.00 H new ATOM 0 HB THR A 25 -8.094 -9.344 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.450 -7.178 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.390 -8.978 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.412 -10.042 2.953 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.873 -8.331 3.113 1.00 0.00 H new ATOM 362 N ALA A 26 -8.028 -6.506 5.260 1.00 0.00 N ATOM 363 CA ALA A 26 -7.226 -5.383 5.717 1.00 0.00 C ATOM 364 C ALA A 26 -6.431 -5.800 6.956 1.00 0.00 C ATOM 365 O ALA A 26 -5.494 -5.111 7.357 1.00 0.00 O ATOM 366 CB ALA A 26 -8.136 -4.182 5.986 1.00 0.00 C ATOM 0 H ALA A 26 -9.036 -6.352 5.294 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.510 -5.086 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.535 -3.340 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.656 -3.907 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.866 -4.443 6.753 1.00 0.00 H new ATOM 372 N GLU A 27 -6.832 -6.926 7.526 1.00 0.00 N ATOM 373 CA GLU A 27 -6.168 -7.443 8.711 1.00 0.00 C ATOM 374 C GLU A 27 -4.712 -7.793 8.393 1.00 0.00 C ATOM 375 O GLU A 27 -3.801 -7.368 9.100 1.00 0.00 O ATOM 376 CB GLU A 27 -6.913 -8.656 9.271 1.00 0.00 C ATOM 377 CG GLU A 27 -7.210 -8.477 10.761 1.00 0.00 C ATOM 378 CD GLU A 27 -8.646 -7.995 10.980 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.598 -8.684 10.583 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.755 -6.862 11.588 1.00 0.00 O ATOM 0 H GLU A 27 -7.609 -7.495 7.190 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.176 -6.667 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.846 -8.798 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.316 -9.555 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.056 -9.422 11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.512 -7.759 11.191 1.00 0.00 H new ATOM 386 N THR A 28 -4.541 -8.563 7.329 1.00 0.00 N ATOM 387 CA THR A 28 -3.213 -8.973 6.908 1.00 0.00 C ATOM 388 C THR A 28 -2.247 -7.789 6.959 1.00 0.00 C ATOM 389 O THR A 28 -1.162 -7.890 7.531 1.00 0.00 O ATOM 390 CB THR A 28 -3.329 -9.603 5.519 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.465 -10.735 5.577 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.718 -8.724 4.424 1.00 0.00 C ATOM 0 H THR A 28 -5.301 -8.914 6.746 1.00 0.00 H new ATOM 0 HA THR A 28 -2.798 -9.720 7.585 1.00 0.00 H new ATOM 0 HB THR A 28 -4.379 -9.789 5.292 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.481 -11.203 4.716 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.827 -9.217 3.458 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.231 -7.763 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.660 -8.565 4.633 1.00 0.00 H new ATOM 400 N LEU A 29 -2.675 -6.690 6.354 1.00 0.00 N ATOM 401 CA LEU A 29 -1.861 -5.486 6.323 1.00 0.00 C ATOM 402 C LEU A 29 -1.790 -4.890 7.730 1.00 0.00 C ATOM 403 O LEU A 29 -0.832 -4.192 8.063 1.00 0.00 O ATOM 404 CB LEU A 29 -2.387 -4.512 5.268 1.00 0.00 C ATOM 405 CG LEU A 29 -1.326 -3.757 4.463 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.171 -4.684 4.076 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.945 -3.073 3.243 1.00 0.00 C ATOM 0 H LEU A 29 -3.575 -6.608 5.881 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.840 -5.722 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.016 -5.067 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.027 -3.782 5.763 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.912 -2.972 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.569 -4.124 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.293 -5.084 4.978 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.552 -5.506 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.169 -2.544 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.403 -3.823 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.705 -2.363 3.570 1.00 0.00 H new ATOM 418 N LYS A 30 -2.814 -5.183 8.517 1.00 0.00 N ATOM 419 CA LYS A 30 -2.878 -4.684 9.879 1.00 0.00 C ATOM 420 C LYS A 30 -1.605 -5.086 10.627 1.00 0.00 C ATOM 421 O LYS A 30 -1.009 -4.270 11.328 1.00 0.00 O ATOM 422 CB LYS A 30 -4.165 -5.152 10.561 1.00 0.00 C ATOM 423 CG LYS A 30 -4.545 -4.220 11.714 1.00 0.00 C ATOM 424 CD LYS A 30 -3.729 -4.538 12.968 1.00 0.00 C ATOM 425 CE LYS A 30 -3.831 -6.021 13.328 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.760 -6.204 14.795 1.00 0.00 N ATOM 0 H LYS A 30 -3.607 -5.760 8.237 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.919 -3.595 9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.975 -5.185 9.833 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.033 -6.167 10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.377 -3.184 11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.608 -4.321 11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.685 -4.271 12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.086 -3.933 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.768 -6.430 12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.024 -6.574 12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.831 -7.216 15.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.855 -5.832 15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.544 -5.692 15.247 1.00 0.00 H new ATOM 435 N GLN A 31 -1.225 -6.343 10.449 1.00 0.00 N ATOM 436 CA GLN A 31 -0.033 -6.864 11.098 1.00 0.00 C ATOM 437 C GLN A 31 1.222 -6.361 10.382 1.00 0.00 C ATOM 438 O GLN A 31 2.233 -6.078 11.021 1.00 0.00 O ATOM 439 CB GLN A 31 -0.061 -8.393 11.150 1.00 0.00 C ATOM 440 CG GLN A 31 -0.348 -8.983 9.768 1.00 0.00 C ATOM 441 CD GLN A 31 -0.056 -10.485 9.743 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.026 -10.938 10.078 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.077 -11.229 9.327 1.00 0.00 N ATOM 0 H GLN A 31 -1.721 -7.016 9.865 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.012 -6.500 12.125 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.895 -8.766 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.824 -8.723 11.856 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.390 -8.807 9.503 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.262 -8.478 9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.956 -10.786 9.061 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.981 -12.243 9.274 1.00 0.00 H new ATOM 450 N LYS A 32 1.116 -6.268 9.065 1.00 0.00 N ATOM 451 CA LYS A 32 2.230 -5.806 8.255 1.00 0.00 C ATOM 452 C LYS A 32 2.611 -4.387 8.682 1.00 0.00 C ATOM 453 O LYS A 32 3.674 -3.888 8.314 1.00 0.00 O ATOM 454 CB LYS A 32 1.900 -5.932 6.767 1.00 0.00 C ATOM 455 CG LYS A 32 3.065 -5.446 5.903 1.00 0.00 C ATOM 456 CD LYS A 32 4.330 -6.263 6.177 1.00 0.00 C ATOM 457 CE LYS A 32 5.258 -6.262 4.961 1.00 0.00 C ATOM 458 NZ LYS A 32 6.286 -7.318 5.092 1.00 0.00 N ATOM 0 H LYS A 32 0.275 -6.505 8.538 1.00 0.00 H new ATOM 0 HA LYS A 32 3.105 -6.435 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.674 -6.971 6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.006 -5.351 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.798 -5.525 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.257 -4.392 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.854 -5.850 7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.058 -7.288 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.677 -6.423 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.739 -5.289 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.169 -7.000 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.458 -7.512 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.954 -8.186 4.624 1.00 0.00 H new ATOM 467 N VAL A 33 1.723 -3.776 9.452 1.00 0.00 N ATOM 468 CA VAL A 33 1.952 -2.424 9.933 1.00 0.00 C ATOM 469 C VAL A 33 3.084 -2.440 10.961 1.00 0.00 C ATOM 470 O VAL A 33 4.081 -1.735 10.803 1.00 0.00 O ATOM 471 CB VAL A 33 0.651 -1.837 10.485 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.842 -0.377 10.900 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.486 -1.974 9.469 1.00 0.00 C ATOM 0 H VAL A 33 0.843 -4.193 9.755 1.00 0.00 H new ATOM 0 HA VAL A 33 2.264 -1.775 9.115 1.00 0.00 H new ATOM 0 HB VAL A 33 0.377 -2.405 11.374 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.097 0.017 11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.609 -0.316 11.672 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.151 0.210 10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.399 -1.549 9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.223 -1.442 8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.646 -3.028 9.242 1.00 0.00 H new ATOM 483 N THR A 34 2.894 -3.249 11.992 1.00 0.00 N ATOM 484 CA THR A 34 3.887 -3.366 13.046 1.00 0.00 C ATOM 485 C THR A 34 5.246 -3.750 12.459 1.00 0.00 C ATOM 486 O THR A 34 6.279 -3.237 12.887 1.00 0.00 O ATOM 487 CB THR A 34 3.366 -4.366 14.079 1.00 0.00 C ATOM 488 OG1 THR A 34 4.535 -4.782 14.781 1.00 0.00 O ATOM 489 CG2 THR A 34 2.840 -5.651 13.437 1.00 0.00 C ATOM 0 H THR A 34 2.066 -3.831 12.120 1.00 0.00 H new ATOM 0 HA THR A 34 4.044 -2.411 13.548 1.00 0.00 H new ATOM 0 HB THR A 34 2.572 -3.902 14.665 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.288 -5.431 15.472 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.482 -6.326 14.214 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.020 -5.410 12.760 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.642 -6.133 12.878 1.00 0.00 H new ATOM 497 N GLN A 35 5.202 -4.650 11.487 1.00 0.00 N ATOM 498 CA GLN A 35 6.416 -5.110 10.838 1.00 0.00 C ATOM 499 C GLN A 35 7.148 -3.934 10.187 1.00 0.00 C ATOM 500 O GLN A 35 8.369 -3.822 10.294 1.00 0.00 O ATOM 501 CB GLN A 35 6.109 -6.200 9.809 1.00 0.00 C ATOM 502 CG GLN A 35 5.504 -7.433 10.481 1.00 0.00 C ATOM 503 CD GLN A 35 4.464 -8.097 9.576 1.00 0.00 C ATOM 504 OE1 GLN A 35 4.769 -8.619 8.516 1.00 0.00 O ATOM 505 NE2 GLN A 35 3.223 -8.048 10.052 1.00 0.00 N ATOM 0 H GLN A 35 4.343 -5.072 11.134 1.00 0.00 H new ATOM 0 HA GLN A 35 7.067 -5.545 11.596 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.418 -5.814 9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.023 -6.479 9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.293 -8.146 10.718 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.040 -7.146 11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.038 -7.595 10.947 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.457 -8.463 9.522 1.00 0.00 H new ATOM 512 N SER A 