USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 768 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 82 SER OG : rot 99:sc= 0.945 USER MOD Set 1.2: A 104 THR OG1 : rot 180:sc= 0.99 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.407 X(o=0.3,f=0.099) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -172:sc= 0.708 (180deg=0.837) USER MOD Set 3.1: A 14 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.94) USER MOD Set 3.2: A 46 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.111) USER MOD Set 4.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 28 SER OG : rot 39:sc= 0.0185 USER MOD Set 5.2: A 64 THR OG1 : rot 84:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 3 ASN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 0.988 (180deg=0.89) USER MOD Single : A 11 GLN : amide:sc= 0.8 K(o=0.8,f=-5.9!) USER MOD Single : A 20 GLN : amide:sc= -1.55! C(o=-1.6!,f=-3.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -4.9! C(o=-6.8!,f=-4.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.941 X(o=-0.94,f=-1.3) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 12:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 120:sc= 0.0058 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 66:sc= 0.749 USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00105 USER MOD Single : A 57 MET CE :methyl -150:sc= -1.4 (180deg=-2.02) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0336) USER MOD Single : A 83 SER OG : rot 111:sc= 1.21 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0521) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.918 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.037 -18.922 4.815 1.00 0.00 N ATOM 2 CA MET A 1 3.685 -18.803 6.134 1.00 0.00 C ATOM 3 C MET A 1 4.682 -17.654 6.131 1.00 0.00 C ATOM 4 O MET A 1 5.604 -17.678 5.322 1.00 0.00 O ATOM 5 CB MET A 1 4.407 -20.088 6.567 1.00 0.00 C ATOM 6 CG MET A 1 3.441 -21.237 6.850 1.00 0.00 C ATOM 7 SD MET A 1 4.106 -22.480 7.984 1.00 0.00 S ATOM 8 CE MET A 1 2.558 -23.346 8.347 1.00 0.00 C ATOM 0 H1 MET A 1 2.359 -19.710 4.831 1.00 0.00 H new ATOM 0 H2 MET A 1 2.535 -18.038 4.594 1.00 0.00 H new ATOM 0 H3 MET A 1 3.759 -19.102 4.088 1.00 0.00 H new ATOM 0 HA MET A 1 2.886 -18.614 6.851 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.105 -20.389 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.997 -19.885 7.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.520 -20.831 7.268 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.178 -21.720 5.909 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.753 -24.163 9.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.848 -22.650 8.795 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.140 -23.746 7.423 1.00 0.00 H new ATOM 16 N ASN A 2 4.488 -16.673 7.026 1.00 0.00 N ATOM 17 CA ASN A 2 5.341 -15.520 7.352 1.00 0.00 C ATOM 18 C ASN A 2 6.269 -15.081 6.205 1.00 0.00 C ATOM 19 O ASN A 2 7.483 -15.064 6.340 1.00 0.00 O ATOM 20 CB ASN A 2 6.096 -15.765 8.672 1.00 0.00 C ATOM 21 CG ASN A 2 5.148 -15.734 9.865 1.00 0.00 C ATOM 22 OD1 ASN A 2 4.323 -16.628 10.039 1.00 0.00 O ATOM 23 ND2 ASN A 2 5.208 -14.702 10.686 1.00 0.00 N ATOM 0 H ASN A 2 3.643 -16.668 7.598 1.00 0.00 H new ATOM 0 HA ASN A 2 4.676 -14.668 7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 2 6.601 -16.730 8.631 1.00 0.00 H new ATOM 0 HB3 ASN A 2 6.868 -15.006 8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.565 -14.640 11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 2 5.897 -13.966 10.531 1.00 0.00 H new ATOM 29 N ASN A 3 5.684 -14.732 5.057 1.00 0.00 N ATOM 30 CA ASN A 3 6.356 -14.313 3.827 1.00 0.00 C ATOM 31 C ASN A 3 5.365 -13.384 3.146 1.00 0.00 C ATOM 32 O ASN A 3 4.617 -13.840 2.270 1.00 0.00 O ATOM 33 CB ASN A 3 6.667 -15.521 2.915 1.00 0.00 C ATOM 34 CG ASN A 3 8.012 -16.179 3.163 1.00 0.00 C ATOM 35 OD1 ASN A 3 8.968 -15.958 2.432 1.00 0.00 O ATOM 36 ND2 ASN A 3 8.114 -17.081 4.117 1.00 0.00 N ATOM 0 H ASN A 3 4.669 -14.735 4.956 1.00 0.00 H new ATOM 0 HA ASN A 3 7.312 -13.833 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.884 -16.268 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.625 -15.194 1.876 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.987 -17.592 4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.320 -17.268 4.729 1.00 0.00 H new ATOM 42 N LEU A 4 5.302 -12.116 3.596 1.00 0.00 N ATOM 43 CA LEU A 4 4.414 -11.045 3.222 1.00 0.00 C ATOM 44 C LEU A 4 2.946 -11.416 3.408 1.00 0.00 C ATOM 45 O LEU A 4 2.569 -12.576 3.340 1.00 0.00 O ATOM 46 CB LEU A 4 4.853 -10.565 1.840 1.00 0.00 C ATOM 47 CG LEU A 4 4.112 -9.366 1.274 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.895 -9.828 0.492 1.00 0.00 C ATOM 49 CD2 LEU A 4 3.894 -8.147 2.176 1.00 0.00 C ATOM 0 H LEU A 4 5.956 -11.802 4.313 1.00 0.00 H new ATOM 0 HA LEU A 4 4.489 -10.187 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.914 -10.321 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.746 -11.394 1.141 1.00 0.00 H new ATOM 0 HG LEU A 4 4.818 -8.905 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.370 -8.961 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.212 -10.472 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.228 -10.382 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.351 -7.379 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.317 -8.441 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.859 -7.752 2.493 1.00 0.00 H new ATOM 60 N LYS A 5 2.103 -10.455 3.756 1.00 0.00 N ATOM 61 CA LYS A 5 0.651 -10.499 3.644 1.00 0.00 C ATOM 62 C LYS A 5 0.062 -9.118 3.856 1.00 0.00 C ATOM 63 O LYS A 5 0.755 -8.140 4.116 1.00 0.00 O ATOM 64 CB LYS A 5 0.032 -11.522 4.610 1.00 0.00 C ATOM 65 CG LYS A 5 -0.103 -11.115 6.084 1.00 0.00 C ATOM 66 CD LYS A 5 -1.152 -11.979 6.793 1.00 0.00 C ATOM 67 CE LYS A 5 -1.792 -11.129 7.884 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.863 -11.828 8.604 1.00 0.00 N ATOM 0 H LYS A 5 2.432 -9.572 4.147 1.00 0.00 H new ATOM 0 HA LYS A 5 0.406 -10.828 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.961 -11.776 4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.631 -12.431 4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.860 -11.220 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.385 -10.064 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.906 -12.323 6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.689 -12.867 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.024 -10.822 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.195 -10.220 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.381 -11.150 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.517 -12.259 7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.451 -12.570 9.204 1.00 0.00 H new ATOM 78 N LEU A 6 -1.256 -9.070 3.815 1.00 0.00 N ATOM 79 CA LEU A 6 -2.126 -7.984 4.170 1.00 0.00 C ATOM 80 C LEU A 6 -3.005 -8.489 5.306 1.00 0.00 C ATOM 81 O LEU A 6 -3.288 -9.689 5.380 1.00 0.00 O ATOM 82 CB LEU A 6 -2.978 -7.563 2.975 1.00 0.00 C ATOM 83 CG LEU A 6 -3.009 -8.489 1.748 1.00 0.00 C ATOM 84 CD1 LEU A 6 -1.724 -8.463 0.897 1.00 0.00 C ATOM 85 CD2 LEU A 6 -3.479 -9.911 2.052 1.00 0.00 C ATOM 0 H LEU A 6 -1.791 -9.879 3.498 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.555 -7.108 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.003 -7.437 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.630 -6.584 2.646 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.782 -8.048 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.833 -9.144 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.553 -7.452 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.877 -8.774 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.472 -10.500 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.810 -10.367 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.491 -9.881 2.457 1.00 0.00 H new ATOM 96 N ASP A 7 -3.457 -7.586 6.172 1.00 0.00 N ATOM 97 CA ASP A 7 -4.172 -7.941 7.396 1.00 0.00 C ATOM 98 C ASP A 7 -5.638 -7.566 7.308 1.00 0.00 C ATOM 99 O ASP A 7 -6.508 -8.392 7.574 1.00 0.00 O ATOM 100 CB ASP A 7 -3.551 -7.227 8.607 1.00 0.00 C ATOM 101 CG ASP A 7 -3.201 -8.162 9.765 1.00 0.00 C ATOM 102 OD1 ASP A 7 -3.510 -9.379 9.726 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.548 -7.647 10.696 1.00 0.00 O ATOM 0 H ASP A 7 -3.337 -6.581 6.044 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.089 -9.021 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.648 -6.708 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.246 -6.467 8.964 1.00 0.00 H new ATOM 107 N ILE A 8 -5.853 -6.329 6.854 1.00 0.00 N ATOM 108 CA ILE A 8 -7.096 -5.707 6.452 1.00 0.00 C ATOM 109 C ILE A 8 -8.001 -5.371 7.657 1.00 0.00 C ATOM 110 O ILE A 8 -8.306 -6.185 8.529 1.00 0.00 O ATOM 111 CB ILE A 8 -7.739 -6.535 5.328 1.00 0.00 C ATOM 112 CG1 ILE A 8 -6.801 -6.720 4.109 1.00 0.00 C ATOM 113 CG2 ILE A 8 -9.043 -5.860 4.891 1.00 0.00 C ATOM 114 CD1 ILE A 8 -7.349 -7.675 3.042 1.00 0.00 C ATOM 0 H ILE A 8 -5.073 -5.679 6.752 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.905 -4.723 6.024 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.939 -7.531 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.619 -5.747 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.838 -7.094 4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.505 -6.442 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.725 -5.802 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.829 -4.855 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.636 -7.752 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.505 -8.660 3.481 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.297 -7.293 2.664 1.00 0.00 H new ATOM 125 N VAL A 9 -8.413 -4.106 7.690 1.00 0.00 N ATOM 126 CA VAL A 9 -9.118 -3.400 8.744 1.00 0.00 C ATOM 127 C VAL A 9 -10.018 -2.409 8.008 1.00 0.00 C ATOM 128 O VAL A 9 -9.727 -1.222 7.894 1.00 0.00 O ATOM 129 CB VAL A 9 -8.118 -2.747 9.739 1.00 0.00 C ATOM 130 CG1 VAL A 9 -8.848 -2.065 10.905 1.00 0.00 C ATOM 131 CG2 VAL A 9 -7.090 -3.712 10.347 1.00 0.00 C ATOM 0 H VAL A 9 -8.241 -3.492 6.894 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.721 -4.050 9.378 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.581 -2.025 9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.118 -1.619 11.581 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.506 -1.287 10.517 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.439 -2.804 11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.436 -3.166 11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.609 -4.498 10.895 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.494 -4.158 9.551 1.00 0.00 H new ATOM 141 N GLU A 10 -11.097 -2.904 7.401 1.00 0.00 N ATOM 142 CA GLU A 10 -12.112 -2.033 6.841 1.00 0.00 C ATOM 143 C GLU A 10 -12.708 -1.213 7.990 1.00 0.00 C ATOM 144 O GLU A 10 -13.466 -1.728 8.812 1.00 0.00 O ATOM 145 CB GLU A 10 -13.127 -2.809 5.973 1.00 0.00 C ATOM 146 CG GLU A 10 -12.618 -2.849 4.517 1.00 0.00 C ATOM 147 CD GLU A 10 -13.474 -3.668 3.540 1.00 0.00 C ATOM 148 OE1 GLU A 10 -13.258 -4.897 3.467 1.00 0.00 O ATOM 149 OE2 GLU A 10 -14.277 -3.105 2.754 1.00 0.00 O ATOM 0 H GLU A 10 -11.284 -3.900 7.288 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.683 -1.328 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.252 -3.822 6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.104 -2.328 6.017 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.552 -1.826 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.606 -3.255 4.515 1.00 0.00 H new ATOM 154 N GLN A 11 -12.315 0.064 8.068 1.00 0.00 N ATOM 155 CA GLN A 11 -12.823 1.031 9.019 1.00 0.00 C ATOM 156 C GLN A 11 -14.187 1.537 8.520 1.00 0.00 C ATOM 157 O GLN A 11 -14.840 0.839 7.743 1.00 0.00 O ATOM 158 CB GLN A 11 -11.798 2.150 9.255 1.00 0.00 C ATOM 159 CG GLN A 11 -11.508 2.415 10.746 1.00 0.00 C ATOM 160 CD GLN A 11 -12.074 3.734 11.264 1.00 0.00 C ATOM 161 OE1 GLN A 11 -13.091 4.231 10.786 1.00 0.00 O ATOM 162 NE2 GLN A 11 -11.428 4.314 12.254 1.00 0.00 N ATOM 0 H GLN A 11 -11.609 0.455 7.444 1.00 0.00 H new ATOM 0 HA GLN A 11 -12.978 0.571 9.995 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.866 1.890 8.753 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.163 3.069 8.795 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.921 1.597 11.337 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.429 2.408 10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.586 3.883 12.635 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.770 5.194 12.640 1.00 0.00 H new ATOM 169 N ASP A 12 -14.654 2.717 8.941 1.00 0.00 N ATOM 170 CA ASP A 12 -16.042 3.111 8.644 1.00 0.00 C ATOM 171 C ASP A 12 -16.233 3.509 7.185 1.00 0.00 C ATOM 172 O ASP A 12 -17.141 3.004 6.528 1.00 0.00 O ATOM 173 CB ASP A 12 -16.578 4.230 9.544 1.00 0.00 C ATOM 174 CG ASP A 12 -18.116 4.246 9.502 1.00 0.00 C ATOM 175 OD1 ASP A 12 -18.736 3.163 9.577 1.00 0.00 O ATOM 176 OD2 ASP A 12 -18.757 5.320 9.547 1.00 0.00 O ATOM 0 H ASP A 12 -14.114 3.400 9.472 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.622 2.212 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -16.235 4.080 10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.187 5.192 9.214 1.00 0.00 H new ATOM 180 N ASP A 13 -15.348 4.372 