USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 938 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 75 MET CE :methyl -169:sc= -3.9! (180deg=-3.18) USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -0.97 F(o=-7,f=-4.9) USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= -0.0679 F(o=-1.2,f=-0.068) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -146:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -3.37! C(o=-2.7!,f=-19!) USER MOD Set 3.2: A 60 SER OG : rot -153:sc= -0.143 USER MOD Set 3.3: A 90 THR OG1 : rot 111:sc= -1.98! USER MOD Set 3.4: A 92 SER OG : rot -153:sc= 1.38! USER MOD Set 3.5: A 105 THR OG1 : rot 154:sc= 1.39 USER MOD Set 4.1: A 3 MET CE :methyl 139:sc= -1.59 (180deg=0) USER MOD Set 4.2: A 5 ASN : amide:sc= -4.54! C(o=-5.3!,f=-9.5!) USER MOD Set 4.3: A 36 GLN : amide:sc= 0.366 K(o=-5.3,f=-8.3) USER MOD Set 4.4: A 38 GLN : amide:sc= 0.475 K(o=-5.3,f=-7.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= 0.00125 USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -130:sc= -3.16! USER MOD Single : A 17 ASN : amide:sc= -4.35 K(o=-4.4,f=-17!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.058) USER MOD Single : A 29 CYS SG : rot 69:sc= -2.66 USER MOD Single : A 32 THR OG1 : rot 73:sc= 0.844 USER MOD Single : A 35 TYR OH : rot 112:sc= 0.0585 USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.2 (180deg=-0.992) USER MOD Single : A 44 ASN : amide:sc= -4.46! C(o=-4.5!,f=-7.3!) USER MOD Single : A 49 CYS SG : rot -54:sc= -3.85 USER MOD Single : A 50 HIS : no HD1:sc= -2.31 K(o=-2.3,f=-6.7!) USER MOD Single : A 54 GLN : amide:sc= -6.96! C(o=-7!,f=-7.5!) USER MOD Single : A 55 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.034) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= -0.601 (180deg=-0.715) USER MOD Single : A 70 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.89) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 47:sc= -3.42! USER MOD Single : A 81 LYS NZ :NH3+ -164:sc= -0.0386 (180deg=-0.281) USER MOD Single : A 82 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 83 GLN : amide:sc= -1.3 X(o=-1.3,f=-1) USER MOD Single : A 88 MET CE :methyl 140:sc= -8.8! (180deg=-11.4!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0218 F(o=-1.7!,f=-0.022) USER MOD Single : A 94 THR OG1 : rot 14:sc= 0.598! USER MOD Single : A 96 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.4!) USER MOD Single : A 97 ASN : amide:sc= -0.197 X(o=-0.2,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 43:sc= 1.22 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 43:sc= 0.771 USER MOD Single : A 112 ASN :FLIP amide:sc= -0.178 F(o=-5.1!,f=-0.18) USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= -0.0521 (180deg=-0.326) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.0931 USER MOD Single : A 118 GLN : amide:sc= -1.5 K(o=-1.5,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.018 -7.668 -8.895 1.00 0.00 N ATOM 2 CA GLY A 1 -19.372 -8.195 -8.571 1.00 0.00 C ATOM 3 C GLY A 1 -19.364 -9.112 -7.364 1.00 0.00 C ATOM 4 O GLY A 1 -18.947 -8.713 -6.277 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.077 -7.047 -9.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.653 -7.128 -8.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.377 -8.461 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.048 -7.361 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.763 -8.737 -9.432 1.00 0.00 H new ATOM 10 N ALA A 2 -19.826 -10.344 -7.556 1.00 0.00 N ATOM 11 CA ALA A 2 -19.870 -11.319 -6.474 1.00 0.00 C ATOM 12 C ALA A 2 -18.491 -11.915 -6.217 1.00 0.00 C ATOM 13 O ALA A 2 -18.122 -12.932 -6.807 1.00 0.00 O ATOM 14 CB ALA A 2 -20.873 -12.418 -6.794 1.00 0.00 C ATOM 0 H ALA A 2 -20.175 -10.689 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.189 -10.805 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.895 -13.139 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.864 -11.981 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.579 -12.922 -7.715 1.00 0.00 H new ATOM 20 N MET A 3 -17.731 -11.275 -5.334 1.00 0.00 N ATOM 21 CA MET A 3 -16.392 -11.740 -4.996 1.00 0.00 C ATOM 22 C MET A 3 -16.107 -11.534 -3.510 1.00 0.00 C ATOM 23 O MET A 3 -16.359 -12.423 -2.696 1.00 0.00 O ATOM 24 CB MET A 3 -15.348 -11.008 -5.844 1.00 0.00 C ATOM 25 CG MET A 3 -13.930 -11.514 -5.637 1.00 0.00 C ATOM 26 SD MET A 3 -12.739 -10.700 -6.720 1.00 0.00 S ATOM 27 CE MET A 3 -11.218 -11.500 -6.213 1.00 0.00 C ATOM 0 H MET A 3 -18.021 -10.431 -4.839 1.00 0.00 H new ATOM 0 HA MET A 3 -16.334 -12.807 -5.211 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.611 -11.111 -6.897 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.383 -9.944 -5.609 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.639 -11.355 -4.599 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.902 -12.589 -5.815 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.611 -11.718 -7.092 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.665 -10.840 -5.544 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.451 -12.430 -5.694 1.00 0.00 H new ATOM 37 N ASP A 4 -15.593 -10.355 -3.164 1.00 0.00 N ATOM 38 CA ASP A 4 -15.277 -10.026 -1.776 1.00 0.00 C ATOM 39 C ASP A 4 -14.474 -11.141 -1.112 1.00 0.00 C ATOM 40 O ASP A 4 -15.036 -12.021 -0.461 1.00 0.00 O ATOM 41 CB ASP A 4 -16.563 -9.767 -0.988 1.00 0.00 C ATOM 42 CG ASP A 4 -17.432 -8.705 -1.633 1.00 0.00 C ATOM 43 OD1 ASP A 4 -17.230 -7.510 -1.333 1.00 0.00 O ATOM 44 OD2 ASP A 4 -18.316 -9.070 -2.436 1.00 0.00 O ATOM 0 H ASP A 4 -15.386 -9.610 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.668 -9.122 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.129 -10.695 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -16.309 -9.458 0.026 1.00 0.00 H new ATOM 49 N ASN A 5 -13.156 -11.094 -1.279 1.00 0.00 N ATOM 50 CA ASN A 5 -12.276 -12.102 -0.699 1.00 0.00 C ATOM 51 C ASN A 5 -12.358 -12.090 0.825 1.00 0.00 C ATOM 52 O ASN A 5 -12.382 -13.142 1.463 1.00 0.00 O ATOM 53 CB ASN A 5 -10.833 -11.864 -1.144 1.00 0.00 C ATOM 54 CG ASN A 5 -10.679 -11.900 -2.652 1.00 0.00 C ATOM 55 OD1 ASN A 5 -11.409 -12.609 -3.345 1.00 0.00 O ATOM 56 ND2 ASN A 5 -9.725 -11.134 -3.167 1.00 0.00 N ATOM 0 H ASN A 5 -12.674 -10.369 -1.811 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.604 -13.079 -1.053 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.495 -10.897 -0.770 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.189 -12.621 -0.698 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.573 -11.117 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.144 -10.562 -2.554 1.00 0.00 H new ATOM 63 N VAL A 6 -12.404 -10.892 1.402 1.00 0.00 N ATOM 64 CA VAL A 6 -12.479 -10.744 2.851 1.00 0.00 C ATOM 65 C VAL A 6 -13.634 -9.832 3.252 1.00 0.00 C ATOM 66 O VAL A 6 -14.080 -9.001 2.460 1.00 0.00 O ATOM 67 CB VAL A 6 -11.170 -10.167 3.425 1.00 0.00 C ATOM 68 CG1 VAL A 6 -11.091 -10.404 4.926 1.00 0.00 C ATOM 69 CG2 VAL A 6 -9.963 -10.764 2.718 1.00 0.00 C ATOM 0 H VAL A 6 -12.391 -10.011 0.888 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.643 -11.741 3.261 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.166 -9.091 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.160 -9.989 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.935 -9.918 5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.122 -11.475 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.050 -10.343 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -9.960 -11.846 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.013 -10.532 1.654 1.00 0.00 H new ATOM 79 N CYS A 7 -14.118 -9.995 4.481 1.00 0.00 N ATOM 80 CA CYS A 7 -15.220 -9.179 4.981 1.00 0.00 C ATOM 81 C CYS A 7 -14.878 -7.696 4.874 1.00 0.00 C ATOM 82 O CYS A 7 -15.376 -6.996 3.992 1.00 0.00 O ATOM 83 CB CYS A 7 -15.532 -9.540 6.435 1.00 0.00 C ATOM 84 SG CYS A 7 -16.014 -11.265 6.680 1.00 0.00 S ATOM 0 H CYS A 7 -13.765 -10.683 5.147 1.00 0.00 H new ATOM 0 HA CYS A 7 -16.100 -9.380 4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.655 -9.329 7.047 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -16.334 -8.895 6.794 1.00 0.00 H new ATOM 0 HG CYS A 7 -16.255 -11.473 7.940 1.00 0.00 H new ATOM 90 N GLN A 8 -14.024 -7.225 5.780 1.00 0.00 N ATOM 91 CA GLN A 8 -13.604 -5.829 5.781 1.00 0.00 C ATOM 92 C GLN A 8 -12.096 -5.724 5.995 1.00 0.00 C ATOM 93 O GLN A 8 -11.487 -6.592 6.620 1.00 0.00 O ATOM 94 CB GLN A 8 -14.343 -5.039 6.856 1.00 0.00 C ATOM 95 CG GLN A 8 -15.855 -5.100 6.724 1.00 0.00 C ATOM 96 CD GLN A 8 -16.570 -4.263 7.767 1.00 0.00 C ATOM 97 OE1 GLN A 8 -15.968 -4.140 8.946 1.00 0.00 O flip ATOM 98 NE2 GLN A 8 -17.654 -3.736 7.518 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.611 -7.790 6.522 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.852 -5.402 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.057 -5.420 7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.025 -3.997 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.143 -4.757 5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.181 -6.136 6.810 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.081 -3.856 6.599 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.126 -3.179 8.230 1.00 0.00 H new ATOM 107 N PRO A 9 -11.475 -4.650 5.477 1.00 0.00 N ATOM 108 CA PRO A 9 -10.035 -4.430 5.585 1.00 0.00 C ATOM 109 C PRO A 9 -9.614 -3.658 6.830 1.00 0.00 C ATOM 110 O PRO A 9 -10.348 -3.569 7.815 1.00 0.00 O ATOM 111 CB PRO A 9 -9.760 -3.583 4.357 1.00 0.00 C ATOM 112 CG PRO A 9 -10.958 -2.709 4.276 1.00 0.00 C ATOM 113 CD PRO A 9 -12.122 -3.560 4.723 1.00 0.00 C ATOM 0 HA PRO A 9 -9.491 -5.372 5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.844 -3.002 4.465 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.646 -4.195 3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.846 -1.833 4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.108 -2.345 3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.816 -2.997 5.346 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.691 -3.940 3.875 1.00 0.00 H new ATOM 121 N THR A 10 -8.413 -3.096 6.742 1.00 0.00 N ATOM 122 CA THR A 10 -7.804 -2.311 7.807 1.00 0.00 C ATOM 123 C THR A 10 -6.381 -1.963 7.391 1.00 0.00 C ATOM 124 O THR A 10 -5.909 -0.843 7.581 1.00 0.00 O ATOM 125 CB THR A 10 -7.773 -3.079 9.143 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.001 -2.360 10.112 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.195 -4.471 8.956 1.00 0.00 C ATOM 0 H THR A 10 -7.825 -3.176 5.912 1.00 0.00 H new ATOM 0 HA THR A 10 -8.401 -1.412 7.960 1.00 0.00 H new ATOM 0 HB THR A 10 -8.798 -3.174 9.500 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.990 -2.857 10.956 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.184 -4.992 9.913 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.808 -5.027 8.247 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.177 -4.394 8.573 1.00 0.00 H new ATOM 135 N GLU A 11 -5.719 -2.958 6.819 1.00 0.00 N ATOM 136 CA GLU A 11 -4.359 -2.834 6.318 1.00 0.00 C ATOM 137 C GLU A 11 -4.026 -4.055 5.488 1.00 0.00 C ATOM 138 O GLU A 11 -4.324 -5.181 5.885 1.00 0.00 O ATOM 139 CB GLU A 11 -3.354 -2.688 7.453 1.00 0.00 C ATOM 140 CG GLU A 11 -3.371 -3.847 8.426 1.00 0.00 C ATOM 141 CD GLU A 11 -2.343 -3.702 9.530 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.627 -2.987 10.515 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.255 -4.303 9.412 1.00 0.00 O ATOM 0 H GLU A 11 -6.118 -3.888 6.688 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.297 -1.934 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.353 -2.592 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.561 -1.765 7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.364 -3.929 8.869 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.186 -4.774 7.883 1.00 0.00 H new ATOM 150 N PHE A 12 -3.417 -3.839 4.341 1.00 0.00 N ATOM 151 CA PHE A 12 -3.062 -4.951 3.477 1.00 0.00 C ATOM 152 C PHE A 12 -1.571 -4.952 3.213 1.00 0.00 C ATOM 153 O PHE A 12 -0.990 -3.939 2.820 1.00 0.00 O ATOM 154 CB PHE A 12 -3.877 -4.943 2.174 1.00 0.00 C ATOM 155 CG PHE A 12 -3.433 -3.955 1.130 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.472 -4.304 0.197 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.001 -2.693 1.061 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.082 -3.412 -0.783 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.618 -1.796 0.082 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.655 -2.159 -0.842 1.00 0.00 C ATOM 0 H PHE A 12 -3.159 -2.918 3.986 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.315 -5.878 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.842 -5.942 1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.919 -4.739 2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.022 -5.285 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.753 -2.407 1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.329 -3.696 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.069 -0.816 0.039 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.352 -1.462 -1.609 1.00 0.00 H new ATOM 170 N ILE A 13 -0.958 -6.097 3.448 1.00 0.00 N ATOM 171 CA ILE A 13 0.471 -6.242 3.274 1.00 0.00 C ATOM 172 C ILE A 13 0.844 -6.478 1.824 1.00 0.00 C ATOM 173 O ILE A 13 0.634 -7.561 1.287 1.00 0.00 O ATOM 174 CB ILE A 13 1.019 -7.405 4.113 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.571 -7.274 5.567 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.533 -7.441 4.014 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.262 -8.603 6.220 1.00 0.00 C ATOM 0 H ILE A 13 -1.433 -6.944 3.762 1.00 0.00 H new ATOM 0 HA ILE A 13 0.915 -5.304 3.608 1.00 0.00 H new ATOM 0 HB ILE A 13 0.622 -8.342 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.352 -6.770 6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.315 -6.641 5.611 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.917 -8.268 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.826 -7.578 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.944 -6.503 4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.050 -8.438 7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.540 -9.099 5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.153 -9.231 6.207 1.00 0.00 H new ATOM 189 N SER A 14 1.398 -5.459 1.192 1.00 0.00 N ATOM 190 CA SER A 14 1.831 -5.578 -0.184 1.00 0.00 C ATOM 191 C SER A 14 3.327 -5.375 -0.262 1.00 0.00 C ATOM 192 O SER A 14 3.854 -4.368 0.212 1.00 0.00 O ATOM 193 CB SER A 14 1.120 -4.552 -1.062 1.00 0.00 C ATOM 194 OG SER A 14 0.951 -5.041 -2.377 1.00 0.00 O ATOM 0 H SER A 14 1.557 -4.543 1.611 1.00 0.00 H new ATOM 0 HA SER A 14 1.579 -6.574 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.148 -4.312 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.696 -3.627 -1.085 1.00 0.00 H new ATOM 0 HG SER A 14 1.260 -4.368 -3.019 1.00 0.00 H new ATOM 200 N ARG A 15 