36 6.372 -3.086 9.528 1.00 0.00 N ATOM 513 CA SER A 36 6.931 -1.923 8.861 1.00 0.00 C ATOM 514 C SER A 36 7.265 -0.840 9.890 1.00 0.00 C ATOM 515 O SER A 36 8.118 0.012 9.644 1.00 0.00 O ATOM 516 CB SER A 36 5.965 -1.375 7.808 1.00 0.00 C ATOM 517 OG SER A 36 6.646 -0.958 6.626 1.00 0.00 O ATOM 0 H SER A 36 5.360 -3.182 9.442 1.00 0.00 H new ATOM 0 HA SER A 36 7.846 -2.227 8.353 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.233 -2.141 7.554 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.413 -0.533 8.225 1.00 0.00 H new ATOM 0 HG SER A 36 6.151 -0.225 6.204 1.00 0.00 H new ATOM 522 N LEU A 37 6.575 -0.908 11.019 1.00 0.00 N ATOM 523 CA LEU A 37 6.787 0.055 12.085 1.00 0.00 C ATOM 524 C LEU A 37 8.278 0.115 12.423 1.00 0.00 C ATOM 525 O LEU A 37 8.799 1.176 12.766 1.00 0.00 O ATOM 526 CB LEU A 37 5.897 -0.270 13.286 1.00 0.00 C ATOM 527 CG LEU A 37 4.859 0.790 13.658 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.439 2.199 13.519 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.579 0.615 12.839 1.00 0.00 C ATOM 0 H LEU A 37 5.868 -1.616 11.218 1.00 0.00 H new ATOM 0 HA LEU A 37 6.493 1.053 11.761 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.375 -1.205 13.084 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.537 -0.443 14.151 1.00 0.00 H new ATOM 0 HG LEU A 37 4.593 0.653 14.706 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.680 2.933 13.790 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.299 2.305 14.180 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.752 2.364 12.488 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.858 1.381 13.123 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.810 0.710 11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.156 -0.371 13.032 1.00 0.00 H new ATOM 540 N GLU A 38 8.923 -1.038 12.315 1.00 0.00 N ATOM 541 CA GLU A 38 10.344 -1.129 12.605 1.00 0.00 C ATOM 542 C GLU A 38 10.903 -2.464 12.105 1.00 0.00 C ATOM 543 O GLU A 38 11.132 -3.379 12.895 1.00 0.00 O ATOM 544 CB GLU A 38 10.611 -0.949 14.101 1.00 0.00 C ATOM 545 CG GLU A 38 10.830 0.526 14.444 1.00 0.00 C ATOM 546 CD GLU A 38 11.744 0.675 15.663 1.00 0.00 C ATOM 547 OE1 GLU A 38 12.490 -0.257 15.996 1.00 0.00 O ATOM 548 OE2 GLU A 38 11.660 1.810 16.272 1.00 0.00 O ATOM 0 H GLU A 38 8.488 -1.916 12.031 1.00 0.00 H new ATOM 0 HA GLU A 38 10.855 -0.323 12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.769 -1.338 14.674 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.488 -1.528 14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.270 1.040 13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.871 1.003 14.644 1.00 0.00 H new ATOM 554 N LYS A 39 11.106 -2.531 10.797 1.00 0.00 N ATOM 555 CA LYS A 39 11.633 -3.737 10.184 1.00 0.00 C ATOM 556 C LYS A 39 13.093 -3.922 10.603 1.00 0.00 C ATOM 557 O LYS A 39 13.497 -5.018 10.990 1.00 0.00 O ATOM 558 CB LYS A 39 11.429 -3.700 8.667 1.00 0.00 C ATOM 559 CG LYS A 39 11.920 -4.995 8.016 1.00 0.00 C ATOM 560 CD LYS A 39 12.752 -4.699 6.768 1.00 0.00 C ATOM 561 CE LYS A 39 13.873 -3.705 7.079 1.00 0.00 C ATOM 562 NZ LYS A 39 15.173 -4.220 6.596 1.00 0.00 N ATOM 0 H LYS A 39 10.915 -1.770 10.146 1.00 0.00 H new ATOM 0 HA LYS A 39 11.087 -4.612 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.373 -3.553 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.966 -2.850 8.245 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.518 -5.561 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.067 -5.619 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.179 -5.625 6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.109 -4.295 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.658 -2.746 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.922 -3.528 8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.850 -3.434 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.539 -4.925 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.046 -4.664 5.664 1.00 0.00 H new ATOM 571 N ASP A 40 13.843 -2.834 10.512 1.00 0.00 N ATOM 572 CA ASP A 40 15.249 -2.862 10.877 1.00 0.00 C ATOM 573 C ASP A 40 15.911 -1.552 10.444 1.00 0.00 C ATOM 574 O ASP A 40 15.876 -0.564 11.174 1.00 0.00 O ATOM 575 CB ASP A 40 15.977 -4.013 10.179 1.00 0.00 C ATOM 576 CG ASP A 40 16.000 -5.330 10.955 1.00 0.00 C ATOM 577 OD1 ASP A 40 15.663 -6.395 10.417 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.389 -5.233 12.182 1.00 0.00 O ATOM 0 H ASP A 40 13.504 -1.927 10.191 1.00 0.00 H new ATOM 0 HA ASP A 40 15.314 -2.996 11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.506 -4.187 9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.004 -3.707 9.983 1.00 0.00 H new ATOM 583 N ASP A 41 16.499 -1.588 9.257 1.00 0.00 N ATOM 584 CA ASP A 41 17.168 -0.415 8.717 1.00 0.00 C ATOM 585 C ASP A 41 16.124 0.534 8.125 1.00 0.00 C ATOM 586 O ASP A 41 15.323 1.116 8.856 1.00 0.00 O ATOM 587 CB ASP A 41 18.141 -0.801 7.603 1.00 0.00 C ATOM 588 CG ASP A 41 18.901 0.369 6.975 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.502 1.193 7.680 1.00 0.00 O ATOM 590 OD2 ASP A 41 18.861 0.416 5.686 1.00 0.00 O ATOM 0 H ASP A 41 16.526 -2.410 8.654 1.00 0.00 H new ATOM 0 HA ASP A 41 17.719 0.063 9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.864 -1.512 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.586 -1.317 6.819 1.00 0.00 H new ATOM 595 N ILE A 42 16.166 0.660 6.807 1.00 0.00 N ATOM 596 CA ILE A 42 15.234 1.529 6.108 1.00 0.00 C ATOM 597 C ILE A 42 14.932 0.940 4.728 1.00 0.00 C ATOM 598 O ILE A 42 15.638 1.221 3.762 1.00 0.00 O ATOM 599 CB ILE A 42 15.769 2.961 6.062 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.397 3.726 7.334 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.294 3.684 4.800 1.00 0.00 C ATOM 602 CD1 ILE A 42 13.911 3.570 7.654 1.00 0.00 C ATOM 0 H ILE A 42 16.831 0.175 6.204 1.00 0.00 H new ATOM 0 HA ILE A 42 14.287 1.584 6.646 1.00 0.00 H new ATOM 0 HB ILE A 42 16.857 2.917 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.993 3.360 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 42 15.637 4.782 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.689 4.700 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.650 3.150 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.205 3.718 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.674 4.124 8.563 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.318 3.960 6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.679 2.515 7.801 1.00 0.00 H new ATOM 613 N ARG A 43 13.881 0.135 4.681 1.00 0.00 N ATOM 614 CA ARG A 43 13.476 -0.495 3.436 1.00 0.00 C ATOM 615 C ARG A 43 12.480 0.395 2.690 1.00 0.00 C ATOM 616 O ARG A 43 12.339 1.576 3.006 1.00 0.00 O ATOM 617 CB ARG A 43 12.836 -1.861 3.693 1.00 0.00 C ATOM 618 CG ARG A 43 13.830 -2.992 3.420 1.00 0.00 C ATOM 619 CD ARG A 43 13.128 -4.202 2.800 1.00 0.00 C ATOM 620 NE ARG A 43 13.101 -5.322 3.767 1.00 0.00 N ATOM 621 CZ ARG A 43 14.067 -6.260 3.866 1.00 0.00 C ATOM 622 NH1 ARG A 43 15.146 -6.220 3.055 1.00 0.00 N ATOM 623 NH2 ARG A 43 13.940 -7.216 4.767 1.00 0.00 N ATOM 0 H ARG A 43 13.297 -0.096 5.485 1.00 0.00 H new ATOM 0 HA ARG A 43 14.370 -0.634 2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.491 -1.917 4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.959 -1.981 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.613 -2.639 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.316 -3.286 4.350 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.111 -3.935 2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.647 -4.508 1.891 1.00 0.00 H new ATOM 0 HE ARG A 43 12.303 -5.389 4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.235 -5.477 2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.872 -6.932 3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.121 -7.238 5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.660 -7.933 4.855 1.00 0.00 H new ATOM 633 N HIS A 44 11.815 -0.205 1.714 1.00 0.00 N ATOM 634 CA HIS A 44 10.836 0.518 0.920 1.00 0.00 C ATOM 635 C HIS A 44 9.573 -0.330 0.765 1.00 0.00 C ATOM 636 O HIS A 44 9.618 -1.551 0.913 1.00 0.00 O ATOM 637 CB HIS A 44 11.433 0.943 -0.423 1.00 0.00 C ATOM 638 CG HIS A 44 12.597 1.897 -0.303 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.484 3.149 0.280 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.897 1.772 -0.695 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.669 3.740 0.233 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.544 2.885 -0.371 1.00 0.00 N ATOM 0 H HIS A 44 11.935 -1.184 1.455 1.00 0.00 H new ATOM 0 HA HIS A 44 10.554 1.437 1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.760 0.053 -0.962 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.653 1.411 -1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.328 0.912 -1.186 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.902 4.726 0.607 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.532 3.070 -0.545 1.00 0.00 H new ATOM 649 N ILE A 45 8.474 0.349 0.470 1.00 0.00 N ATOM 650 CA ILE A 45 7.201 -0.327 0.293 1.00 0.00 C ATOM 651 C ILE A 45 6.876 -0.411 -1.200 1.00 0.00 C ATOM 652 O ILE A 45 7.406 0.359 -1.999 1.00 0.00 O ATOM 653 CB ILE A 45 6.112 0.357 1.122 1.00 0.00 C ATOM 654 CG1 ILE A 45 6.012 1.843 0.775 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.338 0.130 2.617 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.541 2.115 -0.634 1.00 0.00 C ATOM 0 H ILE A 45 8.439 1.361 0.349 1.00 0.00 H new ATOM 0 HA ILE A 45 7.258 -1.350 0.665 1.00 0.00 H new ATOM 0 HB ILE A 45 5.154 -0.097 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.974 2.167 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.579 2.428 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.550 0.627 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.319 -0.939 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.306 0.540 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.458 3.179 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.586 1.812 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.956 1.548 -1.358 1.00 0.00 H new ATOM 667 N VAL A 46 6.005 -1.353 -1.532 1.00 0.00 N ATOM 668 CA VAL A 46 5.603 -1.548 -2.914 1.00 0.00 C ATOM 669 C VAL A 46 4.274 -2.305 -2.952 1.00 0.00 C ATOM 670 O VAL A 46 4.254 -3.521 -3.139 1.00 0.00 O ATOM 671 CB VAL A 46 6.717 -2.256 -3.688 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.137 -3.216 -4.728 