6.671 1.00 0.00 N ATOM 181 CA ASP A 13 -15.367 4.840 5.270 1.00 0.00 C ATOM 182 C ASP A 13 -14.086 4.462 4.513 1.00 0.00 C ATOM 183 O ASP A 13 -14.010 4.524 3.279 1.00 0.00 O ATOM 184 CB ASP A 13 -15.700 6.340 5.150 1.00 0.00 C ATOM 185 CG ASP A 13 -14.566 7.339 5.414 1.00 0.00 C ATOM 186 OD1 ASP A 13 -13.404 7.095 5.033 1.00 0.00 O ATOM 187 OD2 ASP A 13 -14.883 8.446 5.903 1.00 0.00 O ATOM 0 H ASP A 13 -14.587 4.773 7.219 1.00 0.00 H new ATOM 0 HA ASP A 13 -16.184 4.309 4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.081 6.521 4.145 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.512 6.561 5.843 1.00 0.00 H new ATOM 191 N LYS A 14 -13.099 3.979 5.266 1.00 0.00 N ATOM 192 CA LYS A 14 -11.705 3.910 4.891 1.00 0.00 C ATOM 193 C LYS A 14 -11.229 2.494 5.072 1.00 0.00 C ATOM 194 O LYS A 14 -11.309 1.949 6.172 1.00 0.00 O ATOM 195 CB LYS A 14 -10.918 4.953 5.700 1.00 0.00 C ATOM 196 CG LYS A 14 -11.129 4.979 7.224 1.00 0.00 C ATOM 197 CD LYS A 14 -10.632 6.284 7.856 1.00 0.00 C ATOM 198 CE LYS A 14 -9.110 6.274 7.807 1.00 0.00 C ATOM 199 NZ LYS A 14 -8.488 7.516 8.318 1.00 0.00 N ATOM 0 H LYS A 14 -13.269 3.608 6.201 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.547 4.158 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.856 4.794 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.168 5.940 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.189 4.851 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.606 4.136 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.026 7.145 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.981 6.367 8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.743 5.429 8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.790 6.115 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.497 7.328 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.523 8.250 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.006 7.844 9.158 1.00 0.00 H new ATOM 209 N ALA A 15 -10.882 1.848 3.972 1.00 0.00 N ATOM 210 CA ALA A 15 -10.527 0.434 3.974 1.00 0.00 C ATOM 211 C ALA A 15 -9.052 0.317 4.315 1.00 0.00 C ATOM 212 O ALA A 15 -8.222 0.560 3.436 1.00 0.00 O ATOM 213 CB ALA A 15 -10.899 -0.184 2.626 1.00 0.00 C ATOM 0 H ALA A 15 -10.838 2.286 3.052 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.082 -0.125 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.634 -1.241 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.971 -0.078 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.357 0.326 1.830 1.00 0.00 H new ATOM 219 N ILE A 16 -8.702 0.029 5.578 1.00 0.00 N ATOM 220 CA ILE A 16 -7.283 0.055 5.925 1.00 0.00 C ATOM 221 C ILE A 16 -6.696 -1.310 5.572 1.00 0.00 C ATOM 222 O ILE A 16 -7.106 -2.339 6.098 1.00 0.00 O ATOM 223 CB ILE A 16 -7.069 0.456 7.394 1.00 0.00 C ATOM 224 CG1 ILE A 16 -7.716 1.824 7.718 1.00 0.00 C ATOM 225 CG2 ILE A 16 -5.571 0.456 7.736 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.041 1.947 9.204 1.00 0.00 C ATOM 0 H ILE A 16 -9.344 -0.211 6.334 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.757 0.820 5.353 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.567 -0.287 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.040 2.627 7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.628 1.945 7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -5.436 0.742 8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.162 -0.542 7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.051 1.168 7.095 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.494 2.919 9.398 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.737 1.159 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.124 1.851 9.786 1.00 0.00 H new ATOM 237 N VAL A 17 -5.729 -1.345 4.674 1.00 0.00 N ATOM 238 CA VAL A 17 -4.915 -2.492 4.332 1.00 0.00 C ATOM 239 C VAL A 17 -3.605 -2.328 5.099 1.00 0.00 C ATOM 240 O VAL A 17 -2.670 -1.653 4.678 1.00 0.00 O ATOM 241 CB VAL A 17 -4.739 -2.534 2.804 1.00 0.00 C ATOM 242 CG1 VAL A 17 -3.888 -3.747 2.410 1.00 0.00 C ATOM 243 CG2 VAL A 17 -6.098 -2.601 2.087 1.00 0.00 C ATOM 0 H VAL A 17 -5.477 -0.519 4.131 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.363 -3.446 4.610 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.236 -1.617 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.767 -3.771 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.909 -3.673 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.382 -4.661 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.940 -2.629 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.630 -3.499 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.689 -1.722 2.344 1.00 0.00 H new ATOM 253 N ARG A 18 -3.534 -2.935 6.277 1.00 0.00 N ATOM 254 CA ARG A 18 -2.255 -3.022 6.979 1.00 0.00 C ATOM 255 C ARG A 18 -1.407 -4.054 6.256 1.00 0.00 C ATOM 256 O ARG A 18 -1.914 -5.155 6.014 1.00 0.00 O ATOM 257 CB ARG A 18 -2.406 -3.390 8.455 1.00 0.00 C ATOM 258 CG ARG A 18 -3.462 -2.545 9.175 1.00 0.00 C ATOM 259 CD ARG A 18 -3.293 -2.668 10.686 1.00 0.00 C ATOM 260 NE ARG A 18 -2.221 -1.794 11.180 1.00 0.00 N ATOM 261 CZ ARG A 18 -1.019 -2.138 11.644 1.00 0.00 C ATOM 262 NH1 ARG A 18 -0.623 -3.406 11.677 1.00 0.00 N ATOM 263 NH2 ARG A 18 -0.185 -1.199 12.068 1.00 0.00 N ATOM 0 H ARG A 18 -4.324 -3.365 6.759 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.781 -2.040 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.674 -4.443 8.536 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.446 -3.266 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.370 -1.501 8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.460 -2.873 8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.230 -2.411 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.069 -3.703 10.945 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.422 -0.794 11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.244 -4.143 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.302 -3.642 12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.464 -0.218 12.039 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.735 -1.457 12.424 1.00 0.00 H new ATOM 274 N VAL A 19 -0.160 -3.740 5.913 1.00 0.00 N ATOM 275 CA VAL A 19 0.721 -4.683 5.244 1.00 0.00 C ATOM 276 C VAL A 19 1.644 -5.313 6.294 1.00 0.00 C ATOM 277 O VAL A 19 2.120 -4.626 7.204 1.00 0.00 O ATOM 278 CB VAL A 19 1.481 -3.918 4.151 1.00 0.00 C ATOM 279 CG1 VAL A 19 2.454 -4.825 3.380 1.00 0.00 C ATOM 280 CG2 VAL A 19 0.520 -3.316 3.116 1.00 0.00 C ATOM 0 H VAL A 19 0.263 -2.829 6.091 1.00 0.00 H new ATOM 0 HA VAL A 19 0.178 -5.498 4.765 1.00 0.00 H new ATOM 0 HB VAL A 19 2.030 -3.135 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.969 -4.241 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.185 -5.245 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.899 -5.633 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.091 -2.782 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.053 -4.114 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.161 -2.624 3.611 1.00 0.00 H new ATOM 290 N GLN A 20 1.915 -6.614 6.167 1.00 0.00 N ATOM 291 CA GLN A 20 2.850 -7.356 7.000 1.00 0.00 C ATOM 292 C GLN A 20 3.997 -7.896 6.169 1.00 0.00 C ATOM 293 O GLN A 20 3.738 -8.456 5.113 1.00 0.00 O ATOM 294 CB GLN A 20 2.163 -8.574 7.595 1.00 0.00 C ATOM 295 CG GLN A 20 1.043 -8.184 8.570 1.00 0.00 C ATOM 296 CD GLN A 20 0.666 -9.351 9.486 1.00 0.00 C ATOM 297 OE1 GLN A 20 1.189 -10.456 9.349 1.00 0.00 O ATOM 298 NE2 GLN A 20 -0.247 -9.182 10.424 1.00 0.00 N ATOM 0 H GLN A 20 1.472 -7.195 5.456 1.00 0.00 H new ATOM 0 HA GLN A 20 3.207 -6.672 7.770 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.749 -9.185 6.793 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.899 -9.187 8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.364 -7.335 9.174 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.166 -7.863 8.009 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.688 -8.271 10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.511 -9.963 11.025 1.00 0.00 H new ATOM 305 N GLY A 21 5.214 -7.892 6.709 1.00 0.00 N ATOM 306 CA GLY A 21 6.383 -8.424 6.036 1.00 0.00 C ATOM 307 C GLY A 21 7.002 -7.373 5.126 1.00 0.00 C ATOM 308 O GLY A 21 6.377 -6.377 4.777 1.00 0.00 O ATOM 0 H GLY A 21 5.412 -7.514 7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.116 -8.752 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.105 -9.301 5.451 1.00 0.00 H new ATOM 312 N ASP A 22 8.257 -7.592 4.770 1.00 0.00 N ATOM 313 CA ASP A 22 8.965 -6.915 3.700 1.00 0.00 C ATOM 314 C ASP A 22 8.281 -7.182 2.353 1.00 0.00 C ATOM 315 O ASP A 22 7.529 -8.143 2.192 1.00 0.00 O ATOM 316 CB ASP A 22 10.456 -7.315 3.720 1.00 0.00 C ATOM 317 CG ASP A 22 10.760 -8.732 4.239 1.00 0.00 C ATOM 318 OD1 ASP A 22 10.889 -8.874 5.487 1.00 0.00 O ATOM 319 OD2 ASP A 22 10.860 -9.692 3.460 1.00 0.00 O ATOM 0 H ASP A 22 8.838 -8.283 5.245 1.00 0.00 H new ATOM 0 HA ASP A 22 8.927 -5.836 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.851 -7.226 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.997 -6.598 4.337 1.00 0.00 H new ATOM 323 N ILE A 23 8.515 -6.280 1.402 1.00 0.00 N ATOM 324 CA ILE A 23 7.902 -6.229 0.080 1.00 0.00 C ATOM 325 C ILE A 23 8.995 -6.438 -0.973 1.00 0.00 C ATOM 326 O ILE A 23 10.045 -5.797 -0.901 1.00 0.00 O ATOM 327 CB ILE A 23 7.142 -4.880 -0.049 1.00 0.00 C ATOM 328 CG1 ILE A 23 6.566 -4.612 -1.444 1.00 0.00 C ATOM 329 CG2 ILE A 23 8.010 -3.646 0.200 1.00 0.00 C ATOM 330 CD1 ILE A 23 5.317 -3.728 -1.386 1.00 0.00 C ATOM 0 H ILE A 23 9.179 -5.519 1.545 1.00 0.00 H new ATOM 0 HA ILE A 23 7.169 -7.021 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 23 6.367 -5.009 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.323 -4.131 -2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.318 -5.559 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.404 -2.747 0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.420 -3.687 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.826 -3.623 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.941 -3.563 -2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.550 -4.221 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.570 -2.770 -0.932 1.00 0.00 H new ATOM 341 N ASP A 24 8.759 -7.273 -1.990 1.00 0.00 N ATOM 342 CA ASP A 24 9.712 -7.622 -3.049 1.00 0.00 C ATOM 343 C ASP A 24 9.042 -8.342 -4.232 1.00 0.00 C ATOM 344 O ASP A 24 7.827 -8.269 -4.383 1.00 0.00 O ATOM 345 CB ASP A 24 10.850 -8.465 -2.485 1.00 0.00 C ATOM 346 CG ASP A 24 10.478 -9.876 -2.026 1.00 0.00 C ATOM 347 OD1 ASP A 24 9.374 -10.353 -2.350 1.00 0.00 O ATOM 348 OD2 ASP A 24 11.349 -10.494 -1.366 1.00 0.00 O ATOM 0 H ASP A 24 7.861 -7.744 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 24 10.117 -6.686 -3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.627 -8.545 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.285 -7.932 -1.639 1.00 0.00 H new ATOM 352 N ALA A 25 9.817 -9.016 -5.088 1.00 0.00 N ATOM 353 CA ALA A 25 9.373 -9.819 -6.221 1.00 0.00 C ATOM 354 C ALA A 25 8.285 -10.866 -5.904 1.00 0.00 C ATOM 355 O ALA A 25 7.540 -11.224 -6.815 1.00 0.00 O ATOM 356 CB ALA A 25 10.597 -10.498 -6.840 1.00 0.00 C ATOM 0 H ALA A 25 10.833 -9.012 -4.998 1.00 0.00 H new ATOM 0 HA ALA A 25 8.893 -9.131 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.285 -11.104 -7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.304 -9.739 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.075 -11.135 -6.096 1.00 0.00 H new ATOM 362 N TYR A 26 8.137 -11.342 -4.666 1.00 0.00 N ATOM 363 CA TYR A 26 7.068 -12.269 -4.299 1.00 0.00 C ATOM 364 C TYR A 26 5.780 -11.485 -4.035 1.00 0.00 C ATOM 365 O TYR A 26 4.680 -11.903 -4.407 1.00 0.00 O ATOM 366 CB TYR A 26 7.457 -13.061 -3.041 1.00 0.00 C ATOM 367 CG TYR A 26 8.628 -14.016 -3.199 1.00 0.00 C ATOM 368 CD1 TYR A 26 9.939 -13.524 -3.354 1.00 0.00 C ATOM 369 CD2 TYR A 26 8.413 -15.409 -3.147 1.00 0.00 C ATOM 370 CE1 TYR A 26 11.024 -14.406 -3.481 1.00 0.00 C ATOM 371 CE2 TYR A 26 9.498 -16.300 -3.244 1.00 0.00 C ATOM 372 CZ TYR A 26 10.809 -15.797 -3.406 1.00 0.00 C ATOM 373 OH TYR A 26 11.878 -16.629 -3.452 1.00 0.00 O ATOM 0 H TYR A 26 8.754 -11.096 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 26 6.909 -12.969 -5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.694 -12.353 -2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.589 -13.631 -2.710 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.111 -12.458 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.410 -15.794 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.021 -14.020 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.329 -17.366 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 26 11.572 -17.558 -3.388 1.00 0.00 H new ATOM 382 N ASN A 27 5.915 -10.294 -3.444 1.00 0.00 N ATOM 383 CA ASN A 27 4.834 -9.358 -3.195 1.00 0.00 C ATOM 384 C ASN A 27 4.386 -8.755 -4.518 1.00 0.00 C ATOM 385 O ASN A 27 3.217 -8.406 -4.687 1.00 0.00 O ATOM 386 CB ASN A 27 5.359 -8.290 -2.245 1.00 0.00 C ATOM 387 CG ASN A 27 4.442 -7.094 -2.079 1.00 0.00 C ATOM 388 OD1 ASN A 27 4.004 -6.828 -0.867 1.00 0.00 O flip ATOM 389 ND2 ASN A 27 4.221 -6.318 -2.997 1.00 0.00 N flip ATOM 0 H ASN A 27 6.818 -9.950 -3.117 1.00 0.00 H new ATOM 0 HA ASN A 27 3.972 -9.849 -2.743 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.528 -8.742 -1.267 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.327 -7.943 -2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.562 -6.527 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.696 -5.461 -2.825 1.00 0.00 H new ATOM 395 N SER A 28 5.321 -8.734 -5.468 1.00 0.00 N ATOM 396 CA SER A 28 5.149 -8.199 -6.802 1.00 0.00 C ATOM 397 C SER A 28 4.001 -8.878 -7.560 1.00 0.00 C ATOM 398 O SER A 28 3.534 -8.347 -8.572 1.00 0.00 O ATOM 399 CB SER A 28 6.465 -8.256 -7.583 1.00 0.00 C ATOM 400 OG SER A 28 6.458 -7.520 -8.795 1.00 0.00 O ATOM 0 H SER A 28 6.257 -9.108 -5.313 1.00 0.00 H new ATOM 0 HA SER A 28 4.866 -7.151 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.267 -7.880 -6.948 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.697 -9.298 -7.806 1.00 0.00 H new ATOM 0 HG SER A 28 5.966 -6.682 -8.666 1.00 0.00 H new ATOM 405 N SER A 29 3.499 -10.022 -7.086 1.00 0.00 N ATOM 406 CA SER A 29 2.171 -10.473 -7.452 1.00 0.00 C ATOM 407 C SER A 29 1.238 -10.590 -6.261 1.00 0.00 C ATOM 408 O SER A 29 0.050 -10.355 -6.468 1.00 0.00 O ATOM 409 CB SER A 29 2.224 -11.773 -8.238 1.00 0.00 C ATOM 410 OG SER A 29 2.944 -12.761 -7.521 1.00 0.00 O ATOM 0 H SER A 29 3.997 -10.645 -6.450 1.00 0.00 H new ATOM 0 HA SER A 29 1.753 -9.701 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.212 -12.126 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.697 -11.601 -9.205 1.00 0.00 H new ATOM 0 HG SER A 29 2.966 -13.591 -8.041 1.00 0.00 H new ATOM 415 N GLU A 30 1.736 -10.906 -5.058 1.00 0.00 N ATOM 416 CA GLU A 30 0.885 -11.142 -3.906 1.00 0.00 C ATOM 417 C GLU A 30 0.053 -9.902 -3.597 1.00 0.00 C ATOM 418 O GLU A 30 -1.152 -9.888 -3.831 1.00 0.00 O ATOM 419 CB GLU A 30 1.685 -11.628 -2.683 1.00 0.00 C ATOM 420 CG GLU A 30 0.647 -12.126 -1.663 1.00 0.00 C ATOM 421 CD GLU A 30 1.101 -13.202 -0.678 1.00 0.00 C ATOM 422 OE1 GLU A 30 1.283 -14.380 -1.070 1.00 0.00 O ATOM 423 OE2 GLU A 30 1.115 -12.908 0.537 1.00 0.00 O ATOM 0 H GLU A 30 2.733 -11.002 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 30 0.198 -11.951 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.373 -12.427 -2.960 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.286 -10.820 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.298 -11.268 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.211 -12.512 -2.214 1.00 0.00 H new ATOM 428 N LEU A 31 0.686 -8.824 -3.131 1.00 0.00 N ATOM 429 CA LEU A 31 0.014 -7.575 -2.817 1.00 0.00 C ATOM 430 C LEU A 31 -0.739 -7.031 -4.021 1.00 0.00 C ATOM 431 O LEU A 31 -1.803 -6.437 -3.869 1.00 0.00 O ATOM 432 CB LEU A 31 1.077 -6.578 -2.360 1.00 0.00 C ATOM 433 CG LEU A 31 0.529 -5.212 -1.940 1.00 0.00 C ATOM 434 CD1 LEU A 31 -0.385 -5.387 -0.738 1.00 0.00 C ATOM 435 CD2 LEU A 31 1.656 -4.241 -1.576 1.00 0.00 C ATOM 0 H LEU A 31 1.691 -8.800 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.722 -7.742 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.624 -7.009 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.794 -6.435 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.022 -4.794 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.778 -4.416 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.212 -6.047 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.178 -5.824 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.229 -3.282 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.234 -4.649 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.307 -4.100 -2.438 1.00 0.00 H new ATOM 446 N LYS A 32 -0.197 -7.231 -5.223 1.00 0.00 N ATOM 447 CA LYS A 32 -0.852 -6.817 -6.450 1.00 0.00 C ATOM 448 C LYS A 32 -2.225 -7.482 -6.565 1.00 0.00 C ATOM 449 O LYS A 32 -3.205 -6.774 -6.790 1.00 0.00 O ATOM 450 CB LYS A 32 0.086 -7.122 -7.644 1.00 0.00 C ATOM 451 CG LYS A 32 -0.167 -6.084 -8.755 1.00 0.00 C ATOM 452 CD LYS A 32 0.816 -6.192 -9.932 1.00 0.00 C ATOM 453 CE LYS A 32 0.188 -6.949 -11.108 1.00 0.00 C ATOM 454 NZ LYS A 32 1.168 -7.228 -12.176 1.00 0.00 N ATOM 0 H LYS A 32 0.706 -7.684 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.039 -5.743 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.127 -7.086 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.097 -8.129 -8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.184 -6.205 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.101 -5.083 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.113 -5.194 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.722 -6.705 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.234 -7.888 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.636 -6.364 -11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.701 -7.741 -12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.553 -6.332 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.942 -7.808 -11.794 1.00 0.00 H new ATOM 464 N GLU A 33 -2.323 -8.800 -6.386 1.00 0.00 N ATOM 465 CA GLU A 33 -3.588 -9.529 -6.418 1.00 0.00 C ATOM 466 C GLU A 33 -4.457 -9.104 -5.244 1.00 0.00 C ATOM 467 O GLU A 33 -5.613 -8.725 -5.425 1.00 0.00 O ATOM 468 CB GLU A 33 -3.363 -11.047 -6.371 1.00 0.00 C ATOM 469 CG GLU A 33 -3.247 -11.625 -7.781 1.00 0.00 C ATOM 470 CD GLU A 33 -3.122 -13.146 -7.722 1.00 0.00 C ATOM 471 OE1 GLU A 33 -4.178 -13.829 -7.735 1.00 0.00 O ATOM 472 OE2 GLU A 33 -1.982 -13.657 -7.691 1.00 0.00 O ATOM 0 H GLU A 33 -1.515 -9.397 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.090 -9.290 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.456 -11.267 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.189 -11.525 -5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.123 -11.348 -8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.378 -11.201 -8.285 1.00 0.00 H new ATOM 477 N GLN A 34 -3.890 -9.135 -4.040 1.00 0.00 N ATOM 478 CA GLN A 34 -4.561 -8.944 -2.770 1.00 0.00 C ATOM 479 C GLN A 34 -5.033 -7.501 -2.577 1.00 0.00 C ATOM 480 O GLN A 34 -5.564 -7.167 -1.516 1.00 0.00 O ATOM 481 CB GLN A 34 -3.593 -9.378 -1.668 1.00 0.00 C ATOM 482 CG GLN A 34 -3.165 -10.854 -1.783 1.00 0.00 C ATOM 483 CD GLN A 34 -4.189 -11.809 -1.191 1.00 0.00 C ATOM 484 OE1 GLN A 34 -5.312 -11.911 -1.671 1.00 0.00 O ATOM 485 NE2 GLN A 34 -3.838 -12.510 -0.129 1.00 0.00 N ATOM 0 H GLN A 34 -2.891 -9.305 -3.926 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.466 -9.550 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.706 -8.745 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.062 -9.217 -0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.007 -11.102 -2.833 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.210 -10.992 -1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.899 -12.414 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.505 -13.148 0.304 1.00 0.00 H new ATOM 492 N LEU A 35 -4.803 -6.632 -3.562 1.00 0.00 N ATOM 493 CA LEU A 35 -5.334 -5.285 -3.624 1.00 0.00 C ATOM 494 C LEU A 35 -6.230 -5.149 -4.816 1.00 0.00 C ATOM 495 O LEU A 35 -7.253 -4.537 -4.631 1.00 0.00 O ATOM 496 CB LEU A 35 -4.258 -4.243 -3.814 1.00 0.00 C ATOM 497 CG LEU A 35 -3.486 -3.889 -2.538 1.00 0.00 C ATOM 498 CD1 LEU A 35 -2.260 -3.020 -2.795 1.00 0.00 C ATOM 499 CD2 LEU A 35 -4.388 -3.137 -1.545 1.00 0.00 C ATOM 0 H LEU A 35 -4.219 -6.864 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.851 -5.125 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.552 -4.600 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.714 -3.336 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.156 -4.844 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.760 -2.807 -1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.573 -3.547 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.569 -2.084 -3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.819 -2.896 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.747 -2.216 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.238 -3.765 -1.278 1.00 0.00 H new ATOM 510 N ARG A 36 -5.915 -5.630 -6.020 1.00 0.00 N ATOM 511 CA ARG A 36 -6.847 -5.437 -7.135 1.00 0.00 C ATOM 512 C ARG A 36 -8.132 -6.234 -6.897 1.00 0.00 C ATOM 513 O ARG A 36 -9.232 -5.723 -7.100 1.00 0.00 O ATOM 514 CB ARG A 36 -6.165 -5.747 -8.473 1.00 0.00 C ATOM 515 CG ARG A 36 -5.768 -7.217 -8.655 1.00 0.00 C ATOM 516 CD ARG A 36 -4.841 -7.390 -9.866 1.00 0.00 C ATOM 517 NE ARG A 36 -5.228 -8.534 -10.705 1.00 0.00 N ATOM 518 CZ ARG A 36 -4.537 -9.047 -11.726 1.00 0.00 C ATOM 519 NH1 ARG A 36 -3.328 -8.589 -12.039 1.00 0.00 N ATOM 520 NH2 ARG A 36 -5.074 -10.022 -12.440 1.00 0.00 N ATOM 0 H ARG A 36 -5.058 -6.136 -6.245 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.143 -4.389 -7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.835 -5.461 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.272 -5.128 -8.564 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.268 -7.577 -7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.663 -7.825 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.857 -6.480 -10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.816 -7.526 -9.520 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.117 -8.982 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.913 -7.833 -11.495 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.816 -8.994 -12.823 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.004 -10.372 -12.208 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.559 -10.424 -13.223 1.00 0.00 H new ATOM 531 N ASN A 37 -8.000 -7.462 -6.390 1.00 0.00 N ATOM 532 CA ASN A 37 -9.130 -8.319 -6.076 1.00 0.00 C ATOM 533 C ASN A 37 -9.811 -7.828 -4.801 1.00 0.00 C ATOM 534 O ASN A 37 -11.033 -7.873 -4.687 1.00 0.00 O ATOM 535 CB ASN A 37 -8.660 -9.773 -5.923 1.00 0.00 C ATOM 536 CG ASN A 37 -9.844 -10.694 -5.664 1.00 0.00 C ATOM 537 OD1 ASN A 37 -10.815 -10.702 -6.419 1.00 0.00 O ATOM 538 ND2 ASN A 37 -9.774 -11.522 -4.641 1.00 0.00 N ATOM 0 H ASN A 37 -7.095 -7.887 -6.187 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.853 -8.279 -6.891 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.137 -10.089 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.948 -9.846 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.532 -12.182 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.962 -11.503 -4.024 1.00 0.00 H new ATOM 544 N PHE A 38 -9.044 -7.295 -3.844 1.00 0.00 N ATOM 545 CA PHE A 38 -9.625 -6.688 -2.668 1.00 0.00 C ATOM 546 C PHE A 38 -10.365 -5.418 -3.030 1.00 0.00 C ATOM 547 O PHE A 38 -11.453 -5.234 -2.501 1.00 0.00 O ATOM 548 CB PHE A 38 -8.566 -6.405 -1.619 1.00 0.00 C ATOM 549 CG PHE A 38 -9.012 -5.524 -0.475 1.00 0.00 C ATOM 550 CD1 PHE A 38 -9.666 -6.099 0.627 1.00 0.00 C ATOM 551 CD2 PHE A 38 -8.759 -4.139 -0.502 1.00 0.00 C ATOM 552 CE1 PHE A 38 -10.107 -5.283 1.681 1.00 0.00 C ATOM 553 CE2 PHE A 38 -9.164 -3.329 0.573 1.00 0.00 C ATOM 554 CZ PHE A 38 -9.839 -3.906 1.663 1.00 0.00 C ATOM 0 H PHE A 38 -8.025 -7.277 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.339 -7.395 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.219 -7.354 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.711 -5.936 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.829 -7.166 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.254 -3.699 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.653 -5.716 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.958 -2.269 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.153 -3.286 2.490 1.00 0.00 H new ATOM 563 N ILE A 39 -9.804 -4.556 -3.880 1.00 0.00 N ATOM 564 CA ILE A 39 -10.479 -3.364 -4.393 1.00 0.00 C ATOM 565 C ILE A 39 -11.815 -3.717 -5.048 1.00 0.00 C ATOM 566 O ILE A 39 -12.799 -3.039 -4.762 1.00 0.00 O ATOM 567 CB ILE A 39 -9.522 -2.587 -5.319 1.00 0.00 C ATOM 568 CG1 ILE A 39 -8.634 -1.700 -4.414 1.00 0.00 C ATOM 569 CG2 ILE A 39 -10.212 -1.735 -6.398 1.00 0.00 C ATOM 570 CD1 ILE A 39 -7.323 -1.262 -5.063 1.00 0.00 C ATOM 0 H ILE A 39 -8.855 -4.669 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.734 -2.703 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.942 -3.316 -5.885 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.199 -0.813 -4.126 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.409 -2.245 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.457 -1.227 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.814 -2.378 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.855 -0.995 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.759 -0.644 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.735 -2.142 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.537 -0.687 -5.964 1.00 0.00 H new ATOM 581 N SER A 40 -11.865 -4.757 -5.881 1.00 0.00 N ATOM 582 CA SER A 40 -13.105 -5.254 -6.471 1.00 0.00 C ATOM 583 C SER A 40 -14.158 -5.466 -5.367 1.00 0.00 C ATOM 584 O SER A 40 -15.287 -4.983 -5.481 1.00 0.00 O ATOM 585 CB SER A 40 -12.747 -6.518 -7.269 1.00 0.00 C ATOM 586 OG SER A 40 -13.843 -7.241 -7.799 1.00 0.00 O ATOM 0 H SER A 40 -11.038 -5.281 -6.167 1.00 0.00 H new ATOM 0 HA SER A 40 -13.562 -4.544 -7.160 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.092 -6.232 -8.092 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.175 -7.184 -6.623 1.00 0.00 H new ATOM 0 HG SER A 40 -13.513 -8.023 -8.289 1.00 0.00 H new ATOM 591 N THR A 41 -13.788 -6.121 -4.267 1.00 0.00 N ATOM 592 CA THR A 41 -14.683 -6.424 -3.177 1.00 