4.007 -6.331 -0.864 1.00 0.00 N ATOM 201 CA ARG A 15 5.440 -6.250 -1.020 1.00 0.00 C ATOM 202 C ARG A 15 5.747 -5.660 -2.376 1.00 0.00 C ATOM 203 O ARG A 15 4.903 -5.693 -3.269 1.00 0.00 O ATOM 204 CB ARG A 15 6.084 -7.625 -0.857 1.00 0.00 C ATOM 205 CG ARG A 15 6.416 -7.963 0.587 1.00 0.00 C ATOM 206 CD ARG A 15 6.846 -9.411 0.743 1.00 0.00 C ATOM 207 NE ARG A 15 5.769 -10.344 0.426 1.00 0.00 N ATOM 208 CZ ARG A 15 5.618 -11.525 1.020 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.466 -11.909 1.965 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.618 -12.322 0.671 1.00 0.00 N ATOM 0 H ARG A 15 3.585 -7.174 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 15 5.857 -5.608 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.411 -8.384 -1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.997 -7.664 -1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.212 -7.307 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.545 -7.773 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.698 -9.607 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.181 -9.580 1.766 1.00 0.00 H new ATOM 0 HE ARG A 15 5.095 -10.076 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.236 -11.298 2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.348 -12.815 2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.963 -12.030 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.504 -13.227 1.128 1.00 0.00 H new ATOM 224 N HIS A 16 6.935 -5.107 -2.531 1.00 0.00 N ATOM 225 CA HIS A 16 7.300 -4.487 -3.791 1.00 0.00 C ATOM 226 C HIS A 16 8.782 -4.145 -3.831 1.00 0.00 C ATOM 227 O HIS A 16 9.503 -4.342 -2.853 1.00 0.00 O ATOM 228 CB HIS A 16 6.485 -3.210 -3.965 1.00 0.00 C ATOM 229 CG HIS A 16 6.704 -2.240 -2.850 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.944 -1.727 -2.552 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.850 -1.709 -1.942 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.852 -0.928 -1.513 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.591 -0.896 -1.124 1.00 0.00 N ATOM 0 H HIS A 16 7.656 -5.074 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 16 7.092 -5.190 -4.597 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.751 -2.738 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.426 -3.462 -4.021 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.804 -1.935 -3.060 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.788 -1.892 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.669 -0.389 -1.055 1.00 0.00 H new ATOM 242 N ASN A 17 9.228 -3.627 -4.968 1.00 0.00 N ATOM 243 CA ASN A 17 10.616 -3.220 -5.123 1.00 0.00 C ATOM 244 C ASN A 17 10.759 -1.768 -4.687 1.00 0.00 C ATOM 245 O ASN A 17 9.768 -1.129 -4.341 1.00 0.00 O ATOM 246 CB ASN A 17 11.078 -3.387 -6.574 1.00 0.00 C ATOM 247 CG ASN A 17 10.188 -2.656 -7.559 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.456 -1.739 -7.191 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.259 -3.050 -8.825 1.00 0.00 N ATOM 0 H ASN A 17 8.649 -3.479 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 17 11.245 -3.855 -4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.099 -3.018 -6.671 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.097 -4.447 -6.825 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.692 -2.587 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.880 -3.816 -9.087 1.00 0.00 H new ATOM 256 N ILE A 18 11.973 -1.240 -4.701 1.00 0.00 N ATOM 257 CA ILE A 18 12.184 0.141 -4.291 1.00 0.00 C ATOM 258 C ILE A 18 11.244 1.084 -5.041 1.00 0.00 C ATOM 259 O ILE A 18 10.722 2.042 -4.470 1.00 0.00 O ATOM 260 CB ILE A 18 13.631 0.596 -4.526 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.813 2.029 -4.024 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.983 0.486 -6.001 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.537 2.198 -2.548 1.00 0.00 C ATOM 0 H ILE A 18 12.816 -1.737 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 18 11.973 0.181 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 18 14.307 -0.052 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.834 2.350 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.151 2.688 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 18 15.012 0.812 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.878 -0.550 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.312 1.117 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.687 3.240 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.508 1.909 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.217 1.566 -1.976 1.00 0.00 H new ATOM 275 N GLU A 19 11.034 0.798 -6.324 1.00 0.00 N ATOM 276 CA GLU A 19 10.149 1.612 -7.158 1.00 0.00 C ATOM 277 C GLU A 19 8.757 1.636 -6.564 1.00 0.00 C ATOM 278 O GLU A 19 8.038 2.632 -6.649 1.00 0.00 O ATOM 279 CB GLU A 19 10.039 1.032 -8.572 1.00 0.00 C ATOM 280 CG GLU A 19 11.259 1.234 -9.446 1.00 0.00 C ATOM 281 CD GLU A 19 11.749 2.669 -9.457 1.00 0.00 C ATOM 282 OE1 GLU A 19 11.268 3.453 -10.301 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.615 3.007 -8.622 1.00 0.00 O ATOM 0 H GLU A 19 11.463 0.010 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 19 10.571 2.616 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.839 -0.037 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.178 1.482 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.061 0.585 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.023 0.928 -10.465 1.00 0.00 H new ATOM 290 N GLY A 20 8.397 0.523 -5.953 1.00 0.00 N ATOM 291 CA GLY A 20 7.088 0.383 -5.367 1.00 0.00 C ATOM 292 C GLY A 20 6.281 -0.677 -6.081 1.00 0.00 C ATOM 293 O GLY A 20 5.189 -1.041 -5.641 1.00 0.00 O ATOM 0 H GLY A 20 8.997 -0.295 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.184 0.122 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.562 1.337 -5.413 1.00 0.00 H new ATOM 297 N ILE A 21 6.821 -1.171 -7.196 1.00 0.00 N ATOM 298 CA ILE A 21 6.165 -2.202 -7.973 1.00 0.00 C ATOM 299 C ILE A 21 5.861 -3.406 -7.105 1.00 0.00 C ATOM 300 O ILE A 21 6.766 -4.101 -6.647 1.00 0.00 O ATOM 301 CB ILE A 21 7.032 -2.657 -9.140 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.632 -1.440 -9.861 1.00 0.00 C ATOM 303 CG2 ILE A 21 6.196 -3.529 -10.062 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.648 -0.651 -10.696 1.00 0.00 C ATOM 0 H ILE A 21 7.717 -0.866 -7.576 1.00 0.00 H new ATOM 0 HA ILE A 21 5.241 -1.773 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 21 7.872 -3.253 -8.783 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.072 -0.775 -9.118 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.443 -1.780 -10.505 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.807 -3.861 -10.902 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.833 -4.397 -9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.347 -2.955 -10.435 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.161 0.188 -11.166 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.225 -1.296 -11.466 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.848 -0.276 -10.058 1.00 0.00 H new ATOM 316 N PHE A 22 4.585 -3.670 -6.932 1.00 0.00 N ATOM 317 CA PHE A 22 4.129 -4.752 -6.084 1.00 0.00 C ATOM 318 C PHE A 22 4.624 -6.123 -6.524 1.00 0.00 C ATOM 319 O PHE A 22 4.191 -6.663 -7.538 1.00 0.00 O ATOM 320 CB PHE A 22 2.614 -4.747 -6.047 1.00 0.00 C ATOM 321 CG PHE A 22 2.032 -3.643 -5.206 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.608 -3.279 -3.996 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.903 -2.972 -5.627 1.00 0.00 C ATOM 324 CE1 PHE A 22 2.057 -2.264 -3.234 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.350 -1.965 -4.871 1.00 0.00 C ATOM 326 CZ PHE A 22 0.925 -1.609 -3.676 1.00 0.00 C ATOM 0 H PHE A 22 3.833 -3.141 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 22 4.548 -4.577 -5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.235 -4.654 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.266 -5.706 -5.663 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.492 -3.792 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.445 -3.242 -6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.512 -1.985 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.536 -1.454 -5.217 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.492 -0.817 -3.082 1.00 0.00 H new ATOM 336 N THR A 23 5.534 -6.679 -5.740 1.00 0.00 N ATOM 337 CA THR A 23 6.051 -8.009 -5.993 1.00 0.00 C ATOM 338 C THR A 23 5.162 -9.010 -5.267 1.00 0.00 C ATOM 339 O THR A 23 5.343 -10.225 -5.356 1.00 0.00 O ATOM 340 CB THR A 23 7.507 -8.143 -5.517 1.00 0.00 C ATOM 341 OG1 THR A 23 7.578 -7.971 -4.097 1.00 0.00 O ATOM 342 CG2 THR A 23 8.377 -7.105 -6.206 1.00 0.00 C ATOM 0 H THR A 23 5.930 -6.224 -4.918 1.00 0.00 H new ATOM 0 HA THR A 23 6.044 -8.202 -7.066 1.00 0.00 H new ATOM 0 HB THR A 23 7.870 -9.138 -5.773 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.509 -8.060 -3.803 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.406 -7.207 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.338 -7.255 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.012 -6.107 -5.965 1.00 0.00 H new ATOM 350 N PHE A 24 4.190 -8.449 -4.543 1.00 0.00 N ATOM 351 CA PHE A 24 3.211 -9.207 -3.779 1.00 0.00 C ATOM 352 C PHE A 24 2.159 -8.258 -3.220 1.00 0.00 C ATOM 353 O PHE A 24 2.443 -7.093 -2.954 1.00 0.00 O ATOM 354 CB PHE A 24 3.866 -9.979 -2.630 1.00 0.00 C ATOM 355 CG PHE A 24 2.874 -10.488 -1.613 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.263 -11.722 -1.778 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.534 -9.722 -0.503 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.338 -12.182 -0.859 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.605 -10.178 0.414 1.00 0.00 C ATOM 360 CZ PHE A 24 1.008 -11.408 0.238 1.00 0.00 C ATOM 0 H PHE A 24 4.064 -7.439 -4.474 1.00 0.00 H new ATOM 0 HA PHE A 24 2.747 -9.931 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.423 -10.822 -3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.588 -9.332 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.513 -12.331 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.001 -8.760 -0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.873 -13.147 -0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.347 -9.570 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.284 -11.766 0.955 1.00 0.00 H new ATOM 370 N VAL A 25 0.940 -8.754 -3.070 1.00 0.00 N ATOM 371 CA VAL A 25 -0.152 -7.965 -2.516 1.00 0.00 C ATOM 372 C VAL A 25 -1.093 -8.863 -1.739 1.00 0.00 C ATOM 373 O VAL A 25 -1.594 -9.861 -2.254 1.00 0.00 O ATOM 374 CB VAL A 25 -0.956 -7.201 -3.594 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.765 -6.089 -2.965 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.049 -6.650 -4.678 1.00 0.00 C ATOM 0 H VAL A 25 0.680 -9.707 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 25 0.302 -7.222 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.639 -7.910 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.324 -5.563 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.460 -6.511 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.095 -5.391 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.648 -6.119 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.672 -5.963 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.481 -7.471 -5.161 1.00 0.00 H new ATOM 386 N ASP A 26 -1.301 -8.513 -0.488 1.00 0.00 N ATOM 387 CA ASP A 26 -2.177 -9.267 0.384 1.00 0.00 C ATOM 388 C ASP A 26 -3.625 -9.137 -0.099 1.00 0.00 C ATOM 389 O ASP A 26 -4.089 -8.039 -0.398 1.00 0.00 O ATOM 390 CB ASP A 26 -1.985 -8.767 1.813 1.00 0.00 C ATOM 391 CG ASP A 26 -3.159 -9.066 2.721 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.720 -10.177 2.623 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.515 -8.191 3.537 1.00 0.00 O ATOM 0 H ASP A 26 -0.869 -7.701 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.933 -10.329 0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.087 -9.222 2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.816 -7.690 1.793 1.00 0.00 H new ATOM 398 N HIS A 27 -4.322 -10.272 -0.186 1.00 0.00 N ATOM 399 CA HIS A 27 -5.704 -10.323 -0.684 1.00 0.00 C ATOM 400 C HIS A 27 -6.654 -9.346 0.006 1.00 0.00 C ATOM 401 O HIS A 27 -7.774 -9.148 -0.461 1.00 0.00 O ATOM 402 CB HIS A 27 -6.249 -11.750 -0.596 1.00 0.00 C ATOM 403 CG HIS A 27 -6.427 -12.252 0.804 1.00 0.00 C ATOM 404 ND1 HIS A 27 -7.640 -12.681 1.300 1.00 0.00 N ATOM 405 CD2 HIS A 27 -5.535 -12.408 1.810 1.00 0.00 C ATOM 406 CE1 HIS A 27 -7.487 -13.079 2.550 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.219 -12.924 2.883 1.00 0.00 N ATOM 0 H HIS A 27 -3.948 -11.181 0.085 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.657 -10.006 -1.726 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.209 -11.793 -1.111 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.572 -12.419 -1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.482 -12.171 1.775 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.266 -13.465 3.190 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.813 -13.151 3.791 1.00 0.00 H new ATOM 416 N ARG A 28 -6.238 -8.747 1.111 1.00 0.00 N ATOM 417 CA ARG A 28 -7.090 -7.784 1.797 1.00 0.00 C ATOM 418 C ARG A 28 -7.217 -6.522 0.957 1.00 0.00 C ATOM 419 O ARG A 28 -8.188 -5.776 1.063 1.00 0.00 O ATOM 420 CB ARG A 28 -6.523 -7.439 3.169 1.00 0.00 C ATOM 421 CG ARG A 28 -6.978 -8.385 4.264 1.00 0.00 C ATOM 422 CD ARG A 28 -7.064 -7.675 5.601 1.00 0.00 C ATOM 423 NE ARG A 28 -5.747 -7.476 6.202 1.00 0.00 N ATOM 424 CZ ARG A 28 -5.522 -7.512 7.512 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.519 -7.750 8.354 1.00 0.00 N ATOM 426 NH2 ARG A 28 -4.298 -7.315 7.981 1.00 0.00 N ATOM 0 H ARG A 28 -5.330 -8.906 1.548 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.075 -8.230 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.434 -7.451 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.818 -6.423 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.952 -8.801 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.283 -9.222 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.551 -6.709 5.468 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.688 -8.256 6.280 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.956 -7.300 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.462 -7.906 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.343 -7.777 9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.528 -7.136 7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.126 -7.343 8.986 1.00 0.00 H new ATOM 440 N CYS A 29 -6.202 -6.303 0.135 1.00 0.00 N ATOM 441 CA CYS A 29 -6.122 -5.154 -0.746 1.00 0.00 C ATOM 442 C CYS A 29 -7.415 -4.898 -1.519 1.00 0.00 C ATOM 443 O CYS A 29 -7.689 -3.767 -1.897 1.00 0.00 O ATOM 444 CB CYS A 29 -4.979 -5.370 -1.728 1.00 0.00 C ATOM 445 SG CYS A 29 -5.235 -6.753 -2.857 