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.659 -1.242 -4.342 1.00 0.00 C ATOM 0 H VAL A 46 5.566 -1.990 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 46 5.444 -0.588 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 46 7.298 -2.844 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.950 -3.706 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.526 -3.968 -4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.521 -2.659 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.442 -1.771 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.096 -0.616 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.111 -0.616 -3.572 1.00 0.00 H new ATOM 683 N LEU A 47 3.197 -1.556 -2.774 1.00 0.00 N ATOM 684 CA LEU A 47 1.867 -2.141 -2.785 1.00 0.00 C ATOM 685 C LEU A 47 1.389 -2.282 -4.232 1.00 0.00 C ATOM 686 O LEU A 47 1.805 -1.520 -5.104 1.00 0.00 O ATOM 687 CB LEU A 47 0.917 -1.331 -1.901 1.00 0.00 C ATOM 688 CG LEU A 47 1.025 -1.583 -0.395 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.470 -1.880 0.009 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.436 -0.416 0.400 1.00 0.00 C ATOM 0 H LEU A 47 3.218 -0.548 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 47 1.888 -3.143 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.095 -0.272 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.106 -1.542 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 47 0.435 -2.467 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.519 -2.055 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.821 -2.767 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.102 -1.030 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.525 -0.621 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.978 0.499 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.616 -0.293 0.141 1.00 0.00 H new ATOM 701 N ASN A 48 0.522 -3.261 -4.443 1.00 0.00 N ATOM 702 CA ASN A 48 -0.017 -3.512 -5.769 1.00 0.00 C ATOM 703 C ASN A 48 -1.017 -4.668 -5.698 1.00 0.00 C ATOM 704 O ASN A 48 -0.627 -5.821 -5.525 1.00 0.00 O ATOM 705 CB ASN A 48 1.092 -3.904 -6.748 1.00 0.00 C ATOM 706 CG ASN A 48 0.529 -4.714 -7.917 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.132 -5.658 -8.400 1.00 0.00 O ATOM 708 ND2 ASN A 48 -0.660 -4.295 -8.344 1.00 0.00 N ATOM 0 H ASN A 48 0.179 -3.890 -3.717 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.499 -2.598 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.583 -3.007 -7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.851 -4.488 -6.228 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.120 -4.771 -9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.111 -3.498 -7.895 1.00 0.00 H new ATOM 714 N LEU A 49 -2.287 -4.318 -5.838 1.00 0.00 N ATOM 715 CA LEU A 49 -3.345 -5.313 -5.792 1.00 0.00 C ATOM 716 C LEU A 49 -3.922 -5.502 -7.196 1.00 0.00 C ATOM 717 O LEU A 49 -4.442 -4.559 -7.790 1.00 0.00 O ATOM 718 CB LEU A 49 -4.392 -4.932 -4.744 1.00 0.00 C ATOM 719 CG LEU A 49 -5.807 -4.676 -5.270 1.00 0.00 C ATOM 720 CD1 LEU A 49 -6.860 -5.175 -4.278 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.002 -3.199 -5.619 1.00 0.00 C ATOM 0 H LEU A 49 -2.607 -3.360 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.948 -6.278 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.440 -5.729 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.050 -4.035 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.938 -5.245 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.856 -4.981 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.734 -6.246 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.741 -4.654 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.015 -3.044 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.845 -2.591 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.285 -2.909 -6.388 1.00 0.00 H new ATOM 732 N GLU A 50 -3.811 -6.728 -7.686 1.00 0.00 N ATOM 733 CA GLU A 50 -4.315 -7.053 -9.010 1.00 0.00 C ATOM 734 C GLU A 50 -5.707 -7.679 -8.909 1.00 0.00 C ATOM 735 O GLU A 50 -6.465 -7.675 -9.878 1.00 0.00 O ATOM 736 CB GLU A 50 -3.350 -7.979 -9.752 1.00 0.00 C ATOM 737 CG GLU A 50 -2.924 -7.370 -11.090 1.00 0.00 C ATOM 738 CD GLU A 50 -1.416 -7.524 -11.307 1.00 0.00 C ATOM 739 OE1 GLU A 50 -0.620 -7.020 -10.503 1.00 0.00 O ATOM 740 OE2 GLU A 50 -1.084 -8.197 -12.356 1.00 0.00 O ATOM 0 H GLU A 50 -3.380 -7.508 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.394 -6.130 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.470 -8.162 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.826 -8.944 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.464 -7.856 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.193 -6.314 -11.115 1.00 0.00 H new ATOM 746 N ASP A 51 -6.001 -8.203 -7.728 1.00 0.00 N ATOM 747 CA ASP A 51 -7.289 -8.833 -7.487 1.00 0.00 C ATOM 748 C ASP A 51 -8.167 -7.888 -6.667 1.00 0.00 C ATOM 749 O ASP A 51 -8.471 -8.167 -5.508 1.00 0.00 O ATOM 750 CB ASP A 51 -7.127 -10.134 -6.699 1.00 0.00 C ATOM 751 CG ASP A 51 -8.437 -10.799 -6.274 1.00 0.00 C ATOM 752 OD1 ASP A 51 -8.448 -11.943 -5.797 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.495 -10.083 -6.452 1.00 0.00 O ATOM 0 H ASP A 51 -5.369 -8.204 -6.927 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.744 -9.052 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.558 -10.840 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.535 -9.930 -5.807 1.00 0.00 H new ATOM 758 N LEU A 52 -8.551 -6.788 -7.299 1.00 0.00 N ATOM 759 CA LEU A 52 -9.389 -5.801 -6.641 1.00 0.00 C ATOM 760 C LEU A 52 -10.856 -6.076 -6.977 1.00 0.00 C ATOM 761 O LEU A 52 -11.229 -6.129 -8.149 1.00 0.00 O ATOM 762 CB LEU A 52 -8.932 -4.385 -6.999 1.00 0.00 C ATOM 763 CG LEU A 52 -9.841 -3.247 -6.531 1.00 0.00 C ATOM 764 CD1 LEU A 52 -11.263 -3.425 -7.067 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.815 -3.118 -5.006 1.00 0.00 C ATOM 0 H LEU A 52 -8.297 -6.559 -8.260 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.290 -5.880 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.940 -4.227 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.831 -4.320 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.458 -2.312 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.888 -2.603 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.243 -3.430 -8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.672 -4.369 -6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.469 -2.302 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.160 -4.049 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.797 -2.911 -4.676 1.00 0.00 H new ATOM 776 N SER A 53 -11.649 -6.246 -5.931 1.00 0.00 N ATOM 777 CA SER A 53 -13.066 -6.516 -6.101 1.00 0.00 C ATOM 778 C SER A 53 -13.884 -5.630 -5.158 1.00 0.00 C ATOM 779 O SER A 53 -14.296 -4.533 -5.532 1.00 0.00 O ATOM 780 CB SER A 53 -13.381 -7.992 -5.848 1.00 0.00 C ATOM 781 OG SER A 53 -14.668 -8.171 -5.262 1.00 0.00 O ATOM 0 H SER A 53 -11.337 -6.202 -4.961 1.00 0.00 H new ATOM 0 HA SER A 53 -13.336 -6.287 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.332 -8.540 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.622 -8.417 -5.192 1.00 0.00 H new ATOM 0 HG SER A 53 -14.832 -9.126 -5.118 1.00 0.00 H new ATOM 786 N PHE A 54 -14.096 -6.140 -3.953 1.00 0.00 N ATOM 787 CA PHE A 54 -14.858 -5.409 -2.955 1.00 0.00 C ATOM 788 C PHE A 54 -14.144 -4.115 -2.560 1.00 0.00 C ATOM 789 O PHE A 54 -14.674 -3.023 -2.759 1.00 0.00 O ATOM 790 CB PHE A 54 -14.967 -6.313 -1.726 1.00 0.00 C ATOM 791 CG PHE A 54 -15.573 -5.627 -0.500 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.271 -4.468 -0.645 1.00 0.00 C ATOM 793 CD2 PHE A 54 -15.414 -6.174 0.735 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.833 -3.831 0.492 1.00 0.00 C ATOM 795 CE2 PHE A 54 -15.976 -5.537 1.872 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.674 -4.378 1.727 1.00 0.00 C ATOM 0 H PHE A 54 -13.753 -7.050 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.837 -5.145 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.574 -7.182 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.974 -6.681 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.397 -4.033 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.860 -7.094 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.387 -2.911 0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.850 -5.972 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 54 -17.101 -3.893 2.592 1.00 0.00 H new ATOM 805 N MET A 55 -12.951 -4.280 -2.006 1.00 0.00 N ATOM 806 CA MET A 55 -12.158 -3.139 -1.582 1.00 0.00 C ATOM 807 C MET A 55 -13.034 -2.087 -0.898 1.00 0.00 C ATOM 808 O MET A 55 -13.672 -1.276 -1.567 1.00 0.00 O ATOM 809 CB MET A 55 -11.467 -2.516 -2.796 1.00 0.00 C ATOM 810 CG MET A 55 -11.720 -1.009 -2.858 1.00 0.00 C ATOM 811 SD MET A 55 -13.247 -0.680 -3.722 1.00 0.00 S ATOM 812 CE MET A 55 -13.228 -2.016 -4.905 1.00 0.00 C ATOM 0 H MET A 55 -12.515 -5.187 -1.841 1.00 0.00 H new ATOM 0 HA MET A 55 -11.412 -3.485 -0.867 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.395 -2.706 -2.746 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.832 -2.987 -3.708 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.768 -0.598 -1.849 1.00 0.00 H new ATOM 0 HG3 MET A 55 -10.892 -0.514 -3.365 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.892 -1.776 -5.736 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.214 -2.156 -5.279 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.567 -2.933 -4.423 1.00 0.00 H new ATOM 820 N ASP A 56 -13.037 -2.136 0.426 1.00 0.00 N ATOM 821 CA ASP A 56 -13.825 -1.197 1.208 1.00 0.00 C ATOM 822 C ASP A 56 -12.884 -0.260 1.970 1.00 0.00 C ATOM 823 O ASP A 56 -11.672 -0.467 1.982 1.00 0.00 O ATOM 824 CB ASP A 56 -14.696 -1.928 2.230 1.00 0.00 C ATOM 825 CG ASP A 56 -15.417 -1.021 3.230 1.00 0.00 C ATOM 826 OD1 ASP A 56 -14.868 -0.668 4.284 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.610 -0.671 2.886 1.00 0.00 O ATOM 0 H ASP A 56 -12.507 -2.811 0.977 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.464 -0.639 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.440 -2.518 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.071 -2.629 2.783 1.00 0.00 H new ATOM 832 N SER A 57 -13.480 0.749 2.587 1.00 0.00 N ATOM 833 CA SER A 57 -12.711 1.718 3.350 1.00 0.00 C ATOM 834 C SER A 57 -12.136 1.059 4.605 1.00 0.00 C ATOM 835 O SER A 57 -11.395 1.688 5.358 1.00 