0.00 C ATOM 593 C THR A 41 -14.969 -5.203 -2.290 1.00 0.00 C ATOM 594 O THR A 41 -16.127 -5.015 -1.895 1.00 0.00 O ATOM 595 CB THR A 41 -14.064 -7.600 -2.425 1.00 0.00 C ATOM 596 OG1 THR A 41 -14.014 -8.693 -3.318 1.00 0.00 O ATOM 597 CG2 THR A 41 -14.877 -7.970 -1.183 1.00 0.00 C ATOM 0 H THR A 41 -12.837 -6.458 -4.116 1.00 0.00 H new ATOM 0 HA THR A 41 -15.671 -6.700 -3.547 1.00 0.00 H new ATOM 0 HB THR A 41 -13.067 -7.328 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.619 -9.467 -2.866 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.404 -8.811 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.919 -7.116 -0.508 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.888 -8.248 -1.480 1.00 0.00 H new ATOM 605 N THR A 42 -13.957 -4.412 -1.913 1.00 0.00 N ATOM 606 CA THR A 42 -14.020 -3.561 -0.728 1.00 0.00 C ATOM 607 C THR A 42 -15.167 -2.568 -0.824 1.00 0.00 C ATOM 608 O THR A 42 -15.403 -1.924 -1.849 1.00 0.00 O ATOM 609 CB THR A 42 -12.661 -2.907 -0.425 1.00 0.00 C ATOM 610 OG1 THR A 42 -12.675 -2.228 0.817 1.00 0.00 O ATOM 611 CG2 THR A 42 -12.216 -1.890 -1.469 1.00 0.00 C ATOM 0 H THR A 42 -13.076 -4.347 -2.422 1.00 0.00 H new ATOM 0 HA THR A 42 -14.239 -4.191 0.134 1.00 0.00 H new ATOM 0 HB THR A 42 -11.963 -3.745 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.480 -2.478 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.250 -1.474 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.128 -2.379 -2.439 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.952 -1.088 -1.532 1.00 0.00 H new ATOM 619 N SER A 43 -15.905 -2.473 0.272 1.00 0.00 N ATOM 620 CA SER A 43 -17.155 -1.745 0.397 1.00 0.00 C ATOM 621 C SER A 43 -16.895 -0.252 0.666 1.00 0.00 C ATOM 622 O SER A 43 -17.795 0.586 0.553 1.00 0.00 O ATOM 623 CB SER A 43 -17.941 -2.524 1.467 1.00 0.00 C ATOM 624 OG SER A 43 -18.643 -1.744 2.415 1.00 0.00 O ATOM 0 H SER A 43 -15.632 -2.927 1.144 1.00 0.00 H new ATOM 0 HA SER A 43 -17.757 -1.702 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.655 -3.175 0.962 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.244 -3.169 2.002 1.00 0.00 H new ATOM 0 HG SER A 43 -19.107 -2.334 3.045 1.00 0.00 H new ATOM 629 N LYS A 44 -15.646 0.102 0.972 1.00 0.00 N ATOM 630 CA LYS A 44 -15.168 1.433 1.321 1.00 0.00 C ATOM 631 C LYS A 44 -14.173 1.893 0.277 1.00 0.00 C ATOM 632 O LYS A 44 -13.857 1.153 -0.655 1.00 0.00 O ATOM 633 CB LYS A 44 -14.649 1.384 2.765 1.00 0.00 C ATOM 634 CG LYS A 44 -15.772 1.788 3.743 1.00 0.00 C ATOM 635 CD LYS A 44 -16.791 0.696 4.093 1.00 0.00 C ATOM 636 CE LYS A 44 -16.375 0.028 5.407 1.00 0.00 C ATOM 637 NZ LYS A 44 -17.261 -1.032 5.907 1.00 0.00 N ATOM 0 H LYS A 44 -14.892 -0.585 0.982 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.954 2.189 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.295 0.380 2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.798 2.056 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.312 2.136 4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.310 2.634 3.316 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -17.787 1.128 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.840 -0.044 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.378 -0.393 5.276 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.298 0.799 6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.881 -1.410 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.210 -0.641 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.319 -1.796 5.204 1.00 0.00 H new ATOM 647 N LYS A 45 -13.786 3.162 0.346 1.00 0.00 N ATOM 648 CA LYS A 45 -13.040 3.813 -0.724 1.00 0.00 C ATOM 649 C LYS A 45 -11.696 4.334 -0.293 1.00 0.00 C ATOM 650 O LYS A 45 -10.804 4.367 -1.135 1.00 0.00 O ATOM 651 CB LYS A 45 -13.853 4.970 -1.303 1.00 0.00 C ATOM 652 CG LYS A 45 -14.914 4.445 -2.264 1.00 0.00 C ATOM 653 CD LYS A 45 -15.553 5.618 -3.022 1.00 0.00 C ATOM 654 CE LYS A 45 -16.537 5.154 -4.096 1.00 0.00 C ATOM 655 NZ LYS A 45 -17.750 4.514 -3.542 1.00 0.00 N ATOM 0 H LYS A 45 -13.980 3.767 1.144 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.864 3.043 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.328 5.529 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.192 5.663 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.465 3.745 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.678 3.896 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.071 6.265 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.769 6.217 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.832 6.010 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.034 4.450 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.375 4.223 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.478 3.679 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.251 5.190 -2.930 1.00 0.00 H new ATOM 665 N LYS A 46 -11.520 4.760 0.958 1.00 0.00 N ATOM 666 CA LYS A 46 -10.220 5.329 1.332 1.00 0.00 C ATOM 667 C LYS A 46 -9.249 4.193 1.580 1.00 0.00 C ATOM 668 O LYS A 46 -9.283 3.652 2.679 1.00 0.00 O ATOM 669 CB LYS A 46 -10.359 6.370 2.454 1.00 0.00 C ATOM 670 CG LYS A 46 -9.120 7.221 2.746 1.00 0.00 C ATOM 671 CD LYS A 46 -9.456 8.546 3.462 1.00 0.00 C ATOM 672 CE LYS A 46 -10.346 8.390 4.712 1.00 0.00 C ATOM 673 NZ LYS A 46 -10.318 9.569 5.606 1.00 0.00 N ATOM 0 H LYS A 46 -12.220 4.727 1.699 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.793 5.915 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.182 7.039 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.641 5.851 3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.428 6.647 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.607 7.440 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.525 9.033 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.956 9.209 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.373 8.207 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.023 7.512 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.110 9.514 6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.420 9.586 6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.404 10.437 5.039 1.00 0.00 H new ATOM 683 N ILE A 47 -8.483 3.749 0.571 1.00 0.00 N ATOM 684 CA ILE A 47 -7.668 2.555 0.738 1.00 0.00 C ATOM 685 C ILE A 47 -6.373 3.046 1.378 1.00 0.00 C ATOM 686 O ILE A 47 -5.587 3.761 0.753 1.00 0.00 O ATOM 687 CB ILE A 47 -7.456 1.777 -0.576 1.00 0.00 C ATOM 688 CG1 ILE A 47 -8.720 1.611 -1.460 1.00 0.00 C ATOM 689 CG2 ILE A 47 -6.858 0.390 -0.274 1.00 0.00 C ATOM 690 CD1 ILE A 47 -9.943 0.973 -0.794 1.00 0.00 C ATOM 0 H ILE A 47 -8.417 4.193 -0.345 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.161 1.817 1.371 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.769 2.390 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.008 2.595 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.452 1.009 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.711 -0.154 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.900 0.509 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.540 -0.168 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.759 0.913 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.688 -0.029 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.253 1.581 0.056 1.00 0.00 H new ATOM 701 N VAL A 48 -6.221 2.761 2.662 1.00 0.00 N ATOM 702 CA VAL A 48 -5.101 3.203 3.481 1.00 0.00 C ATOM 703 C VAL A 48 -4.112 2.051 3.571 1.00 0.00 C ATOM 704 O VAL A 48 -4.538 0.924 3.785 1.00 0.00 O ATOM 705 CB VAL A 48 -5.616 3.589 4.883 1.00 0.00 C ATOM 706 CG1 VAL A 48 -4.616 4.517 5.543 1.00 0.00 C ATOM 707 CG2 VAL A 48 -6.972 4.313 4.879 1.00 0.00 C ATOM 0 H VAL A 48 -6.895 2.198 3.180 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.614 4.075 3.045 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.742 2.649 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.975 4.793 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.655 4.011 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.498 5.415 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.262 4.549 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.890 5.235 4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.727 3.669 4.428 1.00 0.00 H new ATOM 717 N LEU A 49 -2.816 2.303 3.417 1.00 0.00 N ATOM 718 CA LEU A 49 -1.801 1.260 3.353 1.00 0.00 C ATOM 719 C LEU A 49 -0.784 1.460 4.459 1.00 0.00 C ATOM 720 O LEU A 49 -0.008 2.388 4.373 1.00 0.00 O ATOM 721 CB LEU A 49 -1.141 1.245 1.966 1.00 0.00 C ATOM 722 CG LEU A 49 -1.672 0.273 0.900 1.00 0.00 C ATOM 723 CD1 LEU A 49 -1.556 -1.195 1.321 1.00 0.00 C ATOM 724 CD2 LEU A 49 -3.087 0.638 0.465 1.00 0.00 C ATOM 0 H LEU A 49 -2.438 3.247 3.332 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.270 0.287 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.211 2.253 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.082 1.032 2.108 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.026 0.384 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.947 -1.833 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.509 -1.440 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.129 -1.358 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.430 -0.070 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.753 0.602 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.091 1.644 0.046 1.00 0.00 H new ATOM 735 N ASP A 50 -0.776 0.628 5.492 1.00 0.00 N ATOM 736 CA ASP A 50 0.072 0.737 6.684 1.00 0.00 C ATOM 737 C ASP A 50 1.386 -0.012 6.443 1.00 0.00 C ATOM 738 O ASP A 50 1.326 -1.231 6.254 1.00 0.00 O ATOM 739 CB ASP A 50 -0.674 0.104 7.875 1.00 0.00 C ATOM 740 CG ASP A 50 -0.717 0.930 9.160 1.00 0.00 C ATOM 741 OD1 ASP A 50 0.020 1.922 9.313 1.00 0.00 O ATOM 742 OD2 ASP A 50 -1.522 0.594 10.057 1.00 0.00 O ATOM 0 H ASP A 50 -1.391 -0.185 5.528 1.00 0.00 H new ATOM 0 HA ASP A 50 0.291 1.783 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.699 -0.103 7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.209 -0.856 8.100 1.00 0.00 H new ATOM 746 N LEU A 51 2.563 0.636 6.419 1.00 0.00 N ATOM 747 CA LEU A 51 3.829 -0.042 6.162 1.00 0.00 C ATOM 748 C LEU A 51 4.637 -0.313 7.431 1.00 0.00 C ATOM 749 O LEU A 51 5.841 -0.548 7.359 1.00 0.00 O ATOM 750 CB LEU A 51 4.615 0.692 5.065 1.00 0.00 C ATOM 751 CG LEU A 51 3.989 0.700 3.654 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.555 -0.677 3.129 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.783 1.607 3.486 1.00 0.00 C ATOM 0 H LEU A 51 2.656 1.639 6.577 1.00 0.00 H new ATOM 0 HA LEU A 51 3.604 -1.038 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.756 1.726 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.605 0.242 4.996 1.00 0.00 H new ATOM 0 HG LEU A 51 4.830 1.081 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.128 -0.568 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.420 -1.338 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.808 -1.103 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.418 1.541 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.995 1.296 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.069 2.636 3.704 1.00 0.00 H new ATOM 764 N SER A 52 3.990 -0.354 8.597 1.00 0.00 N ATOM 765 CA SER A 52 4.637 -0.498 9.895 1.00 0.00 C ATOM 766 C SER A 52 5.485 -1.773 9.997 1.00 0.00 C ATOM 767 O SER A 52 6.455 -1.840 10.759 1.00 0.00 O ATOM 768 CB SER A 52 3.546 -0.503 10.973 1.00 0.00 C ATOM 769 OG SER A 52 2.526 -1.430 10.637 1.00 0.00 O ATOM 0 H SER A 52 2.974 -0.286 8.662 1.00 0.00 H new ATOM 0 HA SER A 52 5.322 0.338 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.980 -0.764 11.938 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.121 0.495 11.074 1.00 0.00 H new ATOM 0 HG SER A 52 2.457 -2.109 11.340 1.00 0.00 H new ATOM 774 N SER A 53 5.108 -2.821 9.266 1.00 0.00 N ATOM 775 CA SER A 53 5.822 -4.094 9.243 1.00 0.00 C ATOM 776 C SER A 53 6.808 -4.159 8.072 1.00 0.00 C ATOM 777 O SER A 53 7.740 -4.970 8.090 1.00 0.00 O ATOM 778 CB SER A 53 4.786 -5.226 9.219 1.00 0.00 C ATOM 779 OG SER A 53 4.811 -5.965 10.428 1.00 0.00 O ATOM 0 H SER A 53 4.285 -2.808 8.664 1.00 0.00 H new ATOM 0 HA SER A 53 6.433 -4.202 10.139 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.791 -4.809 9.064 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.988 -5.890 8.379 1.00 0.00 H new ATOM 0 HG SER A 53 4.141 -6.679 10.389 1.00 0.00 H new ATOM 784 N VAL A 54 6.643 -3.305 7.063 1.00 0.00 N ATOM 785 CA VAL A 54 7.431 -3.380 5.855 1.00 0.00 C ATOM 786 C VAL A 54 8.794 -2.777 6.143 1.00 0.00 C ATOM 787 O VAL A 54 8.956 -1.569 6.321 1.00 0.00 O ATOM 788 CB VAL A 54 6.716 -2.730 4.672 1.00 0.00 C ATOM 789 CG1 VAL A 54 7.542 -3.005 3.418 1.00 0.00 C ATOM 790 CG2 VAL A 54 5.297 -3.300 4.513 1.00 0.00 C ATOM 0 H VAL A 54 5.959 -2.548 7.069 1.00 0.00 H new ATOM 0 HA VAL A 54 7.569 -4.419 5.556 1.00 0.00 H new ATOM 0 HB VAL A 54 6.621 -1.657 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.055 -2.552 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.538 -2.579 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.624 -4.081 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.806 -2.823 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.354 -4.375 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.724 -3.107 5.420 1.00 0.00 H new ATOM 800 N SER A 55 9.776 -3.661 