1.00 0.00 S ATOM 0 H CYS A 29 -5.400 -6.929 0.062 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.950 -4.276 -0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.837 -4.460 -2.311 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.059 -5.537 -1.168 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.199 -6.467 -3.682 1.00 0.00 H new ATOM 451 N VAL A 30 -8.203 -5.933 -1.781 1.00 0.00 N ATOM 452 CA VAL A 30 -9.446 -5.732 -2.521 1.00 0.00 C ATOM 453 C VAL A 30 -10.515 -5.119 -1.618 1.00 0.00 C ATOM 454 O VAL A 30 -11.383 -4.385 -2.075 1.00 0.00 O ATOM 455 CB VAL A 30 -9.962 -7.034 -3.174 1.00 0.00 C ATOM 456 CG1 VAL A 30 -8.935 -8.144 -3.053 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.286 -7.461 -2.577 1.00 0.00 C ATOM 0 H VAL A 30 -8.013 -6.896 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.227 -5.037 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.123 -6.832 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.322 -9.050 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.014 -7.843 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.731 -8.338 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.622 -8.380 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.164 -7.634 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.026 -6.677 -2.735 1.00 0.00 H new ATOM 467 N ALA A 31 -10.472 -5.448 -0.336 1.00 0.00 N ATOM 468 CA ALA A 31 -11.416 -4.881 0.613 1.00 0.00 C ATOM 469 C ALA A 31 -10.952 -3.491 1.011 1.00 0.00 C ATOM 470 O ALA A 31 -11.752 -2.621 1.355 1.00 0.00 O ATOM 471 CB ALA A 31 -11.537 -5.762 1.842 1.00 0.00 C ATOM 0 H ALA A 31 -9.799 -6.099 0.068 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.397 -4.819 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.248 -5.319 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.886 -6.752 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.563 -5.850 2.324 1.00 0.00 H new ATOM 477 N THR A 32 -9.640 -3.299 0.927 1.00 0.00 N ATOM 478 CA THR A 32 -8.997 -2.044 1.297 1.00 0.00 C ATOM 479 C THR A 32 -9.058 -0.999 0.189 1.00 0.00 C ATOM 480 O THR A 32 -9.617 0.082 0.371 1.00 0.00 O ATOM 481 CB THR A 32 -7.521 -2.312 1.613 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.395 -3.465 2.453 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.885 -1.121 2.288 1.00 0.00 C ATOM 0 H THR A 32 -8.990 -4.013 0.599 1.00 0.00 H new ATOM 0 HA THR A 32 -9.534 -1.653 2.161 1.00 0.00 H new ATOM 0 HB THR A 32 -7.004 -2.493 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.584 -4.272 1.931 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.838 -1.339 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.949 -0.254 1.631 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.408 -0.909 3.221 1.00 0.00 H new ATOM 491 N VAL A 33 -8.482 -1.332 -0.957 1.00 0.00 N ATOM 492 CA VAL A 33 -8.450 -0.428 -2.092 1.00 0.00 C ATOM 493 C VAL A 33 -9.240 -0.967 -3.273 1.00 0.00 C ATOM 494 O VAL A 33 -9.155 -0.440 -4.376 1.00 0.00 O ATOM 495 CB VAL A 33 -7.002 -0.147 -2.519 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.278 0.580 -1.405 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.287 -1.438 -2.852 1.00 0.00 C ATOM 0 H VAL A 33 -8.028 -2.230 -1.123 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.920 0.502 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.011 0.479 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.250 0.779 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.784 1.523 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.278 -0.038 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.262 -1.219 -3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.278 -2.085 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.805 -1.941 -3.669 1.00 0.00 H new ATOM 507 N GLY A 34 -9.990 -2.037 -3.045 1.00 0.00 N ATOM 508 CA GLY A 34 -10.807 -2.602 -4.113 1.00 0.00 C ATOM 509 C GLY A 34 -10.000 -3.409 -5.107 1.00 0.00 C ATOM 510 O GLY A 34 -10.498 -4.373 -5.690 1.00 0.00 O ATOM 0 H GLY A 34 -10.051 -2.523 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.577 -3.238 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.319 -1.795 -4.638 1.00 0.00 H new ATOM 514 N TYR A 35 -8.754 -3.012 -5.295 1.00 0.00 N ATOM 515 CA TYR A 35 -7.865 -3.680 -6.226 1.00 0.00 C ATOM 516 C TYR A 35 -7.422 -5.038 -5.714 1.00 0.00 C ATOM 517 O TYR A 35 -6.801 -5.137 -4.658 1.00 0.00 O ATOM 518 CB TYR A 35 -6.648 -2.811 -6.470 1.00 0.00 C ATOM 519 CG TYR A 35 -6.998 -1.520 -7.141 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.675 -1.511 -8.350 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.660 -0.313 -6.565 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.005 -0.334 -8.967 1.00 0.00 C ATOM 523 CE2 TYR A 35 -6.981 0.877 -7.175 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.657 0.866 -8.379 1.00 0.00 C ATOM 525 OH TYR A 35 -7.982 2.053 -8.993 1.00 0.00 O ATOM 0 H TYR A 35 -8.332 -2.221 -4.809 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.412 -3.838 -7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.157 -2.603 -5.520 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.933 -3.356 -7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.947 -2.448 -8.813 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.135 -0.302 -5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.534 -0.344 -9.908 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.706 1.815 -6.715 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.654 2.525 -8.458 1.00 0.00 H new ATOM 535 N GLN A 36 -7.750 -6.081 -6.464 1.00 0.00 N ATOM 536 CA GLN A 36 -7.350 -7.425 -6.102 1.00 0.00 C ATOM 537 C GLN A 36 -5.827 -7.485 -6.048 1.00 0.00 C ATOM 538 O GLN A 36 -5.164 -6.635 -6.638 1.00 0.00 O ATOM 539 CB GLN A 36 -7.886 -8.417 -7.133 1.00 0.00 C ATOM 540 CG GLN A 36 -9.390 -8.320 -7.341 1.00 0.00 C ATOM 541 CD GLN A 36 -9.890 -9.246 -8.432 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.315 -10.307 -8.673 1.00 0.00 O ATOM 543 NE2 GLN A 36 -10.969 -8.849 -9.096 1.00 0.00 N ATOM 0 H GLN A 36 -8.292 -6.018 -7.326 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.758 -7.688 -5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.383 -8.247 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.635 -9.429 -6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.898 -8.558 -6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.652 -7.293 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.414 -7.961 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.353 -9.432 -9.840 1.00 0.00 H new ATOM 552 N PRO A 37 -5.235 -8.454 -5.334 1.00 0.00 N ATOM 553 CA PRO A 37 -3.789 -8.551 -5.255 1.00 0.00 C ATOM 554 C PRO A 37 -3.140 -8.465 -6.626 1.00 0.00 C ATOM 555 O PRO A 37 -2.107 -7.825 -6.784 1.00 0.00 O ATOM 556 CB PRO A 37 -3.524 -9.909 -4.628 1.00 0.00 C ATOM 557 CG PRO A 37 -4.807 -10.381 -4.045 1.00 0.00 C ATOM 558 CD PRO A 37 -5.915 -9.489 -4.544 1.00 0.00 C ATOM 0 HA PRO A 37 -3.368 -7.730 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.159 -10.613 -5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.756 -9.834 -3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.995 -11.416 -4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.761 -10.355 -2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.628 -10.046 -5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.474 -9.052 -3.717 1.00 0.00 H new ATOM 566 N GLN A 38 -3.747 -9.119 -7.613 1.00 0.00 N ATOM 567 CA GLN A 38 -3.226 -9.086 -8.976 1.00 0.00 C ATOM 568 C GLN A 38 -3.467 -7.714 -9.591 1.00 0.00 C ATOM 569 O GLN A 38 -2.718 -7.265 -10.459 1.00 0.00 O ATOM 570 CB GLN A 38 -3.873 -10.171 -9.831 1.00 0.00 C ATOM 571 CG GLN A 38 -5.381 -10.164 -9.750 1.00 0.00 C ATOM 572 CD GLN A 38 -6.005 -11.429 -10.306 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.462 -12.053 -11.218 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.152 -11.813 -9.758 1.00 0.00 N ATOM 0 H GLN A 38 -4.594 -9.675 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.153 -9.277 -8.941 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.570 -10.037 -10.869 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.502 -11.146 -9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.684 -10.042 -8.710 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.766 -9.304 -10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.566 -11.265 -9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.619 -12.656 -10.091 1.00 0.00 H new ATOM 583 N GLU A 39 -4.525 -7.056 -9.127 1.00 0.00 N ATOM 584 CA GLU A 39 -4.883 -5.726 -9.593 1.00 0.00 C ATOM 585 C GLU A 39 -3.852 -4.711 -9.114 1.00 0.00 C ATOM 586 O GLU A 39 -3.872 -3.546 -9.513 1.00 0.00 O ATOM 587 CB GLU A 39 -6.266 -5.354 -9.057 1.00 0.00 C ATOM 588 CG GLU A 39 -7.296 -5.070 -10.135 1.00 0.00 C ATOM 589 CD GLU A 39 -8.695 -5.485 -9.724 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.267 -4.836 -8.825 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.215 -6.465 -10.298 1.00 0.00 O ATOM 0 H GLU A 39 -5.156 -7.431 -8.419 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.903 -5.720 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.630 -6.166 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.172 -4.475 -8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.290 -4.005 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.017 -5.597 -11.047 1.00 0.00 H new ATOM 598 N LEU A 40 -2.951 -5.173 -8.251 1.00 0.00 N ATOM 599 CA LEU A 40 -1.904 -4.331 -7.694 1.00 0.00 C ATOM 600 C LEU A 40 -0.531 -4.854 -8.098 1.00 0.00 C ATOM 601 O LEU A 40 0.385 -4.087 -8.380 1.00 0.00 O ATOM 602 CB LEU A 40 -2.016 -4.321 -6.169 1.00 0.00 C ATOM 603 CG LEU A 40 -2.745 -3.138 -5.519 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.208 -2.104 -6.536 1.00 0.00 C ATOM 605 CD2 LEU A 40 -3.918 -3.660 -4.712 1.00 0.00 C ATOM 0 H LEU A 40 -2.929 -6.138 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.023 -3.319 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.522 -5.237 -5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.007 -4.361 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.039 -2.627 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.717 -1.290 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.345 -1.710 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.894 -2.571 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.441 -2.824 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.603 -4.195 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.555 -4.336 -3.938 1.00 0.00 H new ATOM 617 N LEU A 41 -0.410 -6.174 -8.126 1.00 0.00 N ATOM 618 CA LEU A 41 0.838 -6.842 -8.474 1.00 0.00 C ATOM 619 C LEU A 41 1.398 -6.340 -9.796 1.00 0.00 C ATOM 620 O LEU A 41 0.698 -6.287 -10.807 1.00 0.00 O ATOM 621 CB LEU A 41 0.610 -8.354 -8.533 1.00 0.00 C ATOM 622 CG LEU A 41 0.704 -9.071 -7.185 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.261 -10.246 -7.123 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.131 -9.532 -6.931 1.00 0.00 C ATOM 0 H LEU A 41 -1.175 -6.813 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 41 1.573 -6.612 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.375 -8.542 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.341 -8.791 -9.213 1.00 0.00 H new ATOM 0 HG LEU A 41 0.422 -8.366 -6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.174 -10.738 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.281 -9.886 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.020 -10.957 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.183 -10.041 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.438 -10.218 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.796 -8.668 -6.922 1.00 0.00 H new ATOM 636 N GLY A 42 2.673 -5.973 -9.768 1.00 0.00 N ATOM 637 CA GLY A 42 3.333 -5.475 -10.953 1.00 0.00 C ATOM 638 C GLY A 42 3.106 -3.993 -11.154 1.00 0.00 C ATOM 639 O GLY A 42 3.705 -3.376 -12.035 1.00 0.00 O ATOM 0 H GLY A 42 3.263 -6.013 -8.937 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.403 -5.670 -10.880 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.969 -6.018 -11.825 1.00 0.00 H new ATOM 643 N LYS A 43 2.236 -3.423 -10.330 1.00 0.00 N ATOM 644 CA LYS A 43 1.925 -2.005 -10.408 1.00 0.00 C ATOM 645 C LYS A 43 2.692 -1.223 -9.365 1.00 0.00 C ATOM 646 O LYS A 43 2.859 -1.669 -8.230 1.00 0.00 O ATOM 647 CB LYS A 43 0.435 -1.763 -10.193 1.00 0.00 C ATOM 648 CG LYS A 43 -0.451 -2.632 -11.051 1.00 0.00 C ATOM 649 CD LYS A 43 -1.744 -1.928 -11.411 1.00 0.00 C ATOM 650 CE LYS A 43 -2.300 -2.422 -12.736 1.00 0.00 C ATOM 651 NZ LYS A 43 -1.348 -2.194 -13.859 1.00 0.00 N ATOM 0 H LYS A 43 1.733 -3.925 -9.598 1.00 0.00 H new ATOM 0 HA LYS A 43 2.213 -1.668 -11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.195 -1.939 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.212 -0.716 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.080 -2.906 -11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.676 -3.558 -10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.480 -2.092 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.571 -0.853 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.525 -3.486 -12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.240 -1.912 -12.