0.00 O ATOM 836 CB SER A 57 -13.570 2.926 3.731 1.00 0.00 C ATOM 837 OG SER A 57 -12.788 4.103 3.905 1.00 0.00 O ATOM 0 H SER A 57 -14.486 0.917 2.574 1.00 0.00 H new ATOM 0 HA SER A 57 -11.891 2.072 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.317 3.098 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.110 2.710 4.653 1.00 0.00 H new ATOM 0 HG SER A 57 -13.373 4.852 4.146 1.00 0.00 H new ATOM 842 N SER A 58 -12.500 -0.202 4.792 1.00 0.00 N ATOM 843 CA SER A 58 -12.030 -0.954 5.943 1.00 0.00 C ATOM 844 C SER A 58 -10.500 -0.967 5.970 1.00 0.00 C ATOM 845 O SER A 58 -9.892 -0.767 7.020 1.00 0.00 O ATOM 846 CB SER A 58 -12.573 -2.384 5.926 1.00 0.00 C ATOM 847 OG SER A 58 -13.965 -2.423 5.621 1.00 0.00 O ATOM 0 H SER A 58 -13.115 -0.721 4.165 1.00 0.00 H new ATOM 0 HA SER A 58 -12.399 -0.465 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.024 -2.972 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.401 -2.849 6.897 1.00 0.00 H new ATOM 0 HG SER A 58 -14.310 -1.509 5.548 1.00 0.00 H new ATOM 852 N GLY A 59 -9.922 -1.205 4.802 1.00 0.00 N ATOM 853 CA GLY A 59 -8.475 -1.247 4.678 1.00 0.00 C ATOM 854 C GLY A 59 -7.906 0.149 4.420 1.00 0.00 C ATOM 855 O GLY A 59 -6.691 0.341 4.433 1.00 0.00 O ATOM 0 H GLY A 59 -10.430 -1.371 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.040 -1.658 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.196 -1.914 3.862 1.00 0.00 H new ATOM 859 N LEU A 60 -8.811 1.090 4.190 1.00 0.00 N ATOM 860 CA LEU A 60 -8.415 2.463 3.929 1.00 0.00 C ATOM 861 C LEU A 60 -7.437 2.922 5.014 1.00 0.00 C ATOM 862 O LEU A 60 -6.431 3.563 4.716 1.00 0.00 O ATOM 863 CB LEU A 60 -9.647 3.359 3.792 1.00 0.00 C ATOM 864 CG LEU A 60 -9.615 4.371 2.645 1.00 0.00 C ATOM 865 CD1 LEU A 60 -8.924 5.667 3.075 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.969 3.766 1.396 1.00 0.00 C ATOM 0 H LEU A 60 -9.818 0.928 4.179 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.891 2.534 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.523 2.722 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.782 3.903 4.727 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.643 4.624 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.915 6.369 2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.464 6.107 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.900 5.450 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.959 4.507 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.947 3.465 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.541 2.895 1.077 1.00 0.00 H new ATOM 877 N GLY A 61 -7.768 2.574 6.248 1.00 0.00 N ATOM 878 CA GLY A 61 -6.933 2.943 7.379 1.00 0.00 C ATOM 879 C GLY A 61 -5.743 1.990 7.514 1.00 0.00 C ATOM 880 O GLY A 61 -4.660 2.399 7.929 1.00 0.00 O ATOM 0 H GLY A 61 -8.603 2.040 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.574 3.964 7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.525 2.924 8.294 1.00 0.00 H new ATOM 884 N VAL A 62 -5.985 0.738 7.157 1.00 0.00 N ATOM 885 CA VAL A 62 -4.948 -0.277 7.235 1.00 0.00 C ATOM 886 C VAL A 62 -3.834 0.064 6.242 1.00 0.00 C ATOM 887 O VAL A 62 -2.688 -0.347 6.425 1.00 0.00 O ATOM 888 CB VAL A 62 -5.553 -1.663 7.003 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.206 -2.186 5.607 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.101 -2.646 8.085 1.00 0.00 C ATOM 0 H VAL A 62 -6.885 0.403 6.813 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.504 -0.295 8.230 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.637 -1.571 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.648 -3.173 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.599 -1.503 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.123 -2.256 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.545 -3.624 7.897 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.014 -2.732 8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.421 -2.284 9.062 1.00 0.00 H new ATOM 900 N ILE A 63 -4.208 0.809 5.213 1.00 0.00 N ATOM 901 CA ILE A 63 -3.256 1.208 4.192 1.00 0.00 C ATOM 902 C ILE A 63 -2.590 2.523 4.607 1.00 0.00 C ATOM 903 O ILE A 63 -1.411 2.739 4.334 1.00 0.00 O ATOM 904 CB ILE A 63 -3.933 1.268 2.821 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.899 -0.098 2.133 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.314 2.364 1.952 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.298 -0.710 2.060 1.00 0.00 C ATOM 0 H ILE A 63 -5.159 1.147 5.065 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.465 0.464 4.099 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.981 1.528 2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.491 0.007 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.233 -0.767 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.813 2.385 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.434 3.329 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.253 2.159 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.245 -1.680 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.693 -0.837 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.955 -0.050 1.493 1.00 0.00 H new ATOM 918 N LEU A 64 -3.376 3.366 5.261 1.00 0.00 N ATOM 919 CA LEU A 64 -2.878 4.652 5.716 1.00 0.00 C ATOM 920 C LEU A 64 -1.766 4.430 6.742 1.00 0.00 C ATOM 921 O LEU A 64 -0.745 5.115 6.714 1.00 0.00 O ATOM 922 CB LEU A 64 -4.028 5.519 6.234 1.00 0.00 C ATOM 923 CG LEU A 64 -3.857 7.031 6.068 1.00 0.00 C ATOM 924 CD1 LEU A 64 -2.535 7.358 5.371 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.055 7.642 5.340 1.00 0.00 C ATOM 0 H LEU A 64 -4.354 3.183 5.486 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.440 5.206 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.942 5.219 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.170 5.304 7.293 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.820 7.482 7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.437 8.438 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.706 6.975 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.519 6.894 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.908 8.717 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.149 7.191 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.963 7.454 5.913 1.00 0.00 H new ATOM 936 N GLY A 65 -2.002 3.469 7.625 1.00 0.00 N ATOM 937 CA GLY A 65 -1.032 3.148 8.658 1.00 0.00 C ATOM 938 C GLY A 65 0.335 2.834 8.048 1.00 0.00 C ATOM 939 O GLY A 65 1.369 3.138 8.643 1.00 0.00 O ATOM 0 H GLY A 65 -2.850 2.903 7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.942 3.985 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.381 2.293 9.237 1.00 0.00 H new ATOM 943 N ARG A 66 0.298 2.232 6.870 1.00 0.00 N ATOM 944 CA ARG A 66 1.522 1.874 6.172 1.00 0.00 C ATOM 945 C ARG A 66 2.230 3.131 5.664 1.00 0.00 C ATOM 946 O ARG A 66 3.450 3.248 5.775 1.00 0.00 O ATOM 947 CB ARG A 66 1.232 0.947 4.991 1.00 0.00 C ATOM 948 CG ARG A 66 1.958 -0.390 5.149 1.00 0.00 C ATOM 949 CD ARG A 66 3.460 -0.230 4.905 1.00 0.00 C ATOM 950 NE ARG A 66 3.832 -0.848 3.612 1.00 0.00 N ATOM 951 CZ ARG A 66 4.111 -2.158 3.453 1.00 0.00 C ATOM 952 NH1 ARG A 66 4.066 -3.003 4.505 1.00 0.00 N ATOM 953 NH2 ARG A 66 4.432 -2.602 2.251 1.00 0.00 N ATOM 0 H ARG A 66 -0.561 1.982 6.380 1.00 0.00 H new ATOM 0 HA ARG A 66 2.166 1.351 6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.158 0.775 4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.544 1.426 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.789 -0.784 6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.547 -1.116 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.726 0.827 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.020 -0.697 5.715 1.00 0.00 H new ATOM 0 HE ARG A 66 3.880 -0.246 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.819 -2.652 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.279 -3.992 4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.466 -1.957 1.461 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.646 -3.590 2.113 1.00 0.00 H new ATOM 963 N TYR A 67 1.436 4.040 5.118 1.00 0.00 N ATOM 964 CA TYR A 67 1.972 5.283 4.594 1.00 0.00 C ATOM 965 C TYR A 67 2.813 6.006 5.648 1.00 0.00 C ATOM 966 O TYR A 67 3.913 6.474 5.355 1.00 0.00 O ATOM 967 CB TYR A 67 0.760 6.150 4.242 1.00 0.00 C ATOM 968 CG TYR A 67 0.967 7.041 3.017 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.748 6.536 1.750 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.373 8.351 3.176 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.942 7.376 0.597 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.567 9.190 2.022 1.00 0.00 C ATOM 973 CZ TYR A 67 1.342 8.661 0.789 1.00 0.00 C ATOM 974 OH TYR A 67 1.525 9.453 -0.301 1.00 0.00 O ATOM 0 H TYR A 67 0.425 3.940 5.027 1.00 0.00 H new ATOM 0 HA TYR A 67 2.613 5.092 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.099 5.502 4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.515 6.778 5.098 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.431 5.511 1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.545 8.747 4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.773 6.994 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.884 10.216 2.133 1.00 0.00 H new ATOM 0 HH TYR A 67 0.936 10.234 -0.241 1.00 0.00 H new ATOM 983 N LYS A 68 2.263 6.076 6.851 1.00 0.00 N ATOM 984 CA LYS A 68 2.949 6.734 7.950 1.00 0.00 C ATOM 985 C LYS A 68 3.817 5.713 8.688 1.00 0.00 C ATOM 986 O LYS A 68 4.124 5.890 9.866 1.00 0.00 O ATOM 987 CB LYS A 68 1.946 7.455 8.852 1.00 0.00 C ATOM 988 CG LYS A 68 0.749 7.961 8.046 1.00 0.00 C ATOM 989 CD LYS A 68 1.178 9.023 7.032 1.00 0.00 C ATOM 990 CE LYS A 68 1.294 10.398 7.694 1.00 0.00 C ATOM 991 NZ LYS A 68 0.053 10.724 8.431 1.00 0.00 N ATOM 0 H LYS A 68 1.350 5.688 7.089 1.00 0.00 H new ATOM 0 HA LYS A 68 3.618 7.508 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.602 6.778 9.634 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.435 8.293 9.349 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.278 7.127 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.002 8.379 8.721 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.136 8.745 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.454 9.067 6.218 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.143 10.409 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.485 11.158 