6.233 1.00 0.00 N ATOM 801 CA SER A 55 11.090 -3.350 6.750 1.00 0.00 C ATOM 802 C SER A 55 12.168 -3.316 5.666 1.00 0.00 C ATOM 803 O SER A 55 13.211 -2.700 5.863 1.00 0.00 O ATOM 804 CB SER A 55 11.391 -4.429 7.765 1.00 0.00 C ATOM 805 OG SER A 55 10.478 -4.402 8.861 1.00 0.00 O ATOM 0 H SER A 55 9.675 -4.633 5.941 1.00 0.00 H new ATOM 0 HA SER A 55 11.095 -2.351 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.347 -5.405 7.281 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.408 -4.303 8.137 1.00 0.00 H new ATOM 0 HG SER A 55 9.579 -4.630 8.544 1.00 0.00 H new ATOM 810 N TYR A 56 11.912 -3.938 4.522 1.00 0.00 N ATOM 811 CA TYR A 56 12.687 -3.842 3.298 1.00 0.00 C ATOM 812 C TYR A 56 11.684 -3.562 2.199 1.00 0.00 C ATOM 813 O TYR A 56 10.544 -4.022 2.290 1.00 0.00 O ATOM 814 CB TYR A 56 13.448 -5.164 3.056 1.00 0.00 C ATOM 815 CG TYR A 56 13.974 -5.431 1.645 1.00 0.00 C ATOM 816 CD1 TYR A 56 13.097 -5.725 0.571 1.00 0.00 C ATOM 817 CD2 TYR A 56 15.361 -5.460 1.415 1.00 0.00 C ATOM 818 CE1 TYR A 56 13.596 -5.965 -0.724 1.00 0.00 C ATOM 819 CE2 TYR A 56 15.865 -5.816 0.150 1.00 0.00 C ATOM 820 CZ TYR A 56 14.986 -6.066 -0.926 1.00 0.00 C ATOM 821 OH TYR A 56 15.454 -6.433 -2.152 1.00 0.00 O ATOM 0 H TYR A 56 11.109 -4.559 4.421 1.00 0.00 H new ATOM 0 HA TYR A 56 13.439 -3.054 3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.295 -5.194 3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.787 -5.987 3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.032 -5.766 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.043 -5.208 2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.917 -6.071 -1.557 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.932 -5.898 0.001 1.00 0.00 H new ATOM 0 HH TYR A 56 16.434 -6.457 -2.134 1.00 0.00 H new ATOM 830 N MET A 57 12.128 -2.843 1.174 1.00 0.00 N ATOM 831 CA MET A 57 11.426 -2.652 -0.074 1.00 0.00 C ATOM 832 C MET A 57 12.480 -2.583 -1.167 1.00 0.00 C ATOM 833 O MET A 57 13.622 -2.190 -0.912 1.00 0.00 O ATOM 834 CB MET A 57 10.587 -1.370 0.030 1.00 0.00 C ATOM 835 CG MET A 57 9.751 -0.989 -1.196 1.00 0.00 C ATOM 836 SD MET A 57 8.743 0.495 -0.922 1.00 0.00 S ATOM 837 CE MET A 57 7.428 0.153 -2.102 1.00 0.00 C ATOM 0 H MET A 57 13.026 -2.360 1.199 1.00 0.00 H new ATOM 0 HA MET A 57 10.738 -3.465 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.914 -1.473 0.881 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.259 -0.542 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.414 -0.821 -2.045 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.100 -1.822 -1.460 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.026 1.093 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.826 -0.432 -2.931 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.635 -0.409 -1.610 1.00 0.00 H new ATOM 845 N ASP A 58 12.083 -2.939 -2.381 1.00 0.00 N ATOM 846 CA ASP A 58 12.861 -2.853 -3.597 1.00 0.00 C ATOM 847 C ASP A 58 11.986 -2.227 -4.685 1.00 0.00 C ATOM 848 O ASP A 58 10.817 -1.902 -4.452 1.00 0.00 O ATOM 849 CB ASP A 58 13.349 -4.260 -3.960 1.00 0.00 C ATOM 850 CG ASP A 58 14.341 -4.266 -5.114 1.00 0.00 C ATOM 851 OD1 ASP A 58 15.259 -3.415 -5.114 1.00 0.00 O ATOM 852 OD2 ASP A 58 14.182 -5.079 -6.049 1.00 0.00 O ATOM 0 H ASP A 58 11.151 -3.318 -2.547 1.00 0.00 H new ATOM 0 HA ASP A 58 13.741 -2.221 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.815 -4.714 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.491 -4.880 -4.222 1.00 0.00 H new ATOM 856 N SER A 59 12.533 -2.053 -5.882 1.00 0.00 N ATOM 857 CA SER A 59 11.814 -1.445 -7.007 1.00 0.00 C ATOM 858 C SER A 59 10.565 -2.242 -7.430 1.00 0.00 C ATOM 859 O SER A 59 9.661 -1.680 -8.056 1.00 0.00 O ATOM 860 CB SER A 59 12.772 -1.228 -8.179 1.00 0.00 C ATOM 861 OG SER A 59 13.620 -0.123 -7.914 1.00 0.00 O ATOM 0 H SER A 59 13.489 -2.328 -6.106 1.00 0.00 H new ATOM 0 HA SER A 59 11.439 -0.478 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.370 -2.125 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.206 -1.052 -9.094 1.00 0.00 H new ATOM 0 HG SER A 59 14.232 0.008 -8.668 1.00 0.00 H new ATOM 866 N ALA A 60 10.458 -3.509 -7.021 1.00 0.00 N ATOM 867 CA ALA A 60 9.270 -4.318 -7.220 1.00 0.00 C ATOM 868 C ALA A 60 8.081 -3.709 -6.487 1.00 0.00 C ATOM 869 O ALA A 60 6.991 -3.639 -7.049 1.00 0.00 O ATOM 870 CB ALA A 60 9.540 -5.740 -6.728 1.00 0.00 C ATOM 0 H ALA A 60 11.209 -4.001 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 60 9.027 -4.349 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.650 -6.351 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.371 -6.168 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.792 -5.716 -5.668 1.00 0.00 H new ATOM 876 N GLY A 61 8.283 -3.260 -5.248 1.00 0.00 N ATOM 877 CA GLY A 61 7.251 -2.767 -4.352 1.00 0.00 C ATOM 878 C GLY A 61 6.521 -1.588 -4.963 1.00 0.00 C ATOM 879 O GLY A 61 5.297 -1.564 -5.064 1.00 0.00 O ATOM 0 H GLY A 61 9.212 -3.231 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.542 -3.565 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.699 -2.470 -3.404 1.00 0.00 H new ATOM 883 N LEU A 62 7.288 -0.579 -5.365 1.00 0.00 N ATOM 884 CA LEU A 62 6.752 0.668 -5.891 1.00 0.00 C ATOM 885 C LEU A 62 6.123 0.419 -7.252 1.00 0.00 C ATOM 886 O LEU A 62 5.016 0.893 -7.487 1.00 0.00 O ATOM 887 CB LEU A 62 7.798 1.793 -5.949 1.00 0.00 C ATOM 888 CG LEU A 62 9.270 1.381 -6.149 1.00 0.00 C ATOM 889 CD1 LEU A 62 10.064 2.448 -6.894 1.00 0.00 C ATOM 890 CD2 LEU A 62 9.941 1.143 -4.793 1.00 0.00 C ATOM 0 H LEU A 62 8.307 -0.606 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 62 5.985 1.017 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.523 2.467 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.731 2.364 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 62 9.265 0.466 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.096 2.117 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.620 2.613 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.045 3.378 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.980 0.853 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.904 2.059 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.417 0.348 -4.262 1.00 0.00 H new ATOM 901 N GLY A 63 6.779 -0.371 -8.103 1.00 0.00 N ATOM 902 CA GLY A 63 6.260 -0.820 -9.385 1.00 0.00 C ATOM 903 C GLY A 63 5.008 -1.696 -9.268 1.00 0.00 C ATOM 904 O GLY A 63 4.374 -1.958 -10.293 1.00 0.00 O ATOM 0 H GLY A 63 7.716 -0.724 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.028 0.051 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.037 -1.379 -9.906 1.00 0.00 H new ATOM 908 N THR A 64 4.633 -2.138 -8.066 1.00 0.00 N ATOM 909 CA THR A 64 3.468 -2.957 -7.763 1.00 0.00 C ATOM 910 C THR A 64 2.404 -2.080 -7.114 1.00 0.00 C ATOM 911 O THR A 64 1.230 -2.233 -7.438 1.00 0.00 O ATOM 912 CB THR A 64 3.920 -4.147 -6.897 1.00 0.00 C ATOM 913 OG1 THR A 64 4.734 -4.938 -7.733 1.00 0.00 O ATOM 914 CG2 THR A 64 2.792 -5.000 -6.311 1.00 0.00 C ATOM 0 H THR A 64 5.172 -1.917 -7.229 1.00 0.00 H new ATOM 0 HA THR A 64 3.013 -3.377 -8.660 1.00 0.00 H new ATOM 0 HB THR A 64 4.434 -3.755 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.647 -4.582 -7.733 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.218 -5.810 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.159 -4.380 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.194 -5.418 -7.121 1.00 0.00 H new ATOM 922 N LEU A 65 2.780 -1.112 -6.274 1.00 0.00 N ATOM 923 CA LEU A 65 1.839 -0.160 -5.700 1.00 0.00 C ATOM 924 C LEU A 65 1.301 0.769 -6.782 1.00 0.00 C ATOM 925 O LEU A 65 0.095 0.947 -6.846 1.00 0.00 O ATOM 926 CB LEU A 65 2.501 0.617 -4.557 1.00 0.00 C ATOM 927 CG LEU A 65 2.637 -0.213 -3.262 1.00 0.00 C ATOM 928 CD1 LEU A 65 3.700 0.405 -2.345 1.00 0.00 C ATOM 929 CD2 LEU A 65 1.310 -0.288 -2.494 1.00 0.00 C ATOM 0 H LEU A 65 3.745 -0.970 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 65 0.991 -0.701 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.490 0.948 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.917 1.513 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 65 2.930 -1.221 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.786 -0.190 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.660 0.421 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.410 1.423 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.446 -0.880 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.988 0.718 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.552 -0.755 -3.123 1.00 0.00 H new ATOM 940 N VAL A 66 2.137 1.308 -7.675 1.00 0.00 N ATOM 941 CA VAL A 66 1.718 2.267 -8.708 1.00 0.00 C ATOM 942 C VAL A 66 0.681 1.697 -9.690 1.00 0.00 C ATOM 943 O VAL A 66 -0.112 2.437 -10.274 1.00 0.00 O ATOM 944 CB VAL A 66 2.987 2.813 -9.380 1.00 0.00 C ATOM 945 CG1 VAL A 66 3.690 1.779 -10.250 1.00 0.00 C ATOM 946 CG2 VAL A 66 2.744 4.108 -10.167 1.00 0.00 C ATOM 0 H VAL A 66 3.133 1.090 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 66 1.178 3.093 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 66 3.655 3.056 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.579 2.224 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.980 0.925 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.014 1.447 -11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.679 4.441 -10.617 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.009 3.925 -10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.371 4.879 -9.493 1.00 0.00 H new ATOM 956 N VAL A 67 0.642 0.374 -9.836 1.00 0.00 N ATOM 957 CA VAL A 67 -0.431 -0.328 -10.541 1.00 0.00 C ATOM 958 C VAL A 67 -1.769 -0.046 -9.846 1.00 0.00 C ATOM 959 O VAL A 67 -2.764 0.250 -10.501 1.00 0.00 O ATOM 960 CB VAL A 67 -0.102 -1.837 -10.624 1.00 0.00 C ATOM 961 CG1 VAL A 67 -1.254 -2.682 -11.191 1.00 0.00 C ATOM 962 CG2 VAL A 67 1.130 -2.058 -11.510 1.00 0.00 C ATOM 0 H VAL A 67 1.361 -0.248 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.517 0.035 -11.565 1.00 0.00 H new ATOM 0 HB VAL A 67 0.080 -2.160 -9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.956 -3.730 -11.221 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.132 -2.573 -10.555 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.492 -2.343 -12.199 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.354 -3.123 -11.562 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.930 -1.679 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.983 -1.528 -11.086 1.00 0.00 H new ATOM 972 N ILE A 68 -1.785 -0.099 -8.518 1.00 0.00 N ATOM 973 CA ILE A 68 -2.968 0.049 -7.690 1.00 0.00 C ATOM 974 C ILE A 68 -3.482 1.490 -7.688 1.00 0.00 C ATOM 975 O ILE A 68 -4.654 1.690 -7.387 1.00 0.00 O ATOM 976 CB ILE A 68 -2.688 -0.460 -6.259 1.00 0.00 C ATOM 977 CG1 ILE A 68 -1.977 -1.829 -6.228 1.00 0.00 C ATOM 978 CG2 ILE A 68 -3.984 -0.524 -5.438 1.00 0.00 C ATOM 979 CD1 ILE A 68 -2.769 -3.021 -6.771 1.00 0.00 C ATOM 0 H ILE A 68 -0.938 -0.253 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.761 -0.564 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.007 0.263 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.051 -1.746 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.698 -2.046 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.761 -0.885 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.425 0.471 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.687 -1.203 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.164 -3.925 -6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.682 -3.146 -6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.026 -2.842 -7.815 1.00 0.00 H new ATOM 990 N LEU A 69 -2.674 2.498 -8.041 1.00 0.00 N ATOM 991 CA LEU A 69 -3.190 3.856 -8.234 1.00 0.00 C ATOM 992 C LEU A 69 -4.292 3.801 -9.292 1.00 0.00 C ATOM 993 O LEU A 69 -5.442 4.145 -9.014 1.00 0.00 O ATOM 994 CB LEU A 69 -2.048 4.818 -8.606 1.00 0.00 C ATOM 995 CG LEU A 69 -2.389 6.311 -8.409 1.00 0.00 C ATOM 996 CD1 LEU A 69 -1.079 7.107 -8.396 1.00 0.00 C ATOM 997 CD2 LEU A 69 -3.331 6.881 -9.475 1.00 0.00 C ATOM 0 H LEU A 69 -1.671 2.399 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.620 4.244 -7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.172 4.574 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.775 4.654 -9.648 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.924 6.399 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.298 8.166 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.449 6.757 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.558 6.965 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.522 7.934 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.870 6.784 -10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.272 6.332 -9.460 1.00 0.00 H new ATOM 1008 N LYS A 70 -3.955 3.277 -10.474 1.00 0.00 N ATOM 1009 CA LYS A 70 -4.925 2.930 -11.501 1.00 0.00 C ATOM 1010 C LYS A 70 -5.951 1.970 -10.932 1.00 0.00 C ATOM 1011 O LYS A 70 -7.115 2.333 -10.967 1.00 0.00 O ATOM 1012 CB LYS A 70 -4.210 2.463 -12.772 1.00 0.00 C ATOM 1013 CG LYS A 70 -5.127 1.838 -13.840 1.00 0.00 C ATOM 1014 CD LYS A 70 -5.051 2.561 -15.194 1.00 0.00 C ATOM 1015 CE LYS A 70 -5.480 1.609 -16.317 1.00 0.00 C ATOM 1016 NZ LYS A 70 -6.220 2.296 -17.396 1.00 0.00 N ATOM 0 H LYS A 70 -2.990 3.082 -10.741 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.496 3.804 -11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.691 3.314 -13.213 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.449 1.733 -12.496 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.855 0.791 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.156 1.855 -13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.696 3.440 -15.184 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.035 2.913 -15.372 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.597 1.128 -16.737 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.105 0.819 -15.