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.878 -2.084 -14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.796 -1.332 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.704 -3.007 -13.939 1.00 0.00 H new ATOM 665 N ASN A 44 3.152 -0.051 -9.757 1.00 0.00 N ATOM 666 CA ASN A 44 3.876 0.815 -8.848 1.00 0.00 C ATOM 667 C ASN A 44 2.912 1.343 -7.796 1.00 0.00 C ATOM 668 O ASN A 44 1.967 2.063 -8.108 1.00 0.00 O ATOM 669 CB ASN A 44 4.516 1.973 -9.619 1.00 0.00 C ATOM 670 CG ASN A 44 5.599 2.676 -8.836 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.325 3.565 -8.034 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.839 2.293 -9.087 1.00 0.00 N ATOM 0 H ASN A 44 3.037 0.323 -10.699 1.00 0.00 H new ATOM 0 HA ASN A 44 4.672 0.252 -8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.937 1.594 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.744 2.694 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.619 2.741 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.016 1.549 -9.762 1.00 0.00 H new ATOM 679 N ILE A 45 3.139 0.945 -6.554 1.00 0.00 N ATOM 680 CA ILE A 45 2.302 1.362 -5.443 1.00 0.00 C ATOM 681 C ILE A 45 2.055 2.867 -5.459 1.00 0.00 C ATOM 682 O ILE A 45 0.928 3.322 -5.260 1.00 0.00 O ATOM 683 CB ILE A 45 2.958 0.966 -4.112 1.00 0.00 C ATOM 684 CG1 ILE A 45 2.074 1.348 -2.934 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.313 1.620 -3.993 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.668 0.993 -1.587 1.00 0.00 C ATOM 0 H ILE A 45 3.906 0.326 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 45 1.341 0.858 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 45 3.085 -0.116 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.884 2.421 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.110 0.851 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.773 1.335 -3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.948 1.295 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.199 2.703 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.982 1.295 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.832 -0.083 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.619 1.511 -1.461 1.00 0.00 H new ATOM 698 N VAL A 46 3.109 3.633 -5.712 1.00 0.00 N ATOM 699 CA VAL A 46 3.001 5.083 -5.734 1.00 0.00 C ATOM 700 C VAL A 46 2.172 5.564 -6.923 1.00 0.00 C ATOM 701 O VAL A 46 1.574 6.637 -6.869 1.00 0.00 O ATOM 702 CB VAL A 46 4.375 5.790 -5.701 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.487 4.811 -5.370 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.649 6.528 -6.999 1.00 0.00 C ATOM 0 H VAL A 46 4.044 3.274 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 46 2.481 5.361 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 46 4.346 6.535 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.442 5.337 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.301 4.366 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.518 4.026 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.623 7.014 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.644 5.820 -7.828 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.877 7.280 -7.160 1.00 0.00 H new ATOM 714 N GLU A 47 2.165 4.800 -8.015 1.00 0.00 N ATOM 715 CA GLU A 47 1.373 5.186 -9.177 1.00 0.00 C ATOM 716 C GLU A 47 -0.066 5.449 -8.755 1.00 0.00 C ATOM 717 O GLU A 47 -0.747 6.303 -9.322 1.00 0.00 O ATOM 718 CB GLU A 47 1.417 4.111 -10.263 1.00 0.00 C ATOM 719 CG GLU A 47 2.489 4.350 -11.314 1.00 0.00 C ATOM 720 CD GLU A 47 2.415 3.358 -12.458 1.00 0.00 C ATOM 721 OE1 GLU A 47 1.620 3.588 -13.393 1.00 0.00 O ATOM 722 OE2 GLU A 47 3.150 2.349 -12.418 1.00 0.00 O ATOM 0 H GLU A 47 2.687 3.930 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 47 1.801 6.098 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.588 3.141 -9.796 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.445 4.061 -10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.388 5.361 -11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.472 4.287 -10.846 1.00 0.00 H new ATOM 729 N PHE A 48 -0.521 4.703 -7.752 1.00 0.00 N ATOM 730 CA PHE A 48 -1.866 4.879 -7.217 1.00 0.00 C ATOM 731 C PHE A 48 -1.840 6.029 -6.235 1.00 0.00 C ATOM 732 O PHE A 48 -2.791 6.802 -6.121 1.00 0.00 O ATOM 733 CB PHE A 48 -2.346 3.619 -6.499 1.00 0.00 C ATOM 734 CG PHE A 48 -2.466 2.423 -7.388 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.357 1.646 -7.674 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.690 2.071 -7.929 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.473 0.532 -8.489 1.00 0.00 C ATOM 738 CE2 PHE A 48 -3.809 0.965 -8.741 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.698 0.196 -9.020 1.00 0.00 C ATOM 0 H PHE A 48 0.022 3.971 -7.294 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.551 5.082 -8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.654 3.389 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.316 3.819 -6.043 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.395 1.910 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.562 2.670 -7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.604 -0.072 -8.707 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.769 0.700 -9.158 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.789 -0.672 -9.657 1.00 0.00 H new ATOM 749 N CYS A 49 -0.723 6.117 -5.528 1.00 0.00 N ATOM 750 CA CYS A 49 -0.504 7.169 -4.543 1.00 0.00 C ATOM 751 C CYS A 49 -0.715 8.539 -5.165 1.00 0.00 C ATOM 752 O CYS A 49 -0.413 8.745 -6.339 1.00 0.00 O ATOM 753 CB CYS A 49 0.922 7.090 -3.995 1.00 0.00 C ATOM 754 SG CYS A 49 1.371 8.456 -2.899 1.00 0.00 S ATOM 0 H CYS A 49 0.055 5.464 -5.619 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.220 7.026 -3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.040 6.151 -3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.620 7.066 -4.832 1.00 0.00 H new ATOM 0 HG CYS A 49 1.151 9.586 -3.502 1.00 0.00 H new ATOM 760 N HIS A 50 -1.247 9.473 -4.385 1.00 0.00 N ATOM 761 CA HIS A 50 -1.448 10.824 -4.879 1.00 0.00 C ATOM 762 C HIS A 50 -0.088 11.411 -5.226 1.00 0.00 C ATOM 763 O HIS A 50 0.818 11.363 -4.403 1.00 0.00 O ATOM 764 CB HIS A 50 -2.154 11.683 -3.831 1.00 0.00 C ATOM 765 CG HIS A 50 -2.591 13.024 -4.333 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.759 13.882 -5.020 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.788 13.656 -4.240 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.421 14.982 -5.328 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.653 14.870 -4.868 1.00 0.00 N ATOM 0 H HIS A 50 -1.543 9.320 -3.421 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.082 10.804 -5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.026 11.143 -3.462 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.485 11.825 -2.983 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.679 13.276 -3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.022 15.830 -5.865 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.387 15.572 -4.964 1.00 0.00 H new ATOM 778 N PRO A 51 0.087 11.942 -6.445 1.00 0.00 N ATOM 779 CA PRO A 51 1.368 12.496 -6.898 1.00 0.00 C ATOM 780 C PRO A 51 2.096 13.336 -5.849 1.00 0.00 C ATOM 781 O PRO A 51 3.262 13.082 -5.545 1.00 0.00 O ATOM 782 CB PRO A 51 0.953 13.342 -8.093 1.00 0.00 C ATOM 783 CG PRO A 51 -0.194 12.596 -8.668 1.00 0.00 C ATOM 784 CD PRO A 51 -0.949 12.060 -7.486 1.00 0.00 C ATOM 0 HA PRO A 51 2.090 11.711 -7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.665 14.349 -7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.765 13.445 -8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.823 13.248 -9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.147 11.789 -9.316 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.750 12.734 -7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.409 11.097 -7.706 1.00 0.00 H new ATOM 792 N GLU A 52 1.409 14.331 -5.297 1.00 0.00 N ATOM 793 CA GLU A 52 2.001 15.211 -4.294 1.00 0.00 C ATOM 794 C GLU A 52 2.575 14.424 -3.115 1.00 0.00 C ATOM 795 O GLU A 52 3.425 14.925 -2.379 1.00 0.00 O ATOM 796 CB GLU A 52 0.955 16.207 -3.796 1.00 0.00 C ATOM 797 CG GLU A 52 0.428 17.129 -4.883 1.00 0.00 C ATOM 798 CD GLU A 52 -0.550 18.158 -4.353 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.746 17.822 -4.211 1.00 0.00 O ATOM 800 OE2 GLU A 52 -0.122 19.298 -4.078 1.00 0.00 O ATOM 0 H GLU A 52 0.440 14.549 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 52 2.824 15.747 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.120 15.658 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.390 16.810 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.265 17.640 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.060 16.533 -5.654 1.00 0.00 H new ATOM 807 N ASP A 53 2.109 13.192 -2.944 1.00 0.00 N ATOM 808 CA ASP A 53 2.567 12.336 -1.854 1.00 0.00 C ATOM 809 C ASP A 53 3.412 11.163 -2.343 1.00 0.00 C ATOM 810 O ASP A 53 4.042 10.480 -1.535 1.00 0.00 O ATOM 811 CB ASP A 53 1.375 11.782 -1.074 1.00 0.00 C ATOM 812 CG ASP A 53 0.740 12.814 -0.162 1.00 0.00 C ATOM 813 OD1 ASP A 53 1.490 13.554 0.509 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.505 12.878 -0.115 1.00 0.00 O ATOM 0 H ASP A 53 1.410 12.761 -3.550 1.00 0.00 H new ATOM 0 HA ASP A 53 3.188 12.962 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.626 11.414 -1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.701 10.929 -0.479 1.00 0.00 H new ATOM 819 N GLN A 54 3.431 10.914 -3.651 1.00 0.00 N ATOM 820 CA GLN A 54 4.196 9.795 -4.179 1.00 0.00 C ATOM 821 C GLN A 54 5.674 9.951 -3.859 1.00 0.00 C ATOM 822 O GLN A 54 6.388 8.966 -3.683 1.00 0.00 O ATOM 823 CB GLN A 54 3.985 9.645 -5.685 1.00 0.00 C ATOM 824 CG GLN A 54 2.524 9.496 -6.077 1.00 0.00 C ATOM 825 CD GLN A 54 2.278 9.462 -7.578 1.00 0.00 C ATOM 826 OE1 GLN A 54 1.192 9.804 -8.046 1.00 0.00 O ATOM 827 NE2 GLN A 54 3.277 9.063 -8.341 1.00 0.00 N ATOM 0 H GLN A 54 2.933 11.464 -4.351 1.00 0.00 H new ATOM 0 HA GLN A 54 3.834 8.887 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.403 10.515 -6.192 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.539 8.775 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.133 8.579 -5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.959 10.323 -5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.163 8.787 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.164 9.031 -9.354 1.00 0.00 H new ATOM 836 N GLN A 55 6.130 11.196 -3.780 1.00 0.00 N ATOM 837 CA GLN A 55 7.523 11.474 -3.461 1.00 0.00 C ATOM 838 C GLN A 55 7.822 11.083 -2.018 1.00 0.00 C ATOM 839 O GLN A 55 8.954 10.748 -1.673 1.00 0.00 O ATOM 840 CB GLN A 55 7.833 12.953 -3.677 1.00 0.00 C ATOM 841 CG GLN A 55 9.303 13.301 -3.499 1.00 0.00 C ATOM 842 CD GLN A 55 10.185 12.657 -4.548 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.422 13.226 -5.613 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.681 11.462 -4.250 1.00 0.00 N ATOM 0 H GLN A 55 5.556 12.026 -3.932 1.00 0.00 H new ATOM 0 HA GLN A 55 8.155 10.883 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.520 13.238 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.241 13.545 -2.979 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.424 14.383 -3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.631 12.983 -2.509 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.459 11.026 -3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.284 10.980 -4.916 1.00 0.00 H new ATOM 853 N LEU A 56 6.789 11.133 -1.184 1.00 0.00 N ATOM 854 CA LEU A 56 6.900 10.783 0.216 1.00 0.00 C ATOM 855 C LEU A 56 6.876 9.275 0.360 1.00 0.00 C ATOM 856 O LEU A 56 7.555 8.702 1.211 1.00 0.00 O ATOM 857 CB LEU A 56 5.741 11.412 0.993 1.00 0.00 C ATOM 858 CG LEU A 56 5.398 10.752 2.327 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.827 11.627 3.491 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.908 10.458 2.389 1.00 0.00 C ATOM 0 H LEU A 56 5.851 11.419 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 56 7.839 11.162 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.979 12.459 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.853 11.394 0.361 1.00 0.00 H new ATOM 0 HG LEU A 56 5.944 9.812 2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.572 11.135 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.904 11.788 3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.314 12.587 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.669 9.987 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.349 11.389 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.635 9.787 1.575 1.00 0.00 H new ATOM 872 N LEU A 57 6.079 8.645 -0.487 1.00 0.00 N ATOM 873 CA LEU A 57 5.955 7.202 -0.486 1.00 0.00 C ATOM 874 C LEU A 57 7.278 6.581 -0.895 1.00 0.00 C ATOM 875 O LEU A 57 7.854 5.771 -0.169 1.00 0.00 O ATOM 876 CB LEU A 57 4.852 6.778 -1.450 1.00 0.00 C ATOM 877 CG LEU A 57 4.447 5.311 -1.364 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.107 4.947 0.068 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.273 5.030 -2.287 1.00 0.00 C ATOM 0 H LEU A 57 5.506 9.116 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 57 5.695 6.859 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.972 7.393 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.179 6.989 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 57 5.286 4.694 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.819 3.897 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.977 5.115 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.280 5.567 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.996 3.978 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.425 5.650 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.555 5.260 -3.314 1.00 0.00 H new ATOM 891 N ARG A 58 7.743 6.969 -2.073 1.00 0.00 N ATOM 892 CA ARG A 58 9.011 6.492 -2.593 1.00 0.00 C ATOM 893 C ARG A 58 10.117 6.770 -1.588 1.00 0.00 C ATOM 894 O ARG A 58 11.010 5.949 -1.386 1.00 0.00 O ATOM 895 CB ARG A 58 9.329 7.180 -3.920 1.00 0.00 C ATOM 896 CG ARG A 58 8.293 6.929 -5.001 1.00 0.00 C ATOM 897 CD ARG A 58 8.502 7.854 -6.188 1.00 0.00 C ATOM 898 NE ARG A 58 7.543 8.954 -6.207 1.00 0.00 N ATOM 899 CZ ARG A 58 7.714 10.068 -6.913 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.799 10.224 -7.660 1.00 0.00 N ATOM 901 NH2 ARG A 58 6.801 11.029 -6.875 1.00 0.00 N ATOM 0 H ARG A 58 7.255 7.618 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 58 8.942 5.417 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.413 8.254 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.301 6.836 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.351 5.892 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.294 7.078 -4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.514 8.257 -6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.414 7.282 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 58 6.695 8.863 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.505 9.488 -7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.927 11.079 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.964 10.915 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.936 11.882 -7.418 1.00 0.00 H new ATOM 915 N ASP A 59 10.042 7.941 -0.956 1.00 0.00 N ATOM 916 CA ASP A 59 11.026 8.334 0.047 1.00 0.00 C ATOM 917 C ASP A 59 11.116 7.279 1.120 1.00 0.00 C ATOM 918 O ASP A 59 12.206 6.852 1.498 1.00 0.00 O ATOM 919 CB ASP A 59 10.657 9.681 0.662 1.00 0.00 C ATOM 920 CG ASP A 59 11.662 10.137 1.703 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.638 10.819 1.326 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.474 9.811 2.893 1.00 0.00 O ATOM 0 H ASP A 59 9.310 8.632 -1.122 1.00 0.00 H new ATOM 0 HA ASP A 59 11.997 8.432 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.589 10.431 -0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.670 9.610 1.120 1.00 0.00 H new ATOM 927 N SER A 60 9.962 6.863 1.612 1.00 0.00 N ATOM 928 CA SER A 60 9.914 5.829 2.626 1.00 0.00 C ATOM 929 C SER A 60 10.709 4.617 2.162 1.00 0.00 C ATOM 930 O SER A 60 11.655 4.200 2.822 1.00 0.00 O ATOM 931 CB SER A 60 8.467 5.439 2.928 1.00 0.00 C ATOM 932 OG SER A 60 8.362 4.063 3.245 1.00 0.00 O ATOM 0 H SER A 60 9.052 7.224 1.327 1.00 0.00 H new ATOM 0 HA SER A 60 10.359 6.213 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.093 6.036 3.760 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.839 5.665 2.066 1.00 0.00 H new ATOM 0 HG SER A 60 7.464 3.743 3.020 1.00 0.00 H new ATOM 938 N PHE A 61 10.341 4.082 1.002 1.00 0.00 N ATOM 939 CA PHE A 