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.161 11.736 8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.734 10.160 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.181 10.505 9.440 1.00 0.00 H new ATOM 1000 N GLN A 69 4.188 4.667 7.966 1.00 0.00 N ATOM 1001 CA GLN A 69 5.015 3.617 8.537 1.00 0.00 C ATOM 1002 C GLN A 69 6.345 3.519 7.785 1.00 0.00 C ATOM 1003 O GLN A 69 7.394 3.324 8.396 1.00 0.00 O ATOM 1004 CB GLN A 69 4.280 2.275 8.528 1.00 0.00 C ATOM 1005 CG GLN A 69 4.081 1.750 9.951 1.00 0.00 C ATOM 1006 CD GLN A 69 3.362 2.783 10.822 1.00 0.00 C ATOM 1007 OE1 GLN A 69 3.950 3.726 11.324 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.061 2.552 10.971 1.00 0.00 N ATOM 0 H GLN A 69 3.931 4.523 6.989 1.00 0.00 H new ATOM 0 HA GLN A 69 5.226 3.872 9.576 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.312 2.390 8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.847 1.550 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.503 0.826 9.924 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.048 1.508 10.392 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.632 1.743 10.522 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.492 3.184 11.534 1.00 0.00 H new ATOM 1090 N GLY A 75 11.644 6.202 4.807 1.00 0.00 N ATOM 1091 CA GLY A 75 11.670 5.628 3.472 1.00 0.00 C ATOM 1092 C GLY A 75 10.646 6.309 2.563 1.00 0.00 C ATOM 1093 O GLY A 75 10.486 7.528 2.607 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.668 5.734 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.459 4.560 3.527 1.00 0.00 H new ATOM 1097 N GLU A 76 9.979 5.494 1.759 1.00 0.00 N ATOM 1098 CA GLU A 76 8.976 6.003 0.841 1.00 0.00 C ATOM 1099 C GLU A 76 7.760 5.076 0.815 1.00 0.00 C ATOM 1100 O GLU A 76 7.896 3.863 0.969 1.00 0.00 O ATOM 1101 CB GLU A 76 9.558 6.183 -0.564 1.00 0.00 C ATOM 1102 CG GLU A 76 11.061 6.465 -0.501 1.00 0.00 C ATOM 1103 CD GLU A 76 11.339 7.807 0.176 1.00 0.00 C ATOM 1104 OE1 GLU A 76 12.392 7.977 0.808 1.00 0.00 O ATOM 1105 OE2 GLU A 76 10.415 8.695 0.027 1.00 0.00 O ATOM 0 H GLU A 76 10.114 4.484 1.725 1.00 0.00 H new ATOM 0 HA GLU A 76 8.654 6.983 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.377 5.285 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.051 7.005 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.562 5.667 0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.476 6.469 -1.509 1.00 0.00 H new ATOM 1111 N MET A 77 6.598 5.681 0.620 1.00 0.00 N ATOM 1112 CA MET A 77 5.358 4.925 0.573 1.00 0.00 C ATOM 1113 C MET A 77 4.657 5.105 -0.774 1.00 0.00 C ATOM 1114 O MET A 77 4.356 6.228 -1.177 1.00 0.00 O ATOM 1115 CB MET A 77 4.432 5.392 1.697 1.00 0.00 C ATOM 1116 CG MET A 77 3.645 6.635 1.278 1.00 0.00 C ATOM 1117 SD MET A 77 4.765 7.987 0.956 1.00 0.00 S ATOM 1118 CE MET A 77 4.013 8.670 -0.512 1.00 0.00 C ATOM 0 H MET A 77 6.489 6.687 0.493 1.00 0.00 H new ATOM 0 HA MET A 77 5.594 3.868 0.700 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.741 4.591 1.960 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.019 5.612 2.589 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.056 6.419 0.386 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.943 6.913 2.064 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.732 8.651 -1.331 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.139 8.078 -0.782 1.00 0.00 H new ATOM 0 HE3 MET A 77 3.709 9.699 -0.320 1.00 0.00 H new ATOM 1126 N VAL A 78 4.416 3.982 -1.436 1.00 0.00 N ATOM 1127 CA VAL A 78 3.755 4.002 -2.729 1.00 0.00 C ATOM 1128 C VAL A 78 2.645 2.949 -2.746 1.00 0.00 C ATOM 1129 O VAL A 78 2.689 1.983 -1.987 1.00 0.00 O ATOM 1130 CB VAL A 78 4.784 3.805 -3.844 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.226 4.267 -5.193 1.00 0.00 C ATOM 1132 CG2 VAL A 78 6.093 4.525 -3.517 1.00 0.00 C ATOM 0 H VAL A 78 4.667 3.052 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 78 3.286 4.970 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 78 4.998 2.739 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.977 4.116 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.334 3.689 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.969 5.325 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.806 4.368 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.903 5.592 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.504 4.128 -2.589 1.00 0.00 H new ATOM 1142 N VAL A 79 1.676 3.172 -3.622 1.00 0.00 N ATOM 1143 CA VAL A 79 0.557 2.255 -3.748 1.00 0.00 C ATOM 1144 C VAL A 79 -0.080 2.421 -5.130 1.00 0.00 C ATOM 1145 O VAL A 79 -0.361 3.540 -5.557 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.434 2.476 -2.603 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.019 3.889 -2.650 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.542 1.423 -2.625 1.00 0.00 C ATOM 0 H VAL A 79 1.643 3.974 -4.251 1.00 0.00 H new ATOM 0 HA VAL A 79 0.899 1.223 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 79 0.110 2.369 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.720 4.020 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.214 4.619 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.540 4.036 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.232 1.604 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.082 1.483 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.103 0.431 -2.520 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.290 1.291 -5.789 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.889 1.297 -7.113 1.00 0.00 C ATOM 1160 C CYS A 80 -2.026 0.275 -7.131 1.00 0.00 C ATOM 1161 O CYS A 80 -2.396 -0.265 -6.090 1.00 0.00 O ATOM 1162 CB CYS A 80 0.148 1.018 -8.204 1.00 0.00 C ATOM 1163 SG CYS A 80 0.716 -0.719 -8.096 1.00 0.00 S ATOM 0 H CYS A 80 -0.056 0.365 -5.431 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.290 2.287 -7.329 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.285 1.208 -9.186 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.996 1.694 -8.093 1.00 0.00 H new ATOM 0 HG CYS A 80 1.114 -0.971 -6.884 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.549 0.041 -8.325 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.637 -0.908 -8.493 1.00 0.00 C ATOM 1170 C ALA A 81 -4.921 -0.313 -7.910 1.00 0.00 C ATOM 1171 O ALA A 81 -5.368 -0.722 -6.839 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.261 -2.238 -7.837 1.00 0.00 C ATOM 0 H ALA A 81 -2.240 0.492 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.815 -1.105 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.077 -2.949 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.360 -2.633 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.078 -2.081 -6.774 1.00 0.00 H new ATOM 1178 N ILE A 82 -5.477 0.642 -8.640 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.700 1.298 -8.208 1.00 0.00 C ATOM 1180 C ILE A 82 -7.830 0.947 -9.177 1.00 0.00 C ATOM 1181 O ILE A 82 -7.886 -0.168 -9.694 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.473 2.803 -8.047 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.472 3.405 -7.057 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.511 3.511 -9.402 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.952 3.302 -5.622 1.00 0.00 C ATOM 0 H ILE A 82 -5.104 0.978 -9.528 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.999 0.937 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.477 2.956 -7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.653 4.450 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.428 2.887 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.347 4.579 -9.259 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.730 3.107 -10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.483 3.352 -9.868 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.681 3.737 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.795 2.254 -5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.009 3.841 -5.537 1.00 0.00 H new ATOM 1196 N SER A 83 -8.704 1.919 -9.394 1.00 0.00 N ATOM 1197 CA SER A 83 -9.831 1.726 -10.291 1.00 0.00 C ATOM 1198 C SER A 83 -10.751 2.947 -10.245 1.00 0.00 C ATOM 1199 O SER A 83 -10.631 3.787 -9.354 1.00 0.00 O ATOM 1200 CB SER A 83 -10.611 0.460 -9.932 1.00 0.00 C ATOM 1201 OG SER A 83 -11.999 0.722 -9.749 1.00 0.00 O ATOM 0 H SER A 83 -8.654 2.843 -8.964 1.00 0.00 H new ATOM 0 HA SER A 83 -9.445 1.607 -11.304 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.483 -0.281 -10.721 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.200 0.028 -9.020 1.00 0.00 H new ATOM 0 HG SER A 83 -12.462 -0.111 -9.523 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.674 3.010 -11.243 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.614 4.113 -11.325 1.00 0.00 C ATOM 1208 C PRO A 84 -13.713 3.978 -10.269 1.00 0.00 C ATOM 1209 O PRO A 84 -14.615 4.810 -10.196 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.148 4.071 -12.747 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.842 2.676 -13.265 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.845 2.033 -12.315 1.00 0.00 C ATOM 0 HA PRO A 84 -12.149 5.077 -11.117 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.220 4.269 -12.768 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.671 4.831 -13.366 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.754 2.081 -13.321 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -12.431 2.725 -14.273 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.219 1.084 -11.931 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.899 1.824 -12.815 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.602 2.920 -9.478 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.575 2.664 -8.430 1.00 0.00 C ATOM 1219 C ALA A 85 -13.842 2.304 -7.136 1.00 0.00 C ATOM 1220 O ALA A 85 -14.407 1.655 -6.258 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.534 1.562 -8.882 1.00 0.00 C ATOM 0 H ALA A 85 -12.853 2.231 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.171 3.555 -8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.264 1.370 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -16.051 1.879 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.971 0.651 -9.085 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.593 2.743 -7.059 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.777 2.475 -5.887 1.00 0.00 C ATOM 1229 C VAL A 86 -11.041 3.753 -5.481 1.00 0.00 C ATOM 1230 O VAL A 86 -10.858 4.018 -4.294 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.833 