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.486 1.607 -18.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.078 2.733 -17.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.617 3.032 -17.816 1.00 0.00 H new ATOM 1026 N ASP A 71 -5.607 0.782 -10.441 1.00 0.00 N ATOM 1027 CA ASP A 71 -6.617 -0.235 -10.155 1.00 0.00 C ATOM 1028 C ASP A 71 -7.675 0.250 -9.155 1.00 0.00 C ATOM 1029 O ASP A 71 -8.859 -0.045 -9.322 1.00 0.00 O ATOM 1030 CB ASP A 71 -5.996 -1.562 -9.711 1.00 0.00 C ATOM 1031 CG ASP A 71 -5.225 -2.319 -10.801 1.00 0.00 C ATOM 1032 OD1 ASP A 71 -5.030 -1.774 -11.912 1.00 0.00 O ATOM 1033 OD2 ASP A 71 -4.824 -3.483 -10.566 1.00 0.00 O ATOM 0 H ASP A 71 -4.648 0.501 -10.235 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.132 -0.418 -11.098 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.320 -1.368 -8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.789 -2.208 -9.334 1.00 0.00 H new ATOM 1037 N ALA A 72 -7.290 1.070 -8.172 1.00 0.00 N ATOM 1038 CA ALA A 72 -8.204 1.763 -7.278 1.00 0.00 C ATOM 1039 C ALA A 72 -9.126 2.670 -8.085 1.00 0.00 C ATOM 1040 O ALA A 72 -10.345 2.519 -7.999 1.00 0.00 O ATOM 1041 CB ALA A 72 -7.403 2.539 -6.231 1.00 0.00 C ATOM 0 H ALA A 72 -6.309 1.271 -7.977 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.832 1.045 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.088 3.059 -5.561 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.788 1.846 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.761 3.266 -6.729 1.00 0.00 H new ATOM 1047 N LYS A 73 -8.562 3.559 -8.906 1.00 0.00 N ATOM 1048 CA LYS A 73 -9.288 4.426 -9.832 1.00 0.00 C ATOM 1049 C LYS A 73 -10.276 3.641 -10.697 1.00 0.00 C ATOM 1050 O LYS A 73 -11.363 4.161 -10.955 1.00 0.00 O ATOM 1051 CB LYS A 73 -8.274 5.159 -10.724 1.00 0.00 C ATOM 1052 CG LYS A 73 -8.801 6.436 -11.379 1.00 0.00 C ATOM 1053 CD LYS A 73 -7.871 6.827 -12.539 1.00 0.00 C ATOM 1054 CE LYS A 73 -8.291 6.196 -13.870 1.00 0.00 C ATOM 1055 NZ LYS A 73 -9.517 6.807 -14.425 1.00 0.00 N ATOM 0 H LYS A 73 -7.552 3.698 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.869 5.141 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.399 5.410 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.940 4.477 -11.506 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.815 6.279 -11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.848 7.242 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.862 7.912 -12.643 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.852 6.521 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.479 6.300 -14.590 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.454 5.128 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.664 6.468 -15.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.334 6.541 -13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.417 7.842 -14.431 1.00 0.00 H new ATOM 1065 N ILE A 74 -9.955 2.418 -11.146 1.00 0.00 N ATOM 1066 CA ILE A 74 -10.849 1.608 -11.974 1.00 0.00 C ATOM 1067 C ILE A 74 -12.167 1.393 -11.225 1.00 0.00 C ATOM 1068 O ILE A 74 -13.226 1.476 -11.850 1.00 0.00 O ATOM 1069 CB ILE A 74 -10.210 0.267 -12.428 1.00 0.00 C ATOM 1070 CG1 ILE A 74 -8.853 0.505 -13.116 1.00 0.00 C ATOM 1071 CG2 ILE A 74 -11.129 -0.462 -13.421 1.00 0.00 C ATOM 1072 CD1 ILE A 74 -8.062 -0.737 -13.536 1.00 0.00 C ATOM 0 H ILE A 74 -9.064 1.965 -10.942 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.045 2.153 -12.897 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.067 -0.340 -11.534 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.025 1.114 -14.004 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.229 1.093 -12.442 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.664 -1.399 -13.727 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -12.087 -0.671 -12.944 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.290 0.166 -14.297 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.128 -0.431 -14.008 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.843 -1.343 -12.657 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.651 -1.322 -14.243 1.00 0.00 H new ATOM 1083 N ASN A 75 -12.129 1.206 -9.903 1.00 0.00 N ATOM 1084 CA ASN A 75 -13.329 1.041 -9.087 1.00 0.00 C ATOM 1085 C ASN A 75 -13.655 2.304 -8.279 1.00 0.00 C ATOM 1086 O ASN A 75 -14.364 2.213 -7.269 1.00 0.00 O ATOM 1087 CB ASN A 75 -13.174 -0.173 -8.164 1.00 0.00 C ATOM 1088 CG ASN A 75 -14.475 -0.926 -7.902 1.00 0.00 C ATOM 1089 OD1 ASN A 75 -14.436 -2.101 -7.583 1.00 0.00 O ATOM 1090 ND2 ASN A 75 -15.646 -0.304 -7.945 1.00 0.00 N ATOM 0 H ASN A 75 -11.261 1.165 -9.369 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.169 0.871 -9.761 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.451 -0.860 -8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.760 0.159 -7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.501 -0.810 -7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.691 0.680 -8.211 1.00 0.00 H new ATOM 1096 N GLY A 76 -13.105 3.456 -8.667 1.00 0.00 N ATOM 1097 CA GLY A 76 -13.355 4.744 -8.039 1.00 0.00 C ATOM 1098 C GLY A 76 -12.890 4.807 -6.583 1.00 0.00 C ATOM 1099 O GLY A 76 -13.567 5.410 -5.749 1.00 0.00 O ATOM 0 H GLY A 76 -12.455 3.515 -9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.849 5.523 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.422 4.960 -8.082 1.00 0.00 H new ATOM 1103 N LYS A 77 -11.780 4.150 -6.237 1.00 0.00 N ATOM 1104 CA LYS A 77 -11.286 4.102 -4.861 1.00 0.00 C ATOM 1105 C LYS A 77 -10.020 4.938 -4.759 1.00 0.00 C ATOM 1106 O LYS A 77 -9.337 5.192 -5.754 1.00 0.00 O ATOM 1107 CB LYS A 77 -11.082 2.659 -4.354 1.00 0.00 C ATOM 1108 CG LYS A 77 -12.120 1.679 -4.918 1.00 0.00 C ATOM 1109 CD LYS A 77 -12.592 0.599 -3.948 1.00 0.00 C ATOM 1110 CE LYS A 77 -13.650 -0.313 -4.589 1.00 0.00 C ATOM 1111 NZ LYS A 77 -14.858 0.387 -5.088 1.00 0.00 N ATOM 0 H LYS A 77 -11.201 3.638 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.043 4.528 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.083 2.320 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.134 2.650 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.988 2.247 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.697 1.194 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.740 -0.000 -3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.007 1.067 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.191 -0.851 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.957 -1.059 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.570 -0.313 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.249 0.986 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.604 0.980 -5.904 1.00 0.00 H new ATOM 1121 N GLU A 78 -9.728 5.357 -3.539 1.00 0.00 N ATOM 1122 CA GLU A 78 -8.593 6.207 -3.219 1.00 0.00 C ATOM 1123 C GLU A 78 -7.390 5.350 -2.801 1.00 0.00 C ATOM 1124 O GLU A 78 -7.428 4.121 -2.899 1.00 0.00 O ATOM 1125 CB GLU A 78 -9.038 7.222 -2.150 1.00 0.00 C ATOM 1126 CG GLU A 78 -8.315 8.566 -2.273 1.00 0.00 C ATOM 1127 CD GLU A 78 -8.544 9.305 -3.596 1.00 0.00 C ATOM 1128 OE1 GLU A 78 -9.430 8.931 -4.402 1.00 0.00 O ATOM 1129 OE2 GLU A 78 -7.777 10.262 -3.847 1.00 0.00 O ATOM 0 H GLU A 78 -10.288 5.109 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.259 6.771 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.113 7.383 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.854 6.805 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.635 9.210 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.245 8.399 -2.148 1.00 0.00 H new ATOM 1134 N PHE A 79 -6.290 5.974 -2.376 1.00 0.00 N ATOM 1135 CA PHE A 79 -5.025 5.295 -2.133 1.00 0.00 C ATOM 1136 C PHE A 79 -4.063 6.217 -1.365 1.00 0.00 C ATOM 1137 O PHE A 79 -3.624 7.246 -1.892 1.00 0.00 O ATOM 1138 CB PHE A 79 -4.452 4.921 -3.505 1.00 0.00 C ATOM 1139 CG PHE A 79 -2.988 4.557 -3.477 1.00 0.00 C ATOM 1140 CD1 PHE A 79 -2.564 3.448 -2.722 1.00 0.00 C ATOM 1141 CD2 PHE A 79 -2.045 5.395 -4.098 1.00 0.00 C ATOM 1142 CE1 PHE A 79 -1.194 3.219 -2.529 1.00 0.00 C ATOM 1143 CE2 PHE A 79 -0.677 5.172 -3.894 1.00 0.00 C ATOM 1144 CZ PHE A 79 -0.253 4.102 -3.087 1.00 0.00 C ATOM 0 H PHE A 79 -6.257 6.976 -2.190 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.167 4.403 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.018 4.081 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.595 5.758 -4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.291 2.775 -2.292 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.374 6.207 -4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.863 2.367 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.051 5.822 -4.356 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.800 3.958 -2.895 1.00 0.00 H new ATOM 1153 N ILE A 80 -3.710 5.858 -0.130 1.00 0.00 N ATOM 1154 CA ILE A 80 -2.815 6.595 0.772 1.00 0.00 C ATOM 1155 C ILE A 80 -1.951 5.537 1.456 1.00 0.00 C ATOM 1156 O ILE A 80 -2.427 4.424 1.675 1.00 0.00 O ATOM 1157 CB ILE A 80 -3.614 7.445 1.792 1.00 0.00 C ATOM 1158 CG1 ILE A 80 -4.798 8.187 1.138 1.00 0.00 C ATOM 1159 CG2 ILE A 80 -2.703 8.508 2.454 1.00 0.00 C ATOM 1160 CD1 ILE A 80 -5.762 8.806 2.149 1.00 0.00 C ATOM 0 H ILE A 80 -4.059 4.998 0.294 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.197 7.309 0.228 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.995 6.744 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.411 8.973 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.347 7.491 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.285 9.093 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.884 8.012 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.298 9.168 1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.570 9.311 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.178 8.022 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.227 9.527 2.768 1.00 0.00 H new ATOM 1171 N LEU A 81 -0.701 5.862 1.777 1.00 0.00 N ATOM 1172 CA LEU A 81 0.203 5.036 2.572 1.00 0.00 C ATOM 1173 C LEU A 81 0.360 5.681 3.948 1.00 0.00 C ATOM 1174 O LEU A 81 0.321 6.910 4.049 1.00 0.00 O ATOM 1175 CB LEU A 81 1.602 4.977 1.941 1.00 0.00 C ATOM 1176 CG LEU A 81 1.734 4.571 0.465 1.00 0.00 C ATOM 1177 CD1 LEU A 81 3.231 4.445 0.159 1.00 0.00 C ATOM 1178 CD2 LEU A 81 1.037 3.252 0.132 1.00 0.00 C ATOM 0 H LEU A 81 -0.275 6.740 1.480 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.215 4.031 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.056 5.961 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.200 4.281 2.529 1.00 0.00 H new ATOM 0 HG LEU A 81 1.247 5.333 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.366 4.157 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.721 5.402 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.672 3.686 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.171 3.027 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.470 2.451 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.027 3.337 0.353 1.00 0.00 H new ATOM 1189 N SER A 82 0.559 4.905 5.008 1.00 0.00 N ATOM 1190 CA SER A 82 0.839 5.397 6.345 1.00 0.00 C ATOM 1191 C SER A 82 1.734 4.428 7.110 1.00 0.00 C ATOM 1192 O SER A 82 1.963 3.308 6.668 1.00 0.00 O ATOM 1193 CB SER A 82 -0.484 5.599 7.074 1.00 0.00 C ATOM 1194 OG SER A 82 -0.588 6.928 7.491 1.00 0.00 O ATOM 0 H SER A 82 0.528 3.887 4.955 1.00 0.00 H new ATOM 0 HA SER A 82 1.373 6.345 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.316 5.347 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.543 4.931 7.934 1.00 0.00 H new ATOM 0 HG SER A 82 -1.141 7.428 6.855 1.00 0.00 H new ATOM 1199 N SER A 83 2.260 4.865 8.250 1.00 0.00 N ATOM 1200 CA SER A 83 3.287 4.196 9.032 1.00 0.00 C ATOM 1201 C SER A 83 4.463 3.681 8.232 1.00 0.00 C ATOM 1202 O SER A 83 4.682 2.481 8.088 1.00 0.00 O ATOM 1203 CB SER A 83 2.721 3.006 9.817 1.00 0.00 C ATOM 1204 OG SER A 83 1.649 3.302 10.684 1.00 0.00 O ATOM 0 H SER A 83 1.963 5.744 8.674 1.00 0.00 H new ATOM 0 HA SER A 83 3.644 4.982 9.697 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.391 2.249 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.527 2.564 10.403 1.00 0.00 H new ATOM 0 HG SER A 83 0.826 2.901 10.335 1.00 0.00 H new ATOM 1209 N LEU A 84 5.279 4.595 7.744 1.00 0.00 N ATOM 1210 CA LEU A 84 6.410 4.189 6.935 1.00 0.00 C ATOM 1211 C LEU A 84 7.613 3.995 7.824 1.00 0.00 C ATOM 1212 O LEU A 84 7.601 4.319 9.018 1.00 0.00 O ATOM 1213 CB LEU A 84 6.599 5.209 5.820 1.00 0.00 C ATOM 1214 CG LEU A 84 5.513 5.077 4.736 1.00 0.00 C ATOM 1215 CD1 LEU A 84 5.951 4.113 3.622 1.00 0.00 C ATOM 1216 CD2 LEU A 84 4.085 4.767 5.111 1.00 0.00 C ATOM 0 H LEU A 84 5.184 5.600 7.889 1.00 0.00 H new ATOM 0 HA LEU A 