61 11.018 2.918 0.446 1.00 0.00 C ATOM 940 C PHE A 61 12.515 3.145 0.359 1.00 0.00 C ATOM 941 O PHE A 61 13.301 2.221 0.560 1.00 0.00 O ATOM 942 CB PHE A 61 10.470 2.596 -0.943 1.00 0.00 C ATOM 943 CG PHE A 61 8.972 2.487 -0.981 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.275 1.953 0.092 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.261 2.920 -2.087 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.899 1.853 0.065 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.884 2.822 -2.122 1.00 0.00 C ATOM 948 CZ PHE A 61 6.202 2.289 -1.045 1.00 0.00 C ATOM 0 H PHE A 61 9.576 4.438 0.429 1.00 0.00 H new ATOM 0 HA PHE A 61 10.831 2.076 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.789 3.371 -1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.904 1.658 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.817 1.610 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.789 3.339 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.369 1.435 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.340 3.162 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.125 2.213 -1.071 1.00 0.00 H new ATOM 958 N GLN A 62 12.910 4.379 0.063 1.00 0.00 N ATOM 959 CA GLN A 62 14.320 4.704 -0.053 1.00 0.00 C ATOM 960 C GLN A 62 14.990 4.611 1.305 1.00 0.00 C ATOM 961 O GLN A 62 16.155 4.245 1.408 1.00 0.00 O ATOM 962 CB GLN A 62 14.501 6.109 -0.633 1.00 0.00 C ATOM 963 CG GLN A 62 13.873 6.287 -2.004 1.00 0.00 C ATOM 964 CD GLN A 62 14.901 6.550 -3.087 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.238 7.700 -3.371 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.404 5.485 -3.699 1.00 0.00 N ATOM 0 H GLN A 62 12.277 5.162 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 62 14.786 3.987 -0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.066 6.835 0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.566 6.331 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.304 5.393 -2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.166 7.116 -1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.096 4.550 -3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.099 5.601 -4.437 1.00 0.00 H new ATOM 975 N GLN A 63 14.234 4.927 2.345 1.00 0.00 N ATOM 976 CA GLN A 63 14.748 4.900 3.700 1.00 0.00 C ATOM 977 C GLN A 63 14.804 3.478 4.267 1.00 0.00 C ATOM 978 O GLN A 63 15.779 3.104 4.916 1.00 0.00 O ATOM 979 CB GLN A 63 13.872 5.783 4.571 1.00 0.00 C ATOM 980 CG GLN A 63 13.871 7.244 4.140 1.00 0.00 C ATOM 981 CD GLN A 63 15.231 7.899 4.288 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.996 7.463 5.283 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.588 8.793 3.520 1.00 0.00 N flip ATOM 0 H GLN A 63 13.256 5.207 2.272 1.00 0.00 H new ATOM 0 HA GLN A 63 15.771 5.275 3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.850 5.404 4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.214 5.716 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.551 7.312 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.141 7.793 4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.969 9.098 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.503 9.229 3.635 1.00 0.00 H new ATOM 992 N VAL A 64 13.760 2.690 4.022 1.00 0.00 N ATOM 993 CA VAL A 64 13.711 1.314 4.526 1.00 0.00 C ATOM 994 C VAL A 64 14.814 0.474 3.905 1.00 0.00 C ATOM 995 O VAL A 64 15.391 -0.402 4.552 1.00 0.00 O ATOM 996 CB VAL A 64 12.342 0.615 4.258 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.276 1.609 3.840 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.467 -0.484 3.208 1.00 0.00 C ATOM 0 H VAL A 64 12.942 2.974 3.483 1.00 0.00 H new ATOM 0 HA VAL A 64 13.849 1.387 5.605 1.00 0.00 H new ATOM 0 HB VAL A 64 12.037 0.160 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.338 1.083 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.135 2.346 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.588 2.114 2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.493 -0.947 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.822 -0.054 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.175 -1.237 3.552 1.00 0.00 H new ATOM 1008 N VAL A 65 15.094 0.753 2.648 1.00 0.00 N ATOM 1009 CA VAL A 65 16.096 0.024 1.905 1.00 0.00 C ATOM 1010 C VAL A 65 17.496 0.531 2.238 1.00 0.00 C ATOM 1011 O VAL A 65 18.470 -0.221 2.186 1.00 0.00 O ATOM 1012 CB VAL A 65 15.818 0.136 0.400 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.124 1.537 -0.105 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.587 -0.913 -0.375 1.00 0.00 C ATOM 0 H VAL A 65 14.633 1.491 2.115 1.00 0.00 H new ATOM 0 HA VAL A 65 16.046 -1.026 2.192 1.00 0.00 H new ATOM 0 HB VAL A 65 14.756 -0.050 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.919 1.591 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.499 2.258 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.174 1.768 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.371 -0.811 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.656 -0.779 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.288 -1.906 -0.038 1.00 0.00 H new ATOM 1024 N LYS A 66 17.583 1.812 2.580 1.00 0.00 N ATOM 1025 CA LYS A 66 18.853 2.421 2.956 1.00 0.00 C ATOM 1026 C LYS A 66 19.295 1.893 4.308 1.00 0.00 C ATOM 1027 O LYS A 66 20.473 1.626 4.542 1.00 0.00 O ATOM 1028 CB LYS A 66 18.706 3.939 3.046 1.00 0.00 C ATOM 1029 CG LYS A 66 18.919 4.655 1.723 1.00 0.00 C ATOM 1030 CD LYS A 66 18.525 6.124 1.809 1.00 0.00 C ATOM 1031 CE LYS A 66 19.399 6.888 2.792 1.00 0.00 C ATOM 1032 NZ LYS A 66 19.010 8.322 2.880 1.00 0.00 N ATOM 0 H LYS A 66 16.787 2.450 2.604 1.00 0.00 H new ATOM 0 HA LYS A 66 19.594 2.171 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.711 4.177 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.421 4.321 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.966 4.575 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.332 4.166 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.604 6.580 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.481 6.203 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.323 6.430 3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.442 6.813 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.858 8.902 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.556 8.614 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.344 8.453 3.668 1.00 0.00 H new ATOM 1046 N LEU A 67 18.318 1.751 5.190 1.00 0.00 N ATOM 1047 CA LEU A 67 18.551 1.274 6.541 1.00 0.00 C ATOM 1048 C LEU A 67 18.336 -0.232 6.621 1.00 0.00 C ATOM 1049 O LEU A 67 18.386 -0.826 7.699 1.00 0.00 O ATOM 1050 CB LEU A 67 17.613 2.017 7.480 1.00 0.00 C ATOM 1051 CG LEU A 67 17.627 3.539 7.298 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.630 4.204 8.233 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.026 4.085 7.527 1.00 0.00 C ATOM 0 H LEU A 67 17.341 1.964 4.988 1.00 0.00 H new ATOM 0 HA LEU A 67 19.583 1.467 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.597 1.652 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.884 1.782 8.509 1.00 0.00 H new ATOM 0 HG LEU A 67 17.331 3.766 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.658 5.284 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.627 3.834 8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.889 3.972 9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.021 5.167 7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.349 3.845 8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.714 3.635 6.811 1.00 0.00 H new ATOM 1065 N LYS A 68 18.109 -0.826 5.454 1.00 0.00 N ATOM 1066 CA LYS A 68 17.898 -2.266 5.311 1.00 0.00 C ATOM 1067 C LYS A 68 17.198 -2.884 6.518 1.00 0.00 C ATOM 1068 O LYS A 68 17.828 -3.549 7.343 1.00 0.00 O ATOM 1069 CB LYS A 68 19.235 -2.952 5.084 1.00 0.00 C ATOM 1070 CG LYS A 68 19.652 -3.029 3.629 1.00 0.00 C ATOM 1071 CD LYS A 68 19.012 -4.214 2.923 1.00 0.00 C ATOM 1072 CE LYS A 68 17.772 -3.800 2.151 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.078 -4.969 1.542 1.00 0.00 N ATOM 0 H LYS A 68 18.066 -0.318 4.571 1.00 0.00 H new ATOM 0 HA LYS A 68 17.242 -2.415 4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.004 -2.419 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.187 -3.962 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.371 -2.107 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.737 -3.110 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.733 -4.665 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.748 -4.976 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.086 -3.279 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.051 -3.095 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.476 -4.646 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.784 -5.642 1.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.489 -5.436 2.261 1.00 0.00 H new ATOM 1087 N GLY A 69 15.898 -2.657 6.611 1.00 0.00 N ATOM 1088 CA GLY A 69 15.115 -3.216 7.699 1.00 0.00 C ATOM 1089 C GLY A 69 14.279 -2.178 8.418 1.00 0.00 C ATOM 1090 O GLY A 69 13.107 -2.416 8.710 1.00 0.00 O ATOM 0 H GLY A 69 15.365 -2.092 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.460 -3.994 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.785 -3.694 8.414 1.00 0.00 H new ATOM 1094 N GLN A 70 14.882 -1.031 8.711 1.00 0.00 N ATOM 1095 CA GLN A 70 14.179 0.046 9.395 1.00 0.00 C ATOM 1096 C GLN A 70 12.861 0.344 8.694 1.00 0.00 C ATOM 1097 O GLN A 70 12.837 0.654 7.503 1.00 0.00 O ATOM 1098 CB GLN A 70 15.054 1.296 9.434 1.00 0.00 C ATOM 1099 CG GLN A 70 14.501 2.415 10.298 1.00 0.00 C ATOM 1100 CD GLN A 70 14.200 1.968 11.716 1.00 0.00 C ATOM 1101 OE1 GLN A 70 13.088 1.538 12.020 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.192 2.068 12.592 1.00 0.00 N ATOM 0 H GLN A 70 15.855 -0.824 8.485 1.00 0.00 H new ATOM 0 HA GLN A 70 13.964 -0.265 10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.043 1.023 9.802 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.184 1.667 8.417 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.218 3.235 10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.590 2.803 9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.099 2.430 12.297 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.048 1.783 13.561 1.00 0.00 H new ATOM 1111 N VAL A 71 11.766 0.249 9.438 1.00 0.00 N ATOM 1112 CA VAL A 71 10.445 0.483 8.876 1.00 0.00 C ATOM 1113 C VAL A 71 10.116 1.970 8.780 1.00 0.00 C ATOM 1114 O VAL A 71 10.466 2.766 9.652 1.00 0.00 O ATOM 1115 CB VAL A 71 9.350 -0.248 9.682 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.044 0.481 10.981 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.097 -0.419 8.839 1.00 0.00 C ATOM 0 H VAL A 71 11.768 0.012 10.430 1.00 0.00 H new ATOM 0 HA VAL A 71 10.465 0.076 7.865 1.00 0.00 H new ATOM 0 HB VAL A 71 9.723 -1.238 9.944 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.269 -0.058 11.527 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.947 0.534 11.590 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.697 1.490 10.759 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.334 -0.936 9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.723 0.560 8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.333 -1.004 7.950 1.00 0.00 H new ATOM 1127 N LEU A 72 9.441 2.320 7.693 1.00 0.00 N ATOM 1128 CA LEU A 72 9.043 3.684 7.406 1.00 0.00 C ATOM 1129 C LEU A 72 7.534 3.845 7.525 1.00 0.00 C ATOM 1130 O LEU A 72 6.778 2.905 7.269 1.00 0.00 O ATOM 1131 CB LEU A 72 9.473 4.036 5.983 1.00 0.00 C ATOM 1132 CG LEU A 72 10.898 4.561 5.821 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.957 6.034 6.160 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.876 3.770 6.680 1.00 0.00 C ATOM 0 H LEU A 72 9.152 1.652 6.978 1.00 0.00 H new ATOM 0 HA LEU A 72 9.521 4.348 8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.362 3.147 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.785 4.786 5.592 1.00 0.00 H new ATOM 0 HG LEU A 72 11.192 4.432 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.979 6.394 6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.296 6.588 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.639 6.183 7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.882 4.166 6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.591 3.855 7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.856 2.721 6.383 1.00 0.00 H new ATOM 1146 N SER A 73 7.102 5.039 7.907 1.00 0.00 N ATOM 1147 CA SER A 73 5.683 5.326 8.041 1.00 0.00 C ATOM 1148 C SER A 73 5.337 6.609 7.315 1.00 0.00 C ATOM 1149 O SER A 73 5.786 7.693 7.689 1.00 0.00 O ATOM 1150 CB SER A 73 5.286 5.445 9.506 1.00 0.00 C ATOM 1151 OG SER A 73 3.891 5.256 9.676 1.00 0.00 O ATOM 0 H SER A 73 7.715 5.824 8.129 1.00 0.00 H new ATOM 0 HA SER A 73 5.130 4.498 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.830 4.706 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.571 6.427 9.884 1.00 0.00 H new ATOM 0 HG SER A 73 3.663 5.336 10.626 1.00 0.00 H new ATOM 1157 N VAL A 74 4.536 6.478 6.272 1.00 0.00 N ATOM 1158 CA VAL A 74 4.128 7.639 5.482 1.00 0.00 C ATOM 1159 C VAL A 74 2.652 7.574 5.122 1.00 0.00 C ATOM 1160 O VAL A 74 2.148 6.522 4.735 1.00 0.00 O ATOM 1161 CB VAL A 74 4.949 7.763 4.178 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.429 7.937 4.478 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.718 6.559 3.285 1.00 0.00 C ATOM 0 H VAL A 74 4.155 5.589 5.950 1.00 0.00 H new ATOM 0 HA VAL A 74 4.314 8.513 6.106 1.00 0.00 H new ATOM 0 HB VAL A 74 4.609 8.653 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.982 8.022 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.577 8.840 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.791 7.074 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.304 6.665 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.023 5.653 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.660 6.492 3.031 1.00 0.00 H new ATOM 1173 N MET A 75 1.956 8.698 5.252 1.00 0.00 N ATOM 1174 CA MET A 75 0.545 8.731 4.902 1.00 0.00 C ATOM 1175 C MET A 75 0.364 9.303 3.520 1.00 0.00 C ATOM 1176 O MET A 75 0.868 10.381 3.205 1.00 0.00 O ATOM 1177 CB MET A 75 -0.295 9.545 5.877 1.00 0.00 C ATOM 1178 CG MET A 75 -0.540 8.859 7.203 1.00 0.00 C ATOM 1179 SD MET A 75 -1.949 9.552 8.084 1.00 0.00 S ATOM 1180 CE MET A 75 -3.276 9.073 6.983 1.00 0.00 C ATOM 0 H MET A 75 2.338 9.581 5.590 1.00 0.00 H new ATOM 0 HA MET A 75 0.199 7.698 4.944 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.201 10.498 6.059 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.256 9.769 5.413 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.708 7.796 7.033 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.352 8.945 7.824 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.193 9.587 7.273 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.016 9.345 5.960 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.429 