1.304 -6.163 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.659 1.302 -5.183 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.585 -0.029 -6.120 1.00 0.00 C ATOM 0 H VAL A 86 -12.127 3.282 -7.789 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.403 2.179 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.430 1.430 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.004 0.459 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.100 2.232 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.036 1.214 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.891 -0.845 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.030 -0.164 -5.134 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.371 -0.028 -6.876 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.638 4.511 -6.490 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.925 5.756 -6.253 1.00 0.00 C ATOM 1245 C LYS A 87 -10.907 6.810 -5.738 1.00 0.00 C ATOM 1246 O LYS A 87 -10.496 7.885 -5.303 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.164 6.184 -7.509 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.799 7.426 -8.138 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.042 7.852 -9.396 1.00 0.00 C ATOM 1250 CE LYS A 87 -8.213 9.112 -9.137 1.00 0.00 C ATOM 1251 NZ LYS A 87 -7.568 9.574 -10.387 1.00 0.00 N ATOM 0 H LYS A 87 -10.791 4.288 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.168 5.622 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.124 6.391 -7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.159 5.368 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.840 7.219 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.801 8.243 -7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.388 7.043 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.749 8.037 -10.205 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.852 9.900 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.453 8.906 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.009 10.430 -10.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.943 8.827 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.298 9.790 -11.095 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.184 6.466 -5.805 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.227 7.370 -5.351 1.00 0.00 C ATOM 1262 C ARG A 88 -13.202 7.487 -3.826 1.00 0.00 C ATOM 1263 O ARG A 88 -13.631 8.496 -3.270 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.609 6.885 -5.796 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.170 5.853 -4.816 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.483 4.497 -4.994 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.475 3.406 -4.860 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.195 3.172 -3.742 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.038 3.950 -2.650 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.053 2.169 -3.732 1.00 0.00 N ATOM 0 H ARG A 88 -12.521 5.574 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.036 8.346 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.290 7.733 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.541 6.447 -6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.030 6.204 -3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.243 5.744 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.006 4.448 -5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.696 4.378 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.624 2.793 -5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.371 4.722 -2.665 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.586 3.766 -1.810 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.164 1.585 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.605 1.978 -2.896 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.696 6.438 -3.192 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.609 6.411 -1.743 1.00 0.00 C ATOM 1282 C LEU A 89 -11.673 7.525 -1.270 1.00 0.00 C ATOM 1283 O LEU A 89 -11.991 8.252 -0.330 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.201 5.019 -1.257 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.308 4.182 -0.613 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.830 2.755 -0.342 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.841 4.858 0.652 1.00 0.00 C ATOM 0 H LEU A 89 -12.343 5.601 -3.656 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.586 6.606 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.799 4.463 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.391 5.131 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 89 -14.138 4.115 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.636 2.182 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.538 2.285 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.974 2.780 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.627 4.242 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.030 4.977 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.247 5.837 0.398 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.537 7.625 -1.944 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.553 8.639 -1.606 1.00 0.00 C ATOM 1300 C PHE A 90 -9.865 9.963 -2.306 1.00 0.00 C ATOM 1301 O PHE A 90 -9.425 11.023 -1.864 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.196 8.126 -2.093 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.900 6.678 -1.698 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.340 5.656 -2.481 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.198 6.412 -0.565 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -8.065 4.312 -2.115 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.923 5.068 -0.198 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.363 4.046 -0.981 1.00 0.00 C ATOM 0 H PHE A 90 -10.276 7.020 -2.723 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.559 8.818 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.155 8.211 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.411 8.768 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.898 5.867 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.849 7.223 0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.413 3.501 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.365 4.857 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.155 3.024 -0.702 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.624 9.859 -3.388 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.001 11.034 -4.154 1.00 0.00 C ATOM 1319 C ASP A 91 -12.017 11.854 -3.356 1.00 0.00 C ATOM 1320 O ASP A 91 -12.017 13.081 -3.421 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.649 10.641 -5.482 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.984 11.234 -6.727 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.455 12.355 -6.696 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.024 10.484 -7.776 1.00 0.00 O ATOM 0 H ASP A 91 -10.988 8.978 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.098 11.612 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.639 9.554 -5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.694 10.950 -5.465 1.00 0.00 H new ATOM 1329 N MET A 92 -12.858 11.140 -2.622 1.00 0.00 N ATOM 1330 CA MET A 92 -13.878 11.786 -1.813 1.00 0.00 C ATOM 1331 C MET A 92 -13.320 12.187 -0.445 1.00 0.00 C ATOM 1332 O MET A 92 -13.745 13.185 0.135 1.00 0.00 O ATOM 1333 CB MET A 92 -15.058 10.833 -1.623 1.00 0.00 C ATOM 1334 CG MET A 92 -16.107 11.437 -0.686 1.00 0.00 C ATOM 1335 SD MET A 92 -17.745 11.127 -1.321 1.00 0.00 S ATOM 1336 CE MET A 92 -18.159 9.652 -0.404 1.00 0.00 C ATOM 0 H MET A 92 -12.854 10.121 -2.571 1.00 0.00 H new ATOM 0 HA MET A 92 -14.207 12.688 -2.329 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.512 10.614 -2.589 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.703 9.886 -1.215 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.007 11.007 0.310 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.943 12.510 -0.588 1.00 0.00 H new ATOM 0 HE1 MET A 92 -19.159 9.320 -0.682 1.00 0.00 H new ATOM 0 HE2 MET A 92 -17.439 8.867 -0.634 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.132 9.868 0.664 1.00 0.00 H new ATOM 1344 N SER A 93 -12.376 11.387 0.031 1.00 0.00 N ATOM 1345 CA SER A 93 -11.755 11.646 1.319 1.00 0.00 C ATOM 1346 C SER A 93 -10.944 12.941 1.258 1.00 0.00 C ATOM 1347 O SER A 93 -10.940 13.720 2.209 1.00 0.00 O ATOM 1348 CB SER A 93 -10.862 10.479 1.743 1.00 0.00 C ATOM 1349 OG SER A 93 -10.704 10.415 3.158 1.00 0.00 O ATOM 0 H SER A 93 -12.027 10.560 -0.452 1.00 0.00 H new ATOM 0 HA SER A 93 -12.543 11.754 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.292 9.544 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.884 10.582 1.273 1.00 0.00 H new ATOM 0 HG SER A 93 -10.129 9.656 3.389 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.276 13.132 0.129 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.463 14.319 -0.068 1.00 0.00 C ATOM 1356 C GLY A 94 -8.097 14.167 0.604 1.00 0.00 C ATOM 1357 O GLY A 94 -7.343 15.132 0.714 1.00 0.00 O ATOM 0 H GLY A 94 -10.282 12.484 -0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.329 14.499 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.978 15.189 0.340 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.820 12.945 1.037 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.558 12.653 1.696 1.00 0.00 C ATOM 1363 C LEU A 95 -5.717 11.743 0.798 1.00 0.00 C ATOM 1364 O LEU A 95 -4.685 11.227 1.224 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.803 12.081 3.094 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.698 12.329 4.123 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.103 13.729 3.962 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.207 12.084 5.545 1.00 0.00 C ATOM 0 H LEU A 95 -8.448 12.146 0.944 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.987 13.569 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.732 12.501 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.953 11.005 3.004 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.896 11.614 3.940 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.320 13.879 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.679 13.832 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.885 14.475 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.402 12.267 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.037 12.758 