84 6.245 3.228 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.574 6.215 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.582 5.076 5.368 1.00 0.00 H new ATOM 0 HG LEU A 84 5.452 6.118 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.163 4.041 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.863 4.486 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.138 3.127 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.475 4.715 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.045 3.810 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.702 5.551 5.764 1.00 0.00 H new ATOM 1227 N LYS A 85 8.671 3.452 7.237 1.00 0.00 N ATOM 1228 CA LYS A 85 9.959 3.368 7.888 1.00 0.00 C ATOM 1229 C LYS A 85 10.918 4.287 7.222 1.00 0.00 C ATOM 1230 O LYS A 85 10.791 4.574 6.034 1.00 0.00 O ATOM 1231 CB LYS A 85 10.466 1.938 7.888 1.00 0.00 C ATOM 1232 CG LYS A 85 9.590 1.177 8.872 1.00 0.00 C ATOM 1233 CD LYS A 85 10.277 -0.118 9.259 1.00 0.00 C ATOM 1234 CE LYS A 85 9.585 -0.657 10.494 1.00 0.00 C ATOM 1235 NZ LYS A 85 9.989 0.028 11.744 1.00 0.00 N ATOM 0 H LYS A 85 8.654 3.059 6.296 1.00 0.00 H new ATOM 0 HA LYS A 85 9.856 3.676 8.929 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.401 1.502 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.514 1.896 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.408 1.784 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.619 0.967 8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.220 -0.839 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.335 0.055 9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.507 -0.560 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.801 -1.721 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.643 -0.512 12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.026 0.092 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.582 0.985 11.763 1.00 0.00 H new ATOM 1245 N GLU A 86 11.937 4.654 7.974 1.00 0.00 N ATOM 1246 CA GLU A 86 12.904 5.630 7.496 1.00 0.00 C ATOM 1247 C GLU A 86 13.636 5.063 6.278 1.00 0.00 C ATOM 1248 O GLU A 86 13.986 5.796 5.353 1.00 0.00 O ATOM 1249 CB GLU A 86 13.899 5.973 8.605 1.00 0.00 C ATOM 1250 CG GLU A 86 14.536 7.348 8.388 1.00 0.00 C ATOM 1251 CD GLU A 86 15.754 7.522 9.288 1.00 0.00 C ATOM 1252 OE1 GLU A 86 16.840 7.043 8.880 1.00 0.00 O ATOM 1253 OE2 GLU A 86 15.644 8.155 10.369 1.00 0.00 O ATOM 0 H GLU A 86 12.119 4.296 8.912 1.00 0.00 H new ATOM 0 HA GLU A 86 12.385 6.544 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.390 5.956 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.679 5.212 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.830 7.458 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.807 8.130 8.598 1.00 0.00 H new ATOM 1258 N SER A 87 13.816 3.738 6.238 1.00 0.00 N ATOM 1259 CA SER A 87 14.491 3.096 5.113 1.00 0.00 C ATOM 1260 C SER A 87 13.629 3.080 3.843 1.00 0.00 C ATOM 1261 O SER A 87 14.171 2.888 2.760 1.00 0.00 O ATOM 1262 CB SER A 87 14.984 1.692 5.490 1.00 0.00 C ATOM 1263 OG SER A 87 16.318 1.782 5.975 1.00 0.00 O ATOM 0 H SER A 87 13.505 3.097 6.968 1.00 0.00 H new ATOM 0 HA SER A 87 15.367 3.701 4.878 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.336 1.258 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.943 1.033 4.622 1.00 0.00 H new ATOM 0 HG SER A 87 16.638 0.889 6.219 1.00 0.00 H new ATOM 1268 N ILE A 88 12.320 3.322 3.942 1.00 0.00 N ATOM 1269 CA ILE A 88 11.336 3.031 2.911 1.00 0.00 C ATOM 1270 C ILE A 88 10.738 4.346 2.440 1.00 0.00 C ATOM 1271 O ILE A 88 10.567 4.568 1.244 1.00 0.00 O ATOM 1272 CB ILE A 88 10.258 2.089 3.476 1.00 0.00 C ATOM 1273 CG1 ILE A 88 10.830 0.825 4.175 1.00 0.00 C ATOM 1274 CG2 ILE A 88 9.268 1.729 2.365 1.00 0.00 C ATOM 1275 CD1 ILE A 88 11.685 -0.097 3.308 1.00 0.00 C ATOM 0 H ILE A 88 11.907 3.741 4.775 1.00 0.00 H new ATOM 0 HA ILE A 88 11.799 2.528 2.062 1.00 0.00 H new ATOM 0 HB ILE A 88 9.738 2.627 4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.429 1.146 5.027 1.00 0.00 H new ATOM 0 HG13 ILE A 88 9.996 0.246 4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.503 1.062 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.798 2.637 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.798 1.231 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.027 -0.943 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.092 -0.461 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.547 0.454 2.931 1.00 0.00 H new ATOM 1286 N SER A 89 10.489 5.260 3.373 1.00 0.00 N ATOM 1287 CA SER A 89 9.972 6.568 3.063 1.00 0.00 C ATOM 1288 C SER A 89 10.975 7.259 2.122 1.00 0.00 C ATOM 1289 O SER A 89 10.654 7.647 0.998 1.00 0.00 O ATOM 1290 CB SER A 89 9.719 7.316 4.380 1.00 0.00 C ATOM 1291 OG SER A 89 8.966 8.491 4.188 1.00 0.00 O ATOM 0 H SER A 89 10.645 5.103 4.369 1.00 0.00 H new ATOM 0 HA SER A 89 9.016 6.536 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.194 6.659 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.674 7.569 4.841 1.00 0.00 H new ATOM 0 HG SER A 89 8.827 8.935 5.051 1.00 0.00 H new ATOM 1296 N ARG A 90 12.252 7.270 2.516 1.00 0.00 N ATOM 1297 CA ARG A 90 13.361 7.762 1.706 1.00 0.00 C ATOM 1298 C ARG A 90 13.461 7.037 0.367 1.00 0.00 C ATOM 1299 O ARG A 90 13.925 7.671 -0.570 1.00 0.00 O ATOM 1300 CB ARG A 90 14.655 7.620 2.526 1.00 0.00 C ATOM 1301 CG ARG A 90 15.391 6.305 2.244 1.00 0.00 C ATOM 1302 CD ARG A 90 16.336 5.891 3.350 1.00 0.00 C ATOM 1303 NE ARG A 90 17.757 5.982 2.998 1.00 0.00 N ATOM 1304 CZ ARG A 90 18.780 5.821 3.844 1.00 0.00 C ATOM 1305 NH1 ARG A 90 18.609 5.933 5.162 1.00 0.00 N ATOM 1306 NH2 ARG A 90 19.974 5.527 3.354 1.00 0.00 N ATOM 0 H ARG A 90 12.546 6.928 3.431 1.00 0.00 H new ATOM 0 HA ARG A 90 13.191 8.811 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.316 8.457 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.416 7.678 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.657 5.514 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.953 6.405 1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.150 6.516 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.111 4.864 3.639 1.00 0.00 H new ATOM 0 HE ARG A 90 17.984 6.185 2.025 1.00 0.00 H new ATOM 0 HH11 ARG A 90 17.686 6.145 5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.401 5.807 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.102 5.427 2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.767 5.400 3.983 1.00 0.00 H new ATOM 1317 N ILE A 91 13.107 5.751 0.275 1.00 0.00 N ATOM 1318 CA ILE A 91 13.217 4.948 -0.939 1.00 0.00 C ATOM 1319 C ILE A 91 12.213 5.528 -1.933 1.00 0.00 C ATOM 1320 O ILE A 91 12.533 5.776 -3.102 1.00 0.00 O ATOM 1321 CB ILE A 91 12.934 3.447 -0.614 1.00 0.00 C ATOM 1322 CG1 ILE A 91 14.244 2.659 -0.508 1.00 0.00 C ATOM 1323 CG2 ILE A 91 11.940 2.736 -1.556 1.00 0.00 C ATOM 1324 CD1 ILE A 91 14.075 1.206 -0.035 1.00 0.00 C ATOM 0 H ILE A 91 12.727 5.230 1.065 1.00 0.00 H new ATOM 0 HA ILE A 91 14.219 4.982 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 91 12.429 3.465 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.732 2.656 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.911 3.177 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.817 1.700 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.976 3.244 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 91 12.324 2.761 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.051 0.723 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.618 1.196 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.436 0.667 -0.735 1.00 0.00 H new ATOM 1335 N LEU A 92 10.985 5.770 -1.454 1.00 0.00 N ATOM 1336 CA LEU A 92 9.947 6.373 -2.269 1.00 0.00 C ATOM 1337 C LEU A 92 10.422 7.757 -2.696 1.00 0.00 C ATOM 1338 O LEU A 92 10.330 8.101 -3.870 1.00 0.00 O ATOM 1339 CB LEU A 92 8.618 6.475 -1.513 1.00 0.00 C ATOM 1340 CG LEU A 92 8.023 5.127 -1.062 1.00 0.00 C ATOM 1341 CD1 LEU A 92 7.104 5.381 0.132 1.00 0.00 C ATOM 1342 CD2 LEU A 92 7.256 4.432 -2.194 1.00 0.00 C ATOM 0 H LEU A 92 10.695 5.553 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 92 9.767 5.744 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.764 7.103 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.892 6.981 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 92 8.836 4.459 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.673 4.437 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.678 5.826 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.305 6.061 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.853 3.486 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.438 5.072 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.931 4.244 -3.029 1.00 0.00 H new ATOM 1353 N LYS A 93 10.969 8.558 -1.780 1.00 0.00 N ATOM 1354 CA LYS A 93 11.498 9.866 -2.101 1.00 0.00 C ATOM 1355 C LYS A 93 12.568 9.767 -3.193 1.00 0.00 C ATOM 1356 O LYS A 93 12.443 10.440 -4.217 1.00 0.00 O ATOM 1357 CB LYS A 93 11.961 10.523 -0.789 1.00 0.00 C ATOM 1358 CG LYS A 93 12.797 11.742 -1.121 1.00 0.00 C ATOM 1359 CD LYS A 93 12.842 12.857 -0.074 1.00 0.00 C ATOM 1360 CE LYS A 93 13.861 12.556 1.022 1.00 0.00 C ATOM 1361 NZ LYS A 93 14.101 13.735 1.870 1.00 0.00 N ATOM 0 H LYS A 93 11.053 8.309 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 93 10.738 10.516 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.099 10.809 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.543 9.816 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.819 11.412 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.423 12.166 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.094 13.801 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.854 12.980 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.503 11.730 1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.799 12.234 0.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.798 13.498 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.465 14.514 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.210 14.027 2.319 1.00 0.00 H new ATOM 1371 N LEU A 94 13.582 8.922 -3.004 1.00 0.00 N ATOM 1372 CA LEU A 94 14.695 8.669 -3.918 1.00 0.00 C ATOM 1373 C LEU A 94 14.151 8.420 -5.322 1.00 0.00 C ATOM 1374 O LEU A 94 14.487 9.159 -6.250 1.00 0.00 O ATOM 1375 CB LEU A 94 15.546 7.484 -3.399 1.00 0.00 C ATOM 1376 CG LEU A 94 16.574 7.847 -2.309 1.00 0.00 C ATOM 1377 CD1 LEU A 94 17.230 6.590 -1.733 1.00 0.00 C ATOM 1378 CD2 LEU A 94 17.674 8.797 -2.783 1.00 0.00 C ATOM 0 H LEU A 94 13.652 8.361 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 94 15.350 9.539 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.876 6.720 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 94 16.075 7.040 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 94 15.999 8.367 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 94 17.951 6.874 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 94 16.466 5.950 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 94 17.742 6.049 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.357 9.004 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.225 8.336 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.226 9.730 -3.126 1.00 0.00 H new ATOM 1389 N THR A 95 13.222 7.475 -5.455 1.00 0.00 N ATOM 1390 CA THR A 95 12.709 7.032 -6.749 1.00 0.00 C ATOM 1391 C THR A 95 11.622 7.948 -7.338 1.00 0.00 C ATOM 1392 O THR A 95 11.050 7.650 -8.388 1.00 0.00 O ATOM 1393 CB THR A 95 12.313 5.536 -6.660 1.00 0.00 C ATOM 1394 OG1 THR A 95 13.085 4.815 -5.703 1.00 0.00 O ATOM 1395 CG2 THR A 95 12.520 4.817 -7.998 1.00 0.00 C ATOM 0 H THR A 95 12.801 6.992 -4.661 1.00 0.00 H new ATOM 0 HA THR A 95 13.510 7.119 -7.484 1.00 0.00 H new ATOM 0 HB THR A 95 11.263 5.547 -6.368 1.00 0.00 H new ATOM 0 HG1 THR A 95 12.799 5.063 -4.799 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.232 3.771 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.906 5.290 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 95 13.570 4.878 -8.285 1.00 0.00 H new ATOM 1403 N HIS A 96 11.386 9.101 -6.712 1.00 0.00 N ATOM 1404 CA HIS A 96 10.339 10.075 -7.001 1.00 0.00 C ATOM 1405 C HIS A 96 8.926 9.504 -6.874 1.00 0.00 C ATOM 1406 O HIS A 96 8.015 9.961 -7.548 1.00 0.00 O ATOM 1407 CB HIS A 96 10.498 10.788 -8.357 1.00 0.00 C ATOM 1408 CG HIS A 96 11.894 11.271 -8.635 1.00 0.00 C ATOM 1409 ND1 HIS A 96 12.528 12.311 -7.987 1.00 0.00 N ATOM 1410 CD2 HIS A 96 12.782 10.687 -9.493 1.00 0.00 C ATOM 1411 CE1 HIS A 96 13.800 12.343 -8.431 1.00 0.00 C ATOM 1412 NE2 HIS A 96 13.972 11.370 -9.348 1.00 0.00 N ATOM 0 H HIS A 96 11.968 9.399 -5.929 1.00 0.00 H new ATOM 0 HA HIS A 96 10.473 10.826 -6.222 1.00 0.00 H new ATOM 0 HB2 HIS A 96 10.196 10.106 -9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 96 9.817 11.638 -8.391 1.00 0.00 H new ATOM 0 HD2 HIS A 96 12.590 9.855 -10.154 1.00 0.00 H new ATOM 0 HE1 HIS A 96 14.560 13.037 -8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 96 14.837 11.172 -9.851 1.00 0.00 H new ATOM 1420 N LEU A 97 8.730 8.500 -6.031 1.00 0.00 N ATOM 1421 CA LEU A 97 7.445 7.902 -5.718 1.00 0.00 C ATOM 1422 C LEU A 97 6.711 8.726 -4.668 1.00 0.00 C ATOM 1423 O LEU A 97 5.495 8.837 -4.734 1.00 0.00 O ATOM 1424 CB LEU A 97 7.709 6.499 -5.155 1.00 0.00 C ATOM 1425 CG LEU A 97 7.525 5.332 -6.120 1.00 0.00 