7.996 7.045 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.357 8.575 2.700 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.614 9.015 1.338 1.00 0.00 C ATOM 1192 C PHE A 76 -2.031 8.670 0.906 1.00 0.00 C ATOM 1193 O PHE A 76 -2.728 7.910 1.570 1.00 0.00 O ATOM 1194 CB PHE A 76 0.388 8.372 0.386 1.00 0.00 C ATOM 1195 CG PHE A 76 0.063 6.943 0.072 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.389 5.928 0.955 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.579 6.617 -1.108 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.080 4.620 0.663 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.887 5.305 -1.404 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.554 4.307 -0.512 1.00 0.00 C ATOM 0 H PHE A 76 -0.777 7.678 2.945 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.503 10.099 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.419 8.944 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.384 8.424 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.891 6.165 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.842 7.398 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.337 3.837 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.387 5.061 -2.330 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.793 3.278 -0.739 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.445 9.235 -0.218 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.776 8.986 -0.752 1.00 0.00 C ATOM 1212 C ARG A 77 -3.725 7.932 -1.852 1.00 0.00 C ATOM 1213 O ARG A 77 -3.214 8.182 -2.943 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.375 10.285 -1.282 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.699 11.285 -0.186 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.759 12.710 -0.711 1.00 0.00 C ATOM 1217 NE ARG A 77 -3.491 13.131 -1.297 1.00 0.00 N ATOM 1218 CZ ARG A 77 -2.930 14.315 -1.067 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -3.516 15.185 -0.256 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -1.780 14.629 -1.649 1.00 0.00 N ATOM 0 H ARG A 77 -1.878 9.870 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.410 8.608 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.677 10.739 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.284 10.058 -1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.655 11.026 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.945 11.220 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.548 12.788 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.024 13.385 0.103 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.008 12.481 -1.917 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.400 14.947 0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.083 16.092 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.326 13.962 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.350 15.537 -1.472 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.252 6.750 -1.551 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.270 5.648 -2.504 1.00 0.00 C ATOM 1236 C PHE A 78 -5.531 5.683 -3.355 1.00 0.00 C ATOM 1237 O PHE A 78 -6.612 5.347 -2.870 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.216 4.302 -1.763 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.858 3.132 -2.648 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.766 2.626 -3.568 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.608 2.545 -2.562 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.427 1.555 -4.380 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.265 1.479 -3.371 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.174 0.985 -4.280 1.00 0.00 C ATOM 0 H PHE A 78 -4.674 6.531 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.397 5.755 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.487 4.371 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.185 4.113 -1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.746 3.071 -3.652 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.889 2.926 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.142 1.167 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.285 1.033 -3.291 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.907 0.152 -4.914 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.407 6.086 -4.617 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.564 6.089 -5.493 1.00 0.00 C ATOM 1256 C ARG A 79 -6.987 4.647 -5.679 1.00 0.00 C ATOM 1257 O ARG A 79 -6.374 3.901 -6.441 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.249 6.742 -6.841 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.437 6.769 -7.793 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.576 5.459 -8.542 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.373 5.601 -9.759 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.071 5.012 -10.912 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.991 4.250 -11.009 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.850 5.187 -11.972 1.00 0.00 N ATOM 0 H ARG A 79 -4.538 6.406 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.368 6.675 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.906 7.763 -6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.427 6.204 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.350 6.968 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.316 7.586 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.586 5.083 -8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.039 4.717 -7.891 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.208 6.185 -9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.388 4.114 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.762 3.800 -11.895 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.681 5.774 -11.903 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.617 4.735 -12.856 1.00 0.00 H new ATOM 1278 N SER A 80 -8.020 4.255 -4.959 1.00 0.00 N ATOM 1279 CA SER A 80 -8.491 2.892 -4.996 1.00 0.00 C ATOM 1280 C SER A 80 -9.412 2.605 -6.172 1.00 0.00 C ATOM 1281 O SER A 80 -9.614 3.447 -7.044 1.00 0.00 O ATOM 1282 CB SER A 80 -9.179 2.580 -3.679 1.00 0.00 C ATOM 1283 OG SER A 80 -8.240 2.602 -2.623 1.00 0.00 O ATOM 0 H SER A 80 -8.549 4.868 -4.339 1.00 0.00 H new ATOM 0 HA SER A 80 -7.627 2.242 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.967 3.309 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.656 1.601 -3.732 1.00 0.00 H new ATOM 0 HG SER A 80 -7.687 3.408 -2.694 1.00 0.00 H new ATOM 1289 N LYS A 81 -9.944 1.387 -6.185 1.00 0.00 N ATOM 1290 CA LYS A 81 -10.836 0.934 -7.234 1.00 0.00 C ATOM 1291 C LYS A 81 -12.068 1.829 -7.330 1.00 0.00 C ATOM 1292 O LYS A 81 -12.741 1.867 -8.361 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.243 -0.514 -6.968 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.810 -1.184 -8.191 1.00 0.00 C ATOM 1295 CD LYS A 81 -10.993 -2.395 -8.576 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.630 -3.126 -9.733 1.00 0.00 C ATOM 1297 NZ LYS A 81 -12.942 -3.725 -9.361 1.00 0.00 N ATOM 0 H LYS A 81 -9.765 0.688 -5.464 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.312 0.990 -8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.376 -1.074 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.982 -0.540 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.841 -1.483 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.831 -0.477 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.983 -2.087 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.904 -3.066 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.770 -2.436 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.958 -3.911 -10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.216 -4.431 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.863 -4.184 -8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.665 -2.978 -9.318 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.353 2.553 -6.251 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.502 3.452 -6.213 1.00 0.00 C ATOM 1313 C ASN A 82 -13.135 4.823 -6.765 1.00 0.00 C ATOM 1314 O ASN A 82 -13.966 5.731 -6.810 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.017 3.597 -4.783 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.362 2.263 -4.152 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.484 1.773 -4.282 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -13.396 1.670 -3.460 1.00 0.00 N ATOM 0 H ASN A 82 -11.804 2.534 -5.392 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.287 3.021 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.261 4.097 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.901 4.235 -4.781 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.569 0.771 -3.010 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.481 2.113 -3.379 1.00 0.00 H new ATOM 1325 N GLN A 83 -11.880 4.959 -7.179 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.373 6.207 -7.736 1.00 0.00 C ATOM 1327 C GLN A 83 -11.415 7.313 -6.690 1.00 0.00 C ATOM 1328 O GLN A 83 -11.687 8.473 -7.001 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.185 6.605 -8.967 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.467 5.438 -9.899 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.093 5.737 -11.336 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.164 6.881 -11.785 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.688 4.705 -12.066 1.00 0.00 N ATOM 0 H GLN A 83 -11.188 4.210 -7.138 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.336 6.058 -8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.130 7.042 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.647 7.378 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.913 4.563 -9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.526 5.185 -9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.645 3.774 -11.653 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.420 4.843 -13.040 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.137 6.938 -5.446 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.143 7.881 -4.338 1.00 0.00 C ATOM 1344 C GLU A 84 -9.801 7.884 -3.616 1.00 0.00 C ATOM 1345 O GLU A 84 -9.178 6.837 -3.440 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.260 7.527 -3.362 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.647 7.828 -3.900 1.00 0.00 C ATOM 1348 CD GLU A 84 -13.948 9.314 -3.941 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -14.450 9.845 -2.928 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -13.682 9.946 -4.985 1.00 0.00 O ATOM 0 H GLU A 84 -10.904 5.981 -5.181 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.316 8.880 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.196 6.467 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.110 8.079 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.741 7.414 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.390 7.328 -3.279 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.359 9.066 -3.197 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.092 9.202 -2.493 1.00 0.00 C ATOM 1359 C TRP A 85 -8.175 8.573 -1.103 1.00 0.00 C ATOM 1360 O TRP A 85 -8.481 9.250 -0.121 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.704 10.680 -2.393 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.232 11.263 -3.689 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.681 12.394 -4.298 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.215 10.732 -4.527 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.004 12.592 -5.481 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.095 11.578 -5.641 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.400 9.616 -4.436 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.180 11.334 -6.663 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.490 9.369 -5.443 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.387 10.225 -6.547 1.00 0.00 C ATOM 0 H TRP A 85 -9.861 9.943 -3.334 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.322 8.674 -3.056 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.563 11.250 -2.039 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.918 10.791 -1.646 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.454 13.041 -3.911 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.154 13.364 -6.130 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.476 8.949 -3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.100 11.995 -7.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.848 8.503 -5.379 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.667 10.005 -7.322 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.898 7.273 -1.033 1.00 0.00 N ATOM 1382 CA LEU A 86 -7.943 6.538 0.227 1.00 0.00 C ATOM 1383 C LEU A 86 -6.708 6.804 1.077 1.00 0.00 C ATOM 1384 O LEU A 86 -5.640 6.259 0.808 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.050 5.031 -0.036 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.362 4.542 -0.661 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.632 3.109 -0.236 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.524 5.444 -0.272 1.00 0.00 C ATOM 0 H LEU A 86 -7.639 6.705 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.822 6.885 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.229 4.739 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.905 4.508 0.909 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.263 4.579 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.565 2.767 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.814 2.470 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.710 3.060 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.441 5.073 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.635 5.447 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.329 6.458 -0.620 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.853 7.620 2.117 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.725 7.915 2.983 1.00 0.00 C ATOM 1402 C TRP A 87 -5.256 6.653 3.674 1.00 0.00 C ATOM 1403 O TRP A 87 -6.030 5.954 4.325 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.071 8.985 4.010 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.821 10.367 3.499 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.749 11.231 2.997 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.554 11.040 3.414 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.144 12.396 2.599 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.799 12.304 2.845 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.235 10.701 3.762 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.785 13.225 2.607 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.231 11.622 3.527 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.511 12.869 2.953 1.00 0.00 C ATOM 0 H TRP A 87 -7.726 8.080 2.375 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.918 8.304 2.361 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.120 8.889 4.292 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.482 8.822 4.913 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.807 11.027 2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.618 13.200 2.187 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.011 9.741 4.