5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.545 11.052 5.638 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.189 11.576 -0.428 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.495 10.737 -1.390 1.00 0.00 C ATOM 1381 C PHE A 96 -4.002 11.070 -1.429 1.00 0.00 C ATOM 1382 O PHE A 96 -3.169 10.186 -1.623 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.106 11.029 -2.762 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.413 9.776 -3.585 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.793 8.601 -3.293 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.305 9.838 -4.609 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.078 7.438 -4.056 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.590 8.675 -5.374 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.970 7.500 -5.081 1.00 0.00 C ATOM 0 H PHE A 96 -7.044 12.008 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.600 9.688 -1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.027 11.596 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.422 11.663 -3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.083 8.553 -2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.797 10.771 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.587 6.505 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.298 8.724 -6.188 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.186 6.616 -5.663 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.708 12.348 -1.243 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.329 12.809 -1.254 1.00 0.00 C ATOM 1400 C LYS A 97 -1.552 12.107 -0.138 1.00 0.00 C ATOM 1401 O LYS A 97 -0.328 12.002 -0.201 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.274 14.336 -1.175 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.375 14.969 -2.029 1.00 0.00 C ATOM 1404 CD LYS A 97 -4.405 15.686 -1.153 1.00 0.00 C ATOM 1405 CE LYS A 97 -4.197 17.201 -1.190 1.00 0.00 C ATOM 1406 NZ LYS A 97 -4.530 17.737 -2.528 1.00 0.00 N ATOM 0 H LYS A 97 -4.401 13.079 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.846 12.544 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.384 14.654 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.299 14.686 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.934 15.677 -2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.869 14.199 -2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.411 15.445 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.325 15.329 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.821 17.678 -0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.162 17.438 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.797 18.739 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.703 17.650 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.325 17.200 -2.929 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.296 11.646 0.857 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.691 10.957 1.985 1.00 0.00 C ATOM 1417 C ILE A 98 -1.544 9.472 1.650 1.00 0.00 C ATOM 1418 O ILE A 98 -0.908 8.725 2.392 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.487 11.224 3.264 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.576 11.741 4.379 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.269 9.980 3.692 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.304 10.648 5.415 1.00 0.00 C ATOM 0 H ILE A 98 -3.311 11.736 0.906 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.689 11.342 2.175 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.216 12.007 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.634 12.086 3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.040 12.600 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.826 10.196 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.963 9.697 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.575 9.160 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.654 11.041 6.197 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.246 10.322 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.818 9.801 4.931 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.143 9.087 0.532 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.086 7.704 0.091 1.00 0.00 C ATOM 1435 C ILE A 99 -1.306 7.625 -1.222 1.00 0.00 C ATOM 1436 O ILE A 99 -0.895 6.543 -1.641 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.494 7.111 0.006 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.818 6.287 1.255 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.670 6.298 -1.277 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -4.472 7.156 2.331 1.00 0.00 C ATOM 0 H ILE A 99 -2.670 9.709 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.551 7.093 0.818 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.209 7.933 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.485 5.466 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.904 5.841 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.679 5.888 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.510 6.943 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.946 5.483 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.692 6.546 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.793 7.961 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.398 7.580 1.943 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.124 8.784 -1.837 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.400 8.859 -3.095 1.00 0.00 C ATOM 1453 C ARG A 100 -0.590 7.569 -3.895 1.00 0.00 C ATOM 1454 O ARG A 100 0.187 6.625 -3.752 1.00 0.00 O ATOM 1455 CB ARG A 100 1.095 9.088 -2.857 1.00 0.00 C ATOM 1456 CG ARG A 100 1.873 9.035 -4.172 1.00 0.00 C ATOM 1457 CD ARG A 100 2.916 10.153 -4.238 1.00 0.00 C ATOM 1458 NE ARG A 100 2.313 11.375 -4.816 1.00 0.00 N ATOM 1459 CZ ARG A 100 2.860 12.605 -4.724 1.00 0.00 C ATOM 1460 NH1 ARG A 100 4.030 12.788 -4.076 1.00 0.00 N ATOM 1461 NH2 ARG A 100 2.234 13.626 -5.277 1.00 0.00 N ATOM 0 H ARG A 100 -1.465 9.679 -1.488 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.800 9.702 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.247 10.056 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.478 8.331 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.365 8.067 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.183 9.127 -5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.299 10.364 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.764 9.835 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 100 1.428 11.281 -5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.508 11.993 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.437 13.721 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.350 13.479 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.634 14.563 -5.217 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.628 7.569 -4.718 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.930 6.410 -5.541 1.00 0.00 C ATOM 1473 C PHE A 101 -1.751 6.730 -7.026 1.00 0.00 C ATOM 1474 O PHE A 101 -1.539 7.884 -7.396 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.393 6.048 -5.283 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.640 4.548 -5.100 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.779 3.744 -6.187 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.721 4.021 -3.848 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -4.008 2.353 -6.017 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.950 2.630 -3.679 1.00 0.00 C ATOM 1481 CZ PHE A 101 -4.089 1.825 -4.767 1.00 0.00 C ATOM 0 H PHE A 101 -2.270 8.353 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.257 5.590 -5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.735 6.574 -4.391 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.998 6.407 -6.116 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.715 4.163 -7.180 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.611 4.660 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.118 1.714 -6.881 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.014 2.211 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.264 0.767 -4.638 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.843 5.687 -7.839 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.694 5.844 -9.277 1.00 0.00 C ATOM 1492 C GLU A 102 -2.479 4.757 -10.013 1.00 0.00 C ATOM 1493 O GLU A 102 -3.512 4.297 -9.529 1.00 0.00 O ATOM 1494 CB GLU A 102 -0.218 5.823 -9.680 1.00 0.00 C ATOM 1495 CG GLU A 102 0.087 6.922 -10.698 1.00 0.00 C ATOM 1496 CD GLU A 102 -1.069 7.093 -11.685 1.00 0.00 C ATOM 1497 OE1 GLU A 102 -1.986 7.889 -11.433 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -0.993 6.364 -12.746 1.00 0.00 O ATOM 0 H GLU A 102 -2.019 4.731 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.101 6.814 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.406 5.957 -8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.034 4.850 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.268 7.863 -10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.000 6.676 -11.241 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.959 4.377 -11.170 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.598 3.353 -11.978 1.00 0.00 C ATOM 1506 C GLN A 103 -1.548 2.556 -12.754 1.00 0.00 C ATOM 1507 O GLN A 103 -1.139 2.957 -13.843 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.631 3.966 -12.925 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.558 4.926 -12.177 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.496 5.650 -13.146 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.789 5.180 -14.233 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.948 6.815 -12.693 1.00 0.00 N ATOM 0 H GLN A 103 -1.101 4.760 -11.568 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.125 2.670 -11.312 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -3.122 4.498 -13.729 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.219 3.174 -13.389 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.144 4.373 -11.443 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.964 5.656 -11.627 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.663 7.150 -11.773 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.580 7.374 -13.266 1.00 0.00 H new ATOM 1519 N SER A 104 -1.141 1.442 -12.164 1.00 0.00 N ATOM 1520 CA SER A 104 -0.146 0.585 -12.787 1.00 0.00 C ATOM 1521 C SER A 104 1.095 1.403 -13.149 1.00 0.00 C ATOM 1522 O SER A 104 