C ATOM 1426 CD1 LEU A 97 6.050 5.051 -6.315 1.00 0.00 C ATOM 1427 CD2 LEU A 97 8.190 5.493 -7.478 1.00 0.00 C ATOM 0 H LEU A 97 9.500 8.062 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 97 6.830 7.861 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.731 6.470 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.048 6.344 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 97 8.034 4.494 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.927 4.217 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.598 4.798 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.562 5.936 -6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.997 4.608 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.785 6.372 -7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.265 5.614 -7.345 1.00 0.00 H new ATOM 1438 N ASP A 98 7.409 9.298 -3.681 1.00 0.00 N ATOM 1439 CA ASP A 98 6.743 9.970 -2.559 1.00 0.00 C ATOM 1440 C ASP A 98 5.958 11.180 -3.070 1.00 0.00 C ATOM 1441 O ASP A 98 4.847 11.424 -2.607 1.00 0.00 O ATOM 1442 CB ASP A 98 7.773 10.320 -1.467 1.00 0.00 C ATOM 1443 CG ASP A 98 7.283 11.289 -0.384 1.00 0.00 C ATOM 1444 OD1 ASP A 98 6.909 12.434 -0.720 1.00 0.00 O ATOM 1445 OD2 ASP A 98 7.385 10.939 0.817 1.00 0.00 O ATOM 0 H ASP A 98 8.428 9.310 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 98 6.017 9.303 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.094 9.396 -0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.652 10.752 -1.946 1.00 0.00 H new ATOM 1449 N LYS A 99 6.469 11.874 -4.097 1.00 0.00 N ATOM 1450 CA LYS A 99 5.767 12.981 -4.738 1.00 0.00 C ATOM 1451 C LYS A 99 4.448 12.569 -5.410 1.00 0.00 C ATOM 1452 O LYS A 99 3.577 13.424 -5.565 1.00 0.00 O ATOM 1453 CB LYS A 99 6.681 13.724 -5.736 1.00 0.00 C ATOM 1454 CG LYS A 99 7.321 12.795 -6.764 1.00 0.00 C ATOM 1455 CD LYS A 99 7.415 13.348 -8.194 1.00 0.00 C ATOM 1456 CE LYS A 99 8.432 14.481 -8.405 1.00 0.00 C ATOM 1457 NZ LYS A 99 7.820 15.820 -8.301 1.00 0.00 N ATOM 0 H LYS A 99 7.384 11.678 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 99 5.498 13.663 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.099 14.486 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.466 14.243 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.326 12.544 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.752 11.865 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.668 12.527 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.430 13.709 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.229 14.391 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.894 14.372 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.548 16.547 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.078 15.919 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.402 15.938 -7.356 1.00 0.00 H new ATOM 1467 N ILE A 100 4.273 11.304 -5.800 1.00 0.00 N ATOM 1468 CA ILE A 100 3.197 10.844 -6.683 1.00 0.00 C ATOM 1469 C ILE A 100 2.251 9.894 -5.952 1.00 0.00 C ATOM 1470 O ILE A 100 1.230 9.466 -6.483 1.00 0.00 O ATOM 1471 CB ILE A 100 3.789 10.201 -7.959 1.00 0.00 C ATOM 1472 CG1 ILE A 100 4.835 9.112 -7.713 1.00 0.00 C ATOM 1473 CG2 ILE A 100 4.379 11.285 -8.876 1.00 0.00 C ATOM 1474 CD1 ILE A 100 5.370 8.460 -8.996 1.00 0.00 C ATOM 0 H ILE A 100 4.893 10.550 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 100 2.605 11.707 -6.988 1.00 0.00 H new ATOM 0 HB ILE A 100 2.948 9.699 -8.437 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.670 9.543 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.399 8.340 -7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.792 10.819 -9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.595 11.986 -9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.168 11.819 -8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.106 7.699 -8.738 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.546 7.998 -9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.838 9.220 -9.622 1.00 0.00 H new ATOM 1485 N PHE A 101 2.585 9.562 -4.717 1.00 0.00 N ATOM 1486 CA PHE A 101 1.815 8.785 -3.777 1.00 0.00 C ATOM 1487 C PHE A 101 1.440 9.746 -2.642 1.00 0.00 C ATOM 1488 O PHE A 101 1.779 10.933 -2.693 1.00 0.00 O ATOM 1489 CB PHE A 101 2.728 7.651 -3.304 1.00 0.00 C ATOM 1490 CG PHE A 101 2.818 6.396 -4.160 1.00 0.00 C ATOM 1491 CD1 PHE A 101 2.775 6.402 -5.569 1.00 0.00 C ATOM 1492 CD2 PHE A 101 3.031 5.175 -3.509 1.00 0.00 C ATOM 1493 CE1 PHE A 101 2.960 5.231 -6.303 1.00 0.00 C ATOM 1494 CE2 PHE A 101 3.233 3.994 -4.227 1.00 0.00 C ATOM 1495 CZ PHE A 101 3.189 4.037 -5.624 1.00 0.00 C ATOM 0 H PHE A 101 3.477 9.856 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 101 0.904 8.348 -4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 101 3.735 8.056 -3.199 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.400 7.352 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.595 7.331 -6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.039 5.146 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.926 5.250 -7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.420 3.063 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.335 3.127 -6.187 1.00 0.00 H new ATOM 1504 N LYS A 102 0.774 9.265 -1.595 1.00 0.00 N ATOM 1505 CA LYS A 102 0.555 10.041 -0.382 1.00 0.00 C ATOM 1506 C LYS A 102 1.042 9.236 0.792 1.00 0.00 C ATOM 1507 O LYS A 102 0.780 8.042 0.861 1.00 0.00 O ATOM 1508 CB LYS A 102 -0.916 10.472 -0.274 1.00 0.00 C ATOM 1509 CG LYS A 102 -1.114 11.509 0.851 1.00 0.00 C ATOM 1510 CD LYS A 102 -2.331 12.429 0.662 1.00 0.00 C ATOM 1511 CE LYS A 102 -3.624 11.864 1.255 1.00 0.00 C ATOM 1512 NZ LYS A 102 -4.729 12.830 1.128 1.00 0.00 N ATOM 0 H LYS A 102 0.373 8.328 -1.566 1.00 0.00 H new ATOM 0 HA LYS A 102 1.125 10.970 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.244 10.895 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.540 9.599 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.216 10.982 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.217 12.124 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.121 13.394 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.478 12.609 -0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.887 10.936 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.470 11.619 2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.594 12.423 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.485 13.705 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.889 13.044 0.123 1.00 0.00 H new ATOM 1522 N ILE A 103 1.788 9.893 1.670 1.00 0.00 N ATOM 1523 CA ILE A 103 2.346 9.304 2.864 1.00 0.00 C ATOM 1524 C ILE A 103 1.748 10.105 4.020 1.00 0.00 C ATOM 1525 O ILE A 103 1.647 11.330 3.944 1.00 0.00 O ATOM 1526 CB ILE A 103 3.898 9.294 2.841 1.00 0.00 C ATOM 1527 CG1 ILE A 103 4.529 8.357 1.777 1.00 0.00 C ATOM 1528 CG2 ILE A 103 4.425 8.824 4.211 1.00 0.00 C ATOM 1529 CD1 ILE A 103 4.430 8.817 0.316 1.00 0.00 C ATOM 0 H ILE A 103 2.024 10.879 1.561 1.00 0.00 H new ATOM 0 HA ILE A 103 2.093 8.248 2.962 1.00 0.00 H new ATOM 0 HB ILE A 103 4.183 10.317 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.583 8.223 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.055 7.379 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.515 8.816 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.076 9.504 4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.057 7.819 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.906 8.080 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.381 8.921 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.932 9.778 0.202 1.00 0.00 H new ATOM 1540 N THR A 104 1.356 9.398 5.070 1.00 0.00 N ATOM 1541 CA THR A 104 0.829 9.902 6.328 1.00 0.00 C ATOM 1542 C THR A 104 1.515 9.129 7.462 1.00 0.00 C ATOM 1543 O THR A 104 2.392 8.288 7.217 1.00 0.00 O ATOM 1544 CB THR A 104 -0.714 9.813 6.310 1.00 0.00 C ATOM 1545 OG1 THR A 104 -1.177 8.692 5.580 1.00 0.00 O ATOM 1546 CG2 THR A 104 -1.341 11.012 5.617 1.00 0.00 C ATOM 0 H THR A 104 1.402 8.379 5.063 1.00 0.00 H new ATOM 0 HA THR A 104 1.048 10.958 6.488 1.00 0.00 H new ATOM 0 HB THR A 104 -0.997 9.753 7.361 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.157 8.673 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.426 10.911 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.057 11.925 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.990 11.061 4.586 1.00 0.00 H new ATOM 1554 N ASP A 105 1.172 9.444 8.703 1.00 0.00 N ATOM 1555 CA ASP A 105 1.847 8.924 9.887 1.00 0.00 C ATOM 1556 C ASP A 105 1.096 7.720 10.415 1.00 0.00 C ATOM 1557 O ASP A 105 1.690 6.682 10.712 1.00 0.00 O ATOM 1558 CB ASP A 105 1.914 10.011 10.973 1.00 0.00 C ATOM 1559 CG ASP A 105 3.359 10.311 11.356 1.00 0.00 C ATOM 1560 OD1 ASP A 105 4.230 10.441 10.465 1.00 0.00 O ATOM 1561 OD2 ASP A 105 3.668 10.332 12.568 1.00 0.00 O ATOM 0 H ASP A 105 0.404 10.079 8.921 1.00 0.00 H new ATOM 0 HA ASP A 105 2.861 8.627 9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.433 10.920 10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 105 1.361 9.685 11.854 1.00 0.00 H new ATOM 1565 N THR A 106 -0.222 7.866 10.504 1.00 0.00 N ATOM 1566 CA THR A 106 -1.129 6.885 11.044 1.00 0.00 C ATOM 1567 C THR A 106 -2.244 6.699 10.024 1.00 0.00 C ATOM 1568 O THR A 106 -2.656 7.646 9.348 1.00 0.00 O ATOM 1569 CB THR A 106 -1.646 7.377 12.412 1.00 0.00 C ATOM 1570 OG1 THR A 106 -2.293 8.631 12.296 1.00 0.00 O ATOM 1571 CG2 THR A 106 -0.514 7.516 13.434 1.00 0.00 C ATOM 0 H THR A 106 -0.698 8.710 10.186 1.00 0.00 H new ATOM 0 HA THR A 106 -0.648 5.922 11.217 1.00 0.00 H new ATOM 0 HB THR A 106 -2.354 6.623 12.757 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.612 8.917 13.177 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.921 7.865 14.383 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.034 6.548 13.579 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.220 8.234 13.069 1.00 0.00 H new ATOM 1579 N VAL A 107 -2.799 5.489 9.942 1.00 0.00 N ATOM 1580 CA VAL A 107 -3.937 5.215 9.078 1.00 0.00 C ATOM 1581 C VAL A 107 -5.153 6.063 9.483 1.00 0.00 C ATOM 1582 O VAL A 107 -6.066 6.275 8.691 1.00 0.00 O ATOM 1583 CB VAL A 107 -4.215 3.699 9.060 1.00 0.00 C ATOM 1584 CG1 VAL A 107 -3.012 2.980 8.445 1.00 0.00 C ATOM 1585 CG2 VAL A 107 -4.453 3.086 10.445 1.00 0.00 C ATOM 0 H VAL A 107 -2.472 4.680 10.470 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.708 5.510 8.054 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.130 3.571 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.199 1.906 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.856 3.337 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.123 3.184 9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.641 2.017 10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.572 3.241 11.068 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.315 3.563 10.911 1.00 0.00 H new ATOM 1595 N GLU A 108 -5.136 6.611 10.696 1.00 0.00 N ATOM 1596 CA GLU A 108 -6.026 7.655 11.178 1.00 0.00 C ATOM 1597 C GLU A 108 -5.901 8.980 10.410 1.00 0.00 C ATOM 1598 O GLU A 108 -6.934 9.558 10.074 1.00 0.00 O ATOM 1599 CB GLU A 108 -5.751 7.877 12.670 1.00 0.00 C ATOM 1600 CG GLU A 108 -6.620 6.964 13.545 1.00 0.00 C ATOM 1601 CD GLU A 108 -7.740 7.763 14.202 1.00 0.00 C ATOM 1602 OE1 GLU A 108 -8.822 7.893 13.588 1.00 0.00 O ATOM 1603 OE2 GLU A 108 -7.487 8.292 15.309 1.00 0.00 O ATOM 0 H GLU A 108 -4.463 6.320 11.405 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.049 7.316 11.012 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.698 7.688 12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.944 8.919 12.925 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.044 6.164 12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.005 6.491 14.311 1.00 0.00 H new ATOM 1608 N GLU A 109 -4.695 9.488 10.127 1.00 0.00 N ATOM 1609 CA GLU A 109 -4.499 10.776 9.445 1.00 0.00 C ATOM 1610 C GLU A 109 -4.898 10.722 7.956 1.00 0.00 C ATOM 1611 O GLU A 109 -5.046 11.752 7.288 1.00 0.00 O ATOM 1612 CB GLU A 109 -3.017 11.168 9.569 1.00 0.00 C ATOM 1613 CG GLU A 109 -2.774 12.674 9.371 1.00 0.00 C ATOM 1614 CD GLU A 109 -1.460 12.962 8.645 1.00 0.00 C ATOM 1615 OE1 GLU A 109 -0.431 12.341 8.997 1.00 0.00 O ATOM 1616 OE2 GLU A 109 -1.466 13.841 7.748 1.00 0.00 O ATOM 0 H GLU A 109 -3.823 9.016 10.365 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.144 11.516 9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.650 10.873 10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.437 10.612 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -3.601 13.101 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.765 13.169 10.342 1.00 0.00 H new ATOM 1621 N ALA A 110 -5.031 9.510 7.418 1.00 0.00 N ATOM 1622 CA ALA A 110 -5.340 9.248 6.028 1.00 0.00 C ATOM 1623 C ALA A 110 -6.762 9.684 5.712 1.00 0.00 C ATOM 1624 O ALA A 110 -6.934 10.583 4.867 1.00 0.00 O ATOM 1625 CB ALA A 110 -5.145 7.761 5.771 1.00 0.00 C ATOM 0 H ALA A 110 -4.921 8.657 7.966 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.677 9.817 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.372 7.539 4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.111 7.488 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.811 7.190 6.417 1.00 0.00 H new TER 1631 ALA A 110