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.996 14.187 2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.213 11.376 3.791 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.703 13.564 2.780 1.00 0.00 H new ATOM 1424 N MET A 88 -3.979 6.375 3.518 1.00 0.00 N ATOM 1425 CA MET A 88 -3.371 5.189 4.088 1.00 0.00 C ATOM 1426 C MET A 88 -2.051 5.511 4.748 1.00 0.00 C ATOM 1427 O MET A 88 -1.435 6.538 4.479 1.00 0.00 O ATOM 1428 CB MET A 88 -3.121 4.155 2.994 1.00 0.00 C ATOM 1429 CG MET A 88 -4.353 3.799 2.202 1.00 0.00 C ATOM 1430 SD MET A 88 -5.221 2.368 2.849 1.00 0.00 S ATOM 1431 CE MET A 88 -6.478 2.192 1.593 1.00 0.00 C ATOM 0 H MET A 88 -3.332 6.964 2.993 1.00 0.00 H new ATOM 0 HA MET A 88 -4.059 4.796 4.837 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.360 4.537 2.313 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.718 3.250 3.448 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.030 4.653 2.193 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.069 3.606 1.168 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.628 1.135 1.374 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.413 2.624 1.950 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.162 2.709 0.687 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.635 4.614 5.615 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.371 4.736 6.307 1.00 0.00 C ATOM 1443 C ARG A 89 0.486 3.538 5.928 1.00 0.00 C ATOM 1444 O ARG A 89 0.107 2.397 6.192 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.583 4.761 7.818 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.639 5.750 8.269 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.159 6.550 9.462 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.091 5.746 10.679 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.994 6.266 11.900 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.957 7.583 12.060 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.934 5.471 12.959 1.00 0.00 N ATOM 0 H ARG A 89 -2.165 3.778 5.860 1.00 0.00 H new ATOM 0 HA ARG A 89 0.118 5.667 6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.866 3.763 8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.362 5.005 8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.884 6.425 7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.554 5.217 8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.173 6.963 9.247 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.830 7.394 9.624 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.119 4.730 10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.003 8.197 11.247 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.883 7.981 12.996 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.962 4.458 12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.860 5.872 13.894 1.00 0.00 H new ATOM 1465 N THR A 90 1.632 3.781 5.316 1.00 0.00 N ATOM 1466 CA THR A 90 2.480 2.682 4.877 1.00 0.00 C ATOM 1467 C THR A 90 3.534 2.294 5.890 1.00 0.00 C ATOM 1468 O THR A 90 4.182 3.153 6.496 1.00 0.00 O ATOM 1469 CB THR A 90 3.209 3.010 3.572 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.416 3.723 3.850 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.329 3.832 2.664 1.00 0.00 C ATOM 0 H THR A 90 1.994 4.713 5.113 1.00 0.00 H new ATOM 0 HA THR A 90 1.790 1.850 4.739 1.00 0.00 H new ATOM 0 HB THR A 90 3.452 2.074 3.070 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.187 3.157 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.865 4.055 1.742 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.423 3.272 2.431 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.062 4.764 3.162 1.00 0.00 H new ATOM 1479 N SER A 91 3.696 0.983 6.043 1.00 0.00 N ATOM 1480 CA SER A 91 4.703 0.407 6.919 1.00 0.00 C ATOM 1481 C SER A 91 5.730 -0.292 6.038 1.00 0.00 C ATOM 1482 O SER A 91 5.804 -1.521 5.993 1.00 0.00 O ATOM 1483 CB SER A 91 4.062 -0.581 7.897 1.00 0.00 C ATOM 1484 OG SER A 91 3.817 0.029 9.153 1.00 0.00 O ATOM 0 H SER A 91 3.127 0.289 5.558 1.00 0.00 H new ATOM 0 HA SER A 91 5.183 1.184 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.126 -0.953 7.481 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.716 -1.443 8.029 1.00 0.00 H new ATOM 0 HG SER A 91 3.406 -0.623 9.759 1.00 0.00 H new ATOM 1490 N SER A 92 6.511 0.516 5.328 1.00 0.00 N ATOM 1491 CA SER A 92 7.507 0.013 4.390 1.00 0.00 C ATOM 1492 C SER A 92 8.799 -0.396 5.078 1.00 0.00 C ATOM 1493 O SER A 92 9.416 0.384 5.790 1.00 0.00 O ATOM 1494 CB SER A 92 7.801 1.075 3.335 1.00 0.00 C ATOM 1495 OG SER A 92 6.660 1.880 3.093 1.00 0.00 O ATOM 0 H SER A 92 6.471 1.534 5.386 1.00 0.00 H new ATOM 0 HA SER A 92 7.091 -0.880 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.629 1.702 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.115 0.595 2.408 1.00 0.00 H new ATOM 0 HG SER A 92 6.702 2.242 2.183 1.00 0.00 H new ATOM 1501 N GLN A 93 9.203 -1.629 4.842 1.00 0.00 N ATOM 1502 CA GLN A 93 10.427 -2.163 5.413 1.00 0.00 C ATOM 1503 C GLN A 93 10.856 -3.392 4.634 1.00 0.00 C ATOM 1504 O GLN A 93 10.013 -4.141 4.148 1.00 0.00 O ATOM 1505 CB GLN A 93 10.230 -2.508 6.884 1.00 0.00 C ATOM 1506 CG GLN A 93 9.139 -3.533 7.135 1.00 0.00 C ATOM 1507 CD GLN A 93 9.011 -3.876 8.601 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.114 -3.751 9.321 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 7.937 -4.241 9.079 1.00 0.00 N flip ATOM 0 H GLN A 93 8.695 -2.288 4.252 1.00 0.00 H new ATOM 0 HA GLN A 93 11.208 -1.405 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.170 -2.886 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.991 -1.596 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.188 -3.147 6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.355 -4.439 6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.114 -4.322 8.482 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.870 -4.463 10.072 1.00 0.00 H new ATOM 1518 N THR A 94 12.161 -3.600 4.525 1.00 0.00 N ATOM 1519 CA THR A 94 12.689 -4.732 3.780 1.00 0.00 C ATOM 1520 C THR A 94 11.904 -5.998 4.088 1.00 0.00 C ATOM 1521 O THR A 94 11.890 -6.484 5.219 1.00 0.00 O ATOM 1522 CB THR A 94 14.175 -4.934 4.088 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.338 -5.565 5.365 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.877 -3.589 4.088 1.00 0.00 C ATOM 0 H THR A 94 12.872 -3.000 4.943 1.00 0.00 H new ATOM 0 HA THR A 94 12.583 -4.516 2.717 1.00 0.00 H new ATOM 0 HB THR A 94 14.612 -5.576 3.323 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.477 -5.923 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.935 -3.731 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.769 -3.122 3.109 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.432 -2.946 4.848 1.00 0.00 H new ATOM 1532 N ALA A 95 11.244 -6.514 3.056 1.00 0.00 N ATOM 1533 CA ALA A 95 10.411 -7.701 3.178 1.00 0.00 C ATOM 1534 C ALA A 95 11.131 -8.867 3.847 1.00 0.00 C ATOM 1535 O ALA A 95 12.339 -8.825 4.076 1.00 0.00 O ATOM 1536 CB ALA A 95 9.890 -8.107 1.812 1.00 0.00 C ATOM 0 H ALA A 95 11.272 -6.121 2.115 1.00 0.00 H new ATOM 0 HA ALA A 95 9.575 -7.443 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.267 -8.996 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.298 -7.294 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.730 -8.323 1.152 1.00 0.00 H new ATOM 1542 N GLN A 96 10.364 -9.906 4.154 1.00 0.00 N ATOM 1543 CA GLN A 96 10.886 -11.097 4.806 1.00 0.00 C ATOM 1544 C GLN A 96 11.729 -11.927 3.863 1.00 0.00 C ATOM 1545 O GLN A 96 12.959 -11.856 3.881 1.00 0.00 O ATOM 1546 CB GLN A 96 9.729 -11.928 5.340 1.00 0.00 C ATOM 1547 CG GLN A 96 8.694 -11.099 6.079 1.00 0.00 C ATOM 1548 CD GLN A 96 9.108 -10.786 7.504 1.00 0.00 C ATOM 1549 OE1 GLN A 96 9.823 -11.561 8.139 1.00 0.00 O ATOM 1550 NE2 GLN A 96 8.658 -9.646 8.015 1.00 0.00 N ATOM 0 H GLN A 96 9.364 -9.945 3.958 1.00 0.00 H new ATOM 0 HA GLN A 96 11.528 -10.782 5.629 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.247 -12.445 4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.118 -12.694 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.528 -10.167 5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.745 -11.635 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.068 -9.033 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.903 -9.383 8.970 1.00 0.00 H new ATOM 1559 N ASN A 97 11.059 -12.709 3.039 1.00 0.00 N ATOM 1560 CA ASN A 97 11.738 -13.573 2.092 1.00 0.00 C ATOM 1561 C ASN A 97 10.734 -14.216 1.134 1.00 0.00 C ATOM 1562 O ASN A 97 9.575 -14.423 1.494 1.00 0.00 O ATOM 1563 CB ASN A 97 12.514 -14.640 2.861 1.00 0.00 C ATOM 1564 CG ASN A 97 11.619 -15.739 3.399 1.00 0.00 C ATOM 1565 OD1 ASN A 97 11.115 -15.652 4.519 1.00 0.00 O ATOM 1566 ND2 ASN A 97 11.415 -16.782 2.601 1.00 0.00 N ATOM 0 H ASN A 97 10.041 -12.764 3.006 1.00 0.00 H new ATOM 0 HA ASN A 97 12.433 -12.983 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.267 -15.078 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.045 -14.171 3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.821 -17.552 2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.853 -16.813 1.680 1.00 0.00 H new ATOM 1573 N PRO A 98 11.158 -14.542 -0.103 1.00 0.00 N ATOM 1574 CA PRO A 98 12.525 -14.332 -0.581 1.00 0.00 C ATOM 1575 C PRO A 98 12.748 -12.893 -1.020 1.00 0.00 C ATOM 1576 O PRO A 98 13.809 -12.539 -1.534 1.00 0.00 O ATOM 1577 CB PRO A 98 12.583 -15.270 -1.779 1.00 0.00 C ATOM 1578 CG PRO A 98 11.220 -15.205 -2.346 1.00 0.00 C ATOM 1579 CD PRO A 98 10.305 -15.109 -1.164 1.00 0.00 C ATOM 0 HA PRO A 98 13.284 -14.521 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 98 13.333 -14.949 -2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.843 -16.285 -1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.107 -14.342 -3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 98 11.000 -16.090 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.448 -14.469 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 98 9.912 -16.086 -0.882 1.00 0.00 H new ATOM 1587 N TYR A 99 11.729 -12.072 -0.806 1.00 0.00 N ATOM 1588 CA TYR A 99 11.764 -10.675 -1.176 1.00 0.00 C ATOM 1589 C TYR A 99 12.443 -9.837 -0.099 1.00 0.00 C ATOM 1590 O TYR A 99 12.085 -8.688 0.124 1.00 0.00 O ATOM 1591 CB TYR A 99 10.330 -10.203 -1.412 1.00 0.00 C ATOM 1592 CG TYR A 99 9.418 -11.315 -1.889 1.00 0.00 C ATOM 1593 CD1 TYR A 99 9.570 -11.868 -3.156 1.00 0.00 C ATOM 1594 CD2 TYR A 99 8.419 -11.827 -1.069 1.00 0.00 C ATOM 1595 CE1 TYR A 99 8.750 -12.892 -3.592 1.00 0.00 C ATOM 1596 CE2 TYR A 99 7.597 -12.852 -1.499 1.00 0.00 C ATOM 1597 CZ TYR A 99 7.766 -13.379 -2.761 1.00 0.00 C ATOM 1598 OH TYR A 99 6.949 -14.398 -3.193 1.00 0.00 O ATOM 0 H TYR A 99 10.854 -12.363 -0.369 1.00 0.00 H new ATOM 0 HA TYR A 99 12.348 -10.553 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.933 -9.785 -0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.333 -9.400 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.342 -11.491 -3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.283 -11.417 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.881 -13.308 -4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.826 -13.238 -0.849 1.00 0.00 H new ATOM 0 HH TYR A 99 6.309 -14.626 -2.487 1.00 0.00 H new ATOM 1608 N SER A 100 13.437 -10.417 0.562 1.00 0.00 N ATOM 1609 CA SER A 100 14.155 -9.714 1.617 1.00 0.00 C ATOM 1610 C SER A 100 14.786 -8.431 1.089 1.00 0.00 C ATOM 1611 O SER A 100 14.776 -7.401 1.765 1.00 0.00 O ATOM 1612 CB SER A 100 15.229 -10.616 2.226 1.00 0.00 C ATOM 1613 OG SER A 100 15.920 -9.952 3.271 1.00 0.00 O ATOM 0 H SER A 100 13.763 -11.368 0.387 1.00 0.00 H new ATOM 0 HA SER A 100 13.436 -9.448 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 100 14.769 -11.526 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.936 -10.918 1.453 1.00 0.00 H new ATOM 0 HG SER A 100 16.600 -10.550 3.645 1.00 0.00 H new ATOM 1619 N ASP A 101 15.335 -8.497 -0.118 1.00 0.00 N ATOM 1620 CA ASP A 101 15.963 -7.336 -0.733 1.00 0.00 C ATOM 1621 C ASP A 101 14.905 -6.354 -1.221 1.00 0.00 C ATOM 1622 O ASP A 101 15.226 -5.275 -1.720 1.00 0.00 O ATOM 1623 CB ASP A 101 16.855 -7.769 -1.897 1.00 0.00 C ATOM 1624 CG ASP A 101 17.932 -8.745 -1.466 1.00 0.00 C ATOM 1625 OD1 ASP A 101 19.030 -8.288 -1.085 1.00 0.00 O ATOM 1626 OD2 ASP A 101 17.677 -9.967 -1.508 1.00 0.00 O ATOM 0 H ASP A 101 15.358 -9.342 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 101 16.580 -6.840 0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 101 16.240 -8.229 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.322 -6.889 -2.341 1.00 0.00 H new ATOM 1631 N GLU A 102 13.640 -6.737 -1.071 1.00 0.00 N ATOM 1632 CA GLU A 102 12.531 -5.901 -1.487 1.00 0.00 C ATOM 1633 C GLU A 102 12.076 -5.001 -0.354 1.00 0.00 C ATOM 1634 O GLU A 102 12.856 -4.657 0.534 1.00 0.00 O ATOM 1635 CB GLU A 102 11.370 -6.765 -1.941 1.00 0.00 C ATOM 1636 CG GLU A 102 11.653 -7.540 -3.206 1.00 0.00 C ATOM 1637 CD GLU A 102 12.751 -6.927 -4.057 1.00 0.00 C ATOM 1638 OE1 GLU A 102 12.443 -6.023 -4.861 1.00 0.00 O ATOM 1639 OE2 GLU A 102 13.916 -7.355 -3.921 1.00 0.00 O ATOM 0 H GLU A 102 13.362 -7.629 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 102 12.870 -5.278 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.116 -7.465 -1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.497 -6.132 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.934 -8.560 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.739 -7.604 -3.796 1.00 0.00 H new ATOM 1646 N ILE A 103 10.803 -4.630 -0.392 1.00 0.00 N ATOM 1647 CA ILE A 103 10.229 -3.767 0.627 1.00 0.00 C ATOM 1648 C ILE A 103 8.766 -4.096 0.877 1.00 0.00 C ATOM 1649 O ILE A 103 7.886 -3.735 0.093 1.00 0.00 O ATOM 1650 CB ILE A 103 10.346 -2.277 0.232 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.813 -1.896 0.020 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.685 -1.380 1.279 1.00 0.00 C ATOM 1653 CD1 ILE A 103 12.018 -0.525 -0.590 1.00 0.00 C ATOM 0 H ILE A 103 10.148 -4.915 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 103 10.796 -3.944 1.541 1.00 0.00 H new ATOM 0 HB ILE A 103 9.817 -2.126 -0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.329 -1.935 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.281 -2.641 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.781 -0.337 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.629 -1.637 1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.173 -1.525 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.085 -0.334 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.534 -0.485 