2.193 1.113 -12.677 1.00 0.00 O ATOM 1523 CB SER A 104 -0.711 -0.101 -14.032 1.00 0.00 C ATOM 1524 OG SER A 104 0.311 -0.709 -14.817 1.00 0.00 O ATOM 0 H SER A 104 -1.482 1.113 -11.261 1.00 0.00 H new ATOM 0 HA SER A 104 0.132 -0.190 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.436 -0.858 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.246 0.630 -14.637 1.00 0.00 H new ATOM 0 HG SER A 104 -0.090 -1.137 -15.602 1.00 0.00 H new ATOM 1529 N GLU A 105 0.879 2.409 -13.984 1.00 0.00 N ATOM 1530 CA GLU A 105 1.967 3.270 -14.415 1.00 0.00 C ATOM 1531 C GLU A 105 2.922 3.542 -13.251 1.00 0.00 C ATOM 1532 O GLU A 105 4.112 3.775 -13.461 1.00 0.00 O ATOM 1533 CB GLU A 105 1.431 4.579 -15.001 1.00 0.00 C ATOM 1534 CG GLU A 105 2.578 5.506 -15.410 1.00 0.00 C ATOM 1535 CD GLU A 105 2.154 6.431 -16.553 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.186 6.131 -17.266 1.00 0.00 O ATOM 1537 OE2 GLU A 105 2.869 7.496 -16.686 1.00 0.00 O ATOM 0 H GLU A 105 -0.033 2.647 -14.373 1.00 0.00 H new ATOM 0 HA GLU A 105 2.520 2.757 -15.202 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.805 4.365 -15.867 1.00 0.00 H new ATOM 0 HB3 GLU A 105 0.799 5.079 -14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.892 6.102 -14.553 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.438 4.912 -15.718 1.00 0.00 H new ATOM 1543 N GLN A 106 2.366 3.503 -12.049 1.00 0.00 N ATOM 1544 CA GLN A 106 3.153 3.742 -10.852 1.00 0.00 C ATOM 1545 C GLN A 106 4.035 2.530 -10.545 1.00 0.00 C ATOM 1546 O GLN A 106 5.002 2.635 -9.794 1.00 0.00 O ATOM 1547 CB GLN A 106 2.252 4.080 -9.662 1.00 0.00 C ATOM 1548 CG GLN A 106 2.984 3.849 -8.337 1.00 0.00 C ATOM 1549 CD GLN A 106 2.438 4.768 -7.243 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.707 4.355 -6.358 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.833 6.033 -7.352 1.00 0.00 N ATOM 0 H GLN A 106 1.379 3.309 -11.879 1.00 0.00 H new ATOM 0 HA GLN A 106 3.800 4.601 -11.032 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.931 5.120 -9.728 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.352 3.466 -9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.873 2.808 -8.032 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.051 4.030 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.446 6.312 -8.118 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.523 6.725 -6.669 1.00 0.00 H new ATOM 1558 N GLN A 107 3.668 1.405 -11.143 1.00 0.00 N ATOM 1559 CA GLN A 107 4.412 0.174 -10.942 1.00 0.00 C ATOM 1560 C GLN A 107 5.901 0.479 -10.755 1.00 0.00 C ATOM 1561 O GLN A 107 6.596 -0.231 -10.029 1.00 0.00 O ATOM 1562 CB GLN A 107 4.195 -0.795 -12.107 1.00 0.00 C ATOM 1563 CG GLN A 107 4.743 -2.184 -11.775 1.00 0.00 C ATOM 1564 CD GLN A 107 3.606 -3.180 -11.540 1.00 0.00 C ATOM 1565 OE1 GLN A 107 2.702 -3.331 -12.344 1.00 0.00 O ATOM 1566 NE2 GLN A 107 3.702 -3.849 -10.394 1.00 0.00 N ATOM 0 H GLN A 107 2.865 1.321 -11.767 1.00 0.00 H new ATOM 0 HA GLN A 107 4.041 -0.308 -10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.131 -0.865 -12.333 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.686 -0.410 -13.001 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.375 -2.534 -12.591 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.372 -2.128 -10.886 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.486 -3.674 -9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.992 -4.537 -10.144 1.00 0.00 H new ATOM 1573 N ALA A 108 6.344 1.534 -11.421 1.00 0.00 N ATOM 1574 CA ALA A 108 7.737 1.941 -11.337 1.00 0.00 C ATOM 1575 C ALA A 108 7.954 2.738 -10.049 1.00 0.00 C ATOM 1576 O ALA A 108 8.792 2.376 -9.224 1.00 0.00 O ATOM 1577 CB ALA A 108 8.112 2.740 -12.586 1.00 0.00 C ATOM 0 H ALA A 108 5.764 2.120 -12.021 1.00 0.00 H new ATOM 0 HA ALA A 108 8.390 1.069 -11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.157 3.045 -12.523 1.00 0.00 H new ATOM 0 HB2 ALA A 108 7.968 2.120 -13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.479 3.625 -12.656 1.00 0.00 H new ATOM 1583 N LEU A 109 7.184 3.808 -9.916 1.00 0.00 N ATOM 1584 CA LEU A 109 7.281 4.659 -8.742 1.00 0.00 C ATOM 1585 C LEU A 109 6.969 3.833 -7.492 1.00 0.00 C ATOM 1586 O LEU A 109 7.442 4.149 -6.402 1.00 0.00 O ATOM 1587 CB LEU A 109 6.392 5.894 -8.901 1.00 0.00 C ATOM 1588 CG LEU A 109 7.098 7.247 -8.790 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.174 8.385 -9.227 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.648 7.465 -7.379 1.00 0.00 C ATOM 0 H LEU A 109 6.490 4.105 -10.602 1.00 0.00 H new ATOM 0 HA LEU A 109 8.297 5.038 -8.629 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.901 5.841 -9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.608 5.853 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 109 7.950 7.244 -9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.700 9.335 -9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.873 8.232 -10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.289 8.400 -8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.145 8.434 -7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.828 7.439 -6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.363 6.678 -7.142 1.00 0.00 H new ATOM 1601 N LEU A 110 6.173 2.793 -7.692 1.00 0.00 N ATOM 1602 CA LEU A 110 5.793 1.920 -6.595 1.00 0.00 C ATOM 1603 C LEU A 110 7.053 1.414 -5.890 1.00 0.00 C ATOM 1604 O LEU A 110 7.089 1.324 -4.663 1.00 0.00 O ATOM 1605 CB LEU A 110 4.875 0.801 -7.093 1.00 0.00 C ATOM 1606 CG LEU A 110 4.267 -0.097 -6.015 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.088 0.594 -5.327 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.875 -1.459 -6.593 1.00 0.00 C ATOM 0 H LEU A 110 5.781 2.535 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 110 5.213 2.471 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.063 1.251 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.440 0.175 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 110 5.025 -0.277 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.674 -0.066 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.430 1.518 -4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.319 0.823 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.445 -2.078 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.141 -1.320 -7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.759 -1.950 -6.999 1.00 0.00 H new ATOM 1619 N THR A 111 8.057 1.097 -6.696 1.00 0.00 N ATOM 1620 CA THR A 111 9.315 0.603 -6.164 1.00 0.00 C ATOM 1621 C THR A 111 9.937 1.634 -5.220 1.00 0.00 C ATOM 1622 O THR A 111 10.989 1.386 -4.633 1.00 0.00 O ATOM 1623 CB THR A 111 10.217 0.240 -7.347 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.097 -1.175 -7.454 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.699 0.467 -7.043 1.00 0.00 C ATOM 0 H THR A 111 8.024 1.173 -7.713 1.00 0.00 H new ATOM 0 HA THR A 111 9.166 -0.293 -5.562 1.00 0.00 H new ATOM 0 HB THR A 111 9.930 0.831 -8.217 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.649 -1.495 -8.198 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.295 0.194 -7.914 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.865 1.518 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.995 -0.149 -6.194 1.00 0.00 H new ATOM 1633 N LEU A 112 9.259 2.766 -5.102 1.00 0.00 N ATOM 1634 CA LEU A 112 9.733 3.834 -4.239 1.00 0.00 C ATOM 1635 C LEU A 112 10.430 4.900 -5.088 1.00 0.00 C ATOM 1636 O LEU A 112 11.294 5.623 -4.596 1.00 0.00 O ATOM 1637 CB LEU A 112 10.608 3.271 -3.119 1.00 0.00 C ATOM 1638 CG LEU A 112 12.120 3.405 -3.317 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.709 4.437 -2.353 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.811 2.046 -3.196 1.00 0.00 C ATOM 0 H LEU A 112 8.386 2.967 -5.589 1.00 0.00 H new ATOM 0 HA LEU A 112 8.894 4.321 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 112 10.338 3.770 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.370 2.215 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 112 12.302 3.769 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.784 4.513 -2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.246 5.407 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.517 4.127 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.884 2.169 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.624 1.630 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.418 1.369 -3.955 1.00 0.00 H new ATOM 1651 N GLY A 113 10.027 4.962 -6.349 1.00 0.00 N ATOM 1652 CA GLY A 113 10.603 5.927 -7.271 1.00 0.00 C ATOM 1653 C GLY A 113 11.999 5.491 -7.719 1.00 0.00 C ATOM 1654 O GLY A 113 12.998 6.085 -7.316 1.00 0.00 O ATOM 0 H GLY A 113 9.309 4.361 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.955 6.036 -8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.660 6.904 -6.792 1.00 0.00 H new ATOM 1658 N VAL A 114 12.024 4.458 -8.548 1.00 0.00 N ATOM 1659 CA VAL A 114 13.282 3.935 -9.055 1.00 0.00 C ATOM 1660 C VAL A 114 14.317 3.924 -7.927 1.00 0.00 C ATOM 1661 O VAL A 114 15.419 4.447 -8.086 1.00 0.00 O ATOM 1662 CB VAL A 114 13.733 4.746 -10.271 1.00 0.00 C ATOM 1663 CG1 VAL A 114 14.617 5.922 -9.850 1.00 0.00 C ATOM 1664 CG2 VAL A 114 14.450 3.857 -11.288 1.00 0.00 C ATOM 0 H VAL A 114 11.193 3.969 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 114 13.159 2.906 -9.394 1.00 0.00 H new ATOM 0 HB VAL A 114 12.843 5.152 -10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 114 14.923 6.481 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 114 14.058 6.577 -9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.501 5.546 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.760 4.459 -12.142 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.327 3.407 -10.823 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.774 3.071 -11.624 1.00 0.00 H new ATOM 1674 N ALA A 115 13.924 3.323 -6.813 1.00 0.00 N ATOM 1675 CA ALA A 115 14.804 3.236 -5.660 1.00 0.00 C ATOM 1676 C ALA A 115 15.670 4.496 -5.589 1.00 0.00 C ATOM 1677 O ALA A 115 16.856 4.420 -5.272 1.00 0.00 O ATOM 1678 CB ALA A 115 15.640 1.958 -5.750 1.00 0.00 C ATOM 0 H ALA A 115 13.009 2.892 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 115 14.225 3.181 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 115 16.300 1.893 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.979 1.091 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 115 16.237 1.978 -6.661 1.00 0.00 H new