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.583 0.232 0.062 1.00 0.00 H new ATOM 1665 N GLU A 104 8.526 -4.800 1.970 1.00 0.00 N ATOM 1666 CA GLU A 104 7.195 -5.160 2.379 1.00 0.00 C ATOM 1667 C GLU A 104 6.514 -3.955 3.000 1.00 0.00 C ATOM 1668 O GLU A 104 6.871 -3.510 4.091 1.00 0.00 O ATOM 1669 CB GLU A 104 7.278 -6.304 3.366 1.00 0.00 C ATOM 1670 CG GLU A 104 5.941 -6.767 3.870 1.00 0.00 C ATOM 1671 CD GLU A 104 6.051 -7.811 4.962 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.260 -7.427 6.133 1.00 0.00 O ATOM 1673 OE2 GLU A 104 5.927 -9.014 4.649 1.00 0.00 O ATOM 0 H GLU A 104 9.258 -5.136 2.596 1.00 0.00 H new ATOM 0 HA GLU A 104 6.607 -5.479 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.788 -7.143 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.889 -5.996 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.385 -5.910 4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.367 -7.177 3.039 1.00 0.00 H new ATOM 1680 N THR A 105 5.535 -3.438 2.290 1.00 0.00 N ATOM 1681 CA THR A 105 4.810 -2.254 2.726 1.00 0.00 C ATOM 1682 C THR A 105 3.374 -2.574 3.131 1.00 0.00 C ATOM 1683 O THR A 105 2.579 -3.043 2.318 1.00 0.00 O ATOM 1684 CB THR A 105 4.823 -1.190 1.609 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.125 -0.612 1.525 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.797 -0.092 1.849 1.00 0.00 C ATOM 0 H THR A 105 5.217 -3.820 1.399 1.00 0.00 H new ATOM 0 HA THR A 105 5.316 -1.865 3.610 1.00 0.00 H new ATOM 0 HB THR A 105 4.562 -1.686 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.277 -0.279 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.844 0.633 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.799 -0.529 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.012 0.407 2.794 1.00 0.00 H new ATOM 1694 N ILE A 106 3.053 -2.312 4.397 1.00 0.00 N ATOM 1695 CA ILE A 106 1.709 -2.558 4.908 1.00 0.00 C ATOM 1696 C ILE A 106 0.861 -1.300 4.812 1.00 0.00 C ATOM 1697 O ILE A 106 0.981 -0.392 5.636 1.00 0.00 O ATOM 1698 CB ILE A 106 1.712 -3.039 6.374 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.416 -4.393 6.493 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.282 -3.133 6.903 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.922 -4.310 6.375 1.00 0.00 C ATOM 0 H ILE A 106 3.704 -1.931 5.084 1.00 0.00 H new ATOM 0 HA ILE A 106 1.287 -3.349 4.288 1.00 0.00 H new ATOM 0 HB ILE A 106 2.259 -2.313 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.160 -4.842 7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.036 -5.059 5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.299 -3.474 7.938 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.190 -2.152 6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.284 -3.841 6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.350 -5.308 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.188 -3.891 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.314 -3.671 7.166 1.00 0.00 H new ATOM 1713 N ILE A 107 0.005 -1.251 3.805 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.865 -0.108 3.604 1.00 0.00 C ATOM 1715 C ILE A 107 -2.121 -0.211 4.468 1.00 0.00 C ATOM 1716 O ILE A 107 -3.002 -1.026 4.199 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.257 0.016 2.131 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.003 0.196 1.289 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.211 1.182 1.943 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.240 0.077 -0.193 1.00 0.00 C ATOM 0 H ILE A 107 -0.105 -1.992 3.113 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.314 0.784 3.902 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.768 -0.891 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.435 1.174 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.740 -0.549 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.484 1.262 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.108 1.018 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.726 2.104 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.699 0.216 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.643 -0.911 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.953 0.839 -0.507 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.202 0.629 5.496 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.339 0.618 6.415 1.00 0.00 C ATOM 1734 C CYS A 108 -4.286 1.792 6.175 1.00 0.00 C ATOM 1735 O CYS A 108 -3.859 2.944 6.119 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.834 0.655 7.858 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.131 0.901 9.095 1.00 0.00 S ATOM 0 H CYS A 108 -1.492 1.328 5.715 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.898 -0.300 6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.316 -0.279 8.073 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.101 1.456 7.953 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.159 0.162 8.799 1.00 0.00 H new ATOM 1743 N THR A 109 -5.579 1.491 6.042 1.00 0.00 N ATOM 1744 CA THR A 109 -6.591 2.524 5.835 1.00 0.00 C ATOM 1745 C THR A 109 -6.659 3.442 7.050 1.00 0.00 C ATOM 1746 O THR A 109 -6.611 2.975 8.188 1.00 0.00 O ATOM 1747 CB THR A 109 -7.985 1.912 5.598 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.328 1.034 6.678 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.025 1.151 4.287 1.00 0.00 C ATOM 0 H THR A 109 -5.948 0.541 6.074 1.00 0.00 H new ATOM 0 HA THR A 109 -6.302 3.090 4.950 1.00 0.00 H new ATOM 0 HB THR A 109 -8.709 2.725 5.550 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.216 0.651 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.019 0.728 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.796 1.830 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.289 0.347 4.310 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.775 4.742 6.812 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.843 5.707 7.905 1.00 0.00 C ATOM 1759 C ASN A 110 -8.293 6.055 8.231 1.00 0.00 C ATOM 1760 O ASN A 110 -8.565 7.011 8.957 1.00 0.00 O ATOM 1761 CB ASN A 110 -6.064 6.976 7.550 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.704 7.795 8.775 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -4.485 7.615 9.272 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -6.507 8.592 9.260 1.00 0.00 N flip ATOM 0 H ASN A 110 -6.824 5.152 5.879 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.390 5.252 8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -5.153 6.703 7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.659 7.586 6.870 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.433 8.698 8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -6.246 9.146 10.076 1.00 0.00 H new ATOM 1771 N THR A 111 -9.221 5.270 7.692 1.00 0.00 N ATOM 1772 CA THR A 111 -10.643 5.495 7.926 1.00 0.00 C ATOM 1773 C THR A 111 -11.196 4.501 8.943 1.00 0.00 C ATOM 1774 O THR A 111 -11.521 3.363 8.602 1.00 0.00 O ATOM 1775 CB THR A 111 -11.452 5.383 6.618 1.00 0.00 C ATOM 1776 OG1 THR A 111 -11.238 4.101 6.016 1.00 0.00 O ATOM 1777 CG2 THR A 111 -11.055 6.480 5.641 1.00 0.00 C ATOM 0 H THR A 111 -9.014 4.473 7.090 1.00 0.00 H new ATOM 0 HA THR A 111 -10.744 6.506 8.320 1.00 0.00 H new ATOM 0 HB THR A 111 -12.509 5.498 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.261 3.407 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.639 6.381 4.726 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.247 7.454 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.994 6.392 5.406 1.00 0.00 H new ATOM 1785 N ASN A 112 -11.301 4.941 10.195 1.00 0.00 N ATOM 1786 CA ASN A 112 -11.813 4.093 11.268 1.00 0.00 C ATOM 1787 C ASN A 112 -12.127 4.925 12.515 1.00 0.00 C ATOM 1788 O ASN A 112 -12.709 6.003 12.407 1.00 0.00 O ATOM 1789 CB ASN A 112 -10.805 2.983 11.591 1.00 0.00 C ATOM 1790 CG ASN A 112 -9.375 3.487 11.687 1.00 0.00 C ATOM 1791 OD1 ASN A 112 -9.205 4.735 12.114 1.00 0.00 O flip ATOM 1792 ND2 ASN A 112 -8.430 2.759 11.382 1.00 0.00 N flip ATOM 0 H ASN A 112 -11.038 5.881 10.491 1.00 0.00 H new ATOM 0 HA ASN A 112 -12.741 3.630 10.933 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -11.082 2.512 12.534 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -10.862 2.213 10.821 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.603 1.807 11.059 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.474 3.108 11.453 1.00 0.00 H new ATOM 1799 N VAL A 113 -11.737 4.412 13.691 1.00 0.00 N ATOM 1800 CA VAL A 113 -11.964 5.086 14.975 1.00 0.00 C ATOM 1801 C VAL A 113 -13.346 5.737 15.063 1.00 0.00 C ATOM 1802 O VAL A 113 -13.578 6.816 14.519 1.00 0.00 O ATOM 1803 CB VAL A 113 -10.869 6.137 15.286 1.00 0.00 C ATOM 1804 CG1 VAL A 113 -9.537 5.451 15.548 1.00 0.00 C ATOM 1805 CG2 VAL A 113 -10.729 7.154 14.162 1.00 0.00 C ATOM 0 H VAL A 113 -11.255 3.517 13.777 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.913 4.299 15.728 1.00 0.00 H new ATOM 0 HB VAL A 113 -11.174 6.676 16.183 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -8.777 6.202 15.765 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.636 4.778 16.400 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -9.242 4.881 14.667 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -9.952 7.874 14.418 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.459 6.641 13.239 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.676 7.676 14.024 1.00 0.00 H new ATOM 1815 N LYS A 114 -14.256 5.068 15.775 1.00 0.00 N ATOM 1816 CA LYS A 114 -15.625 5.553 15.955 1.00 0.00 C ATOM 1817 C LYS A 114 -16.405 5.496 14.643 1.00 0.00 C ATOM 1818 O LYS A 114 -17.259 4.628 14.461 1.00 0.00 O ATOM 1819 CB LYS A 114 -15.627 6.981 16.514 1.00 0.00 C ATOM 1820 CG LYS A 114 -17.019 7.542 16.758 1.00 0.00 C ATOM 1821 CD LYS A 114 -16.958 8.891 17.456 1.00 0.00 C ATOM 1822 CE LYS A 114 -18.336 9.523 17.572 1.00 0.00 C ATOM 1823 NZ LYS A 114 -18.922 9.826 16.236 1.00 0.00 N ATOM 0 H LYS A 114 -14.066 4.180 16.240 1.00 0.00 H new ATOM 0 HA LYS A 114 -16.118 4.898 16.674 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -15.070 6.995 17.451 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -15.099 7.634 15.819 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -17.543 7.645 15.808 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -17.594 6.842 17.365 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.528 8.768 18.450 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.296 9.558 16.903 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -18.999 8.850 18.115 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -18.266 10.441 18.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -19.706 10.500 16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -18.192 10.241 15.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -19.278 8.948 15.806 1.00 0.00 H new ATOM 1837 N ASN A 115 -16.110 6.421 13.736 1.00 0.00 N ATOM 1838 CA ASN A 115 -16.783 6.466 12.441 1.00 0.00 C ATOM 1839 C ASN A 115 -16.585 5.157 11.683 1.00 0.00 C ATOM 1840 O ASN A 115 -15.476 4.838 11.256 1.00 0.00 O ATOM 1841 CB ASN A 115 -16.257 7.633 11.606 1.00 0.00 C ATOM 1842 CG ASN A 115 -16.597 8.980 12.214 1.00 0.00 C ATOM 1843 OD1 ASN A 115 -15.837 9.523 13.016 1.00 0.00 O ATOM 1844 ND2 ASN A 115 -17.746 9.528 11.834 1.00 0.00 N ATOM 0 H ASN A 115 -15.410 7.150 13.873 1.00 0.00 H new ATOM 0 HA ASN A 115 -17.849 6.609 12.619 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -15.175 7.546 11.506 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -16.676 7.575 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -18.028 10.433 12.210 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -18.346 9.043 11.167 1.00 0.00 H new ATOM 1851 N SER A 116 -17.668 4.402 11.523 1.00 0.00 N ATOM 1852 CA SER A 116 -17.613 3.128 10.817 1.00 0.00 C ATOM 1853 C SER A 116 -17.374 3.343 9.324 1.00 0.00 C ATOM 1854 O SER A 116 -18.316 3.375 8.532 1.00 0.00 O ATOM 1855 CB SER A 116 -18.910 2.344 11.031 1.00 0.00 C ATOM 1856 OG SER A 116 -18.868 1.096 10.363 1.00 0.00 O ATOM 0 H SER A 116 -18.593 4.651 11.873 1.00 0.00 H new ATOM 0 HA SER A 116 -16.780 2.553 11.221 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.070 2.184 12.097 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.755 2.927 10.666 1.00 0.00 H new ATOM 0 HG SER A 116 -19.707 0.614 10.517 1.00 0.00 H new ATOM 1862 N SER A 117 -16.107 3.491 8.951 1.00 0.00 N ATOM 1863 CA SER A 117 -15.738 3.704 7.557 1.00 0.00 C ATOM 1864 C SER A 117 -14.713 2.669 7.104 1.00 0.00 C ATOM 1865 O SER A 117 -13.883 2.215 7.893 1.00 0.00 O ATOM 1866 CB SER A 117 -15.177 5.114 7.367 1.00 0.00 C ATOM 1867 OG SER A 117 -14.821 5.343 6.014 1.00 0.00 O ATOM 0 H SER A 117 -15.317 3.467 9.596 1.00 0.00 H new ATOM 0 HA SER A 117 -16.634 3.593 6.947 1.00 0.00 H new ATOM 0 HB2 SER A 117 -15.918 5.849 7.681 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.303 5.250 8.004 1.00 0.00 H new ATOM 0 HG SER A 117 -14.467 6.252 5.918 1.00 0.00 H new ATOM 1873 N GLN A 118 -14.776 2.301 5.829 1.00 0.00 N ATOM 1874 CA GLN A 118 -13.855 1.320 5.267 1.00 0.00 C ATOM 1875 C GLN A 118 -13.802 1.435 3.748 1.00 0.00 C ATOM 1876 O GLN A 118 -14.797 1.776 3.107 1.00 0.00 O ATOM 1877 CB GLN A 118 -14.270 -0.097 5.678 1.00 0.00 C ATOM 1878 CG GLN A 118 -15.760 -0.370 5.532 1.00 0.00 C ATOM 1879 CD GLN A 118 -16.198 -0.509 4.088 1.00 0.00 C ATOM 1880 OE1 GLN A 118 -15.433 -0.955 3.233 1.00 0.00 O ATOM 1881 NE2 GLN A 118 -17.438 -0.124 3.809 1.00 0.00 N ATOM 0 H GLN A 118 -15.457 2.668 5.164 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.859 1.522 5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -13.718 -0.816 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -13.980 -0.263 6.715 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.011 -1.283 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -16.320 0.440 5.999 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -18.038 0.240 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -17.791 -0.192 2.854 1.00 0.00 H new ATOM 1890 N GLU A 119 -12.633 1.154 3.177 1.00 0.00 N ATOM 1891 CA GLU A 119 -12.449 1.228 1.732 1.00 0.00 C ATOM 1892 C GLU A 119 -12.881 2.594 1.202 1.00 0.00 C ATOM 1893 O GLU A 119 -12.138 3.572 1.425 1.00 0.00 O ATOM 1894 CB GLU A 119 -13.243 0.118 1.038 1.00 0.00 C ATOM 1895 CG GLU A 119 -12.966 0.008 -0.453 1.00 0.00 C ATOM 1896 CD GLU A 119 -13.778 -1.085 -1.119 1.00 0.00 C ATOM 1897 OE1 GLU A 119 -13.295 -2.234 -1.176 1.00 0.00 O ATOM 1898 OE2 GLU A 119 -14.900 -0.790 -1.584 1.00 0.00 O ATOM 1899 OXT GLU A 119 -13.958 2.674 0.574 1.00 0.00 O ATOM 0 H GLU A 119 -11.800 0.873 3.694 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.390 1.093 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.009 -0.835 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.308 0.297 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -13.187 0.962 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.905 -0.187 -0.608 1.00 0.00 H new TER 1906 GLU A 119