USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 841 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 25 MET CE :methyl -166:sc= -2.18 (180deg=-3.3!) USER MOD Set 1.2: A 28 GLN : amide:sc= -4.08! C(o=-11!,f=-14!) USER MOD Set 1.3: A 73 GLN : amide:sc= -0.414 K(o=-11,f=-14) USER MOD Set 1.4: A 83 GLN :FLIP amide:sc= -0.227 F(o=-14,f=-11) USER MOD Set 1.5: A 84 MET CE :methyl 139:sc= -0.189 (180deg=-0.839) USER MOD Set 1.6: A 87 MET CE :methyl 145:sc= -4.32 (180deg=-5.5!) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -5.06! C(o=-15!,f=-5.1!) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 23 MET CE :methyl 146:sc= -0.159 (180deg=-0.86) USER MOD Set 3.2: A 27 GLN : amide:sc= -7.14! C(o=-10!,f=-13!) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -2.84 K(o=-10,f=-14!) USER MOD Set 4.1: A 11 GLN : amide:sc= -4.65! C(o=-5.9!,f=-7!) USER MOD Set 4.2: A 15 GLN : amide:sc= -1.29 K(o=-5.9,f=-13!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 12 MET CE :methyl -142:sc= -3.42 (180deg=-5.94!) USER MOD Single : A 13 GLN : amide:sc= -3.31 X(o=-3.3,f=-3.5) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.95!) USER MOD Single : A 17 MET CE :methyl -123:sc= -1.9 (180deg=-3.73!) USER MOD Single : A 19 SER OG : rot 86:sc= 0.0292 USER MOD Single : A 20 HIS : no HD1:sc= -2.45 K(o=-2.4,f=-3.7!) USER MOD Single : A 24 TYR OH : rot -105:sc= 0.401 USER MOD Single : A 29 MET CE :methyl -163:sc= -2.63 (180deg=-3.47!) USER MOD Single : A 32 SER OG : rot -97:sc= 0.535 USER MOD Single : A 33 THR OG1 : rot 123:sc= 1.31 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -176:sc= -0.515 (180deg=-0.534) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -115:sc= -1.7 (180deg=-6.98!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.5!) USER MOD Single : A 56 MET CE :methyl -154:sc= -0.785 (180deg=-0.91) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -135:sc= -0.358 (180deg=-2.99!) USER MOD Single : A 68 MET CE :methyl 132:sc= -2.52! (180deg=-3.76!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -142:sc= -0.276 (180deg=-1.2) USER MOD Single : A 72 MET CE :methyl -128:sc= -2.02 (180deg=-6.2!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.75 F(o=-4.3!,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= -1.18 (180deg=-3.54!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.9!) USER MOD Single : A 88 MET CE :methyl 163:sc= -0.896 (180deg=-2.12!) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.175 F(o=-2!,f=-0.17) USER MOD Single : A 96 SER OG : rot 74:sc= 1.31 USER MOD Single : A 99 ASN : amide:sc= -3.51! C(o=-3.5!,f=-5.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -154:sc= -0.172 (180deg=-1.2) USER MOD Single : A 107 MET CE :methyl -156:sc= -3.7 (180deg=-5.86) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -0.740 43.523 -9.153 1.00 0.00 N ATOM 19 CA ALA A 2 -1.224 44.153 -10.378 1.00 0.00 C ATOM 20 C ALA A 2 -2.625 44.721 -10.173 1.00 0.00 C ATOM 21 O ALA A 2 -3.418 44.178 -9.405 1.00 0.00 O ATOM 22 CB ALA A 2 -1.248 43.133 -11.518 1.00 0.00 C ATOM 0 HA ALA A 2 -0.547 44.968 -10.634 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.610 43.612 -12.427 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.241 42.751 -11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.910 42.308 -11.254 1.00 0.00 H new ATOM 28 N GLU A 3 -2.920 45.817 -10.865 1.00 0.00 N ATOM 29 CA GLU A 3 -4.229 46.455 -10.757 1.00 0.00 C ATOM 30 C GLU A 3 -5.332 45.514 -11.240 1.00 0.00 C ATOM 31 O GLU A 3 -6.490 45.645 -10.841 1.00 0.00 O ATOM 32 CB GLU A 3 -4.254 47.753 -11.579 1.00 0.00 C ATOM 33 CG GLU A 3 -4.264 47.436 -13.082 1.00 0.00 C ATOM 34 CD GLU A 3 -3.006 46.661 -13.474 1.00 0.00 C ATOM 35 OE1 GLU A 3 -1.921 47.166 -13.236 1.00 0.00 O ATOM 36 OE2 GLU A 3 -3.147 45.571 -14.006 1.00 0.00 O ATOM 0 H GLU A 3 -2.274 46.281 -11.504 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.409 46.691 -9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.136 48.339 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.383 48.362 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.150 46.852 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.321 48.362 -13.655 1.00 0.00 H new ATOM 43 N ALA A 4 -4.962 44.570 -12.103 1.00 0.00 N ATOM 44 CA ALA A 4 -5.924 43.611 -12.641 1.00 0.00 C ATOM 45 C ALA A 4 -6.338 42.601 -11.582 1.00 0.00 C ATOM 46 O ALA A 4 -7.190 41.745 -11.825 1.00 0.00 O ATOM 47 CB ALA A 4 -5.327 42.886 -13.849 1.00 0.00 C ATOM 0 H ALA A 4 -4.008 44.449 -12.443 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.811 44.161 -12.955 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.053 42.174 -14.241 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.077 43.612 -14.622 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.425 42.354 -13.545 1.00 0.00 H new ATOM 53 N GLN A 5 -5.739 42.716 -10.406 1.00 0.00 N ATOM 54 CA GLN A 5 -6.053 41.824 -9.300 1.00 0.00 C ATOM 55 C GLN A 5 -7.562 41.765 -9.075 1.00 0.00 C ATOM 56 O GLN A 5 -8.112 40.712 -8.753 1.00 0.00 O ATOM 57 CB GLN A 5 -5.374 42.345 -8.038 1.00 0.00 C ATOM 58 CG GLN A 5 -5.661 41.405 -6.862 1.00 0.00 C ATOM 59 CD GLN A 5 -5.164 42.023 -5.559 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.552 43.139 -5.212 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.326 41.360 -4.811 1.00 0.00 N ATOM 0 H GLN A 5 -5.032 43.419 -10.193 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.695 40.822 -9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.299 42.422 -8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.734 43.348 -7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.731 41.211 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.172 40.445 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.006 40.436 -5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.991 41.766 -3.937 1.00 0.00 H new ATOM 70 N GLU A 6 -8.221 42.910 -9.242 1.00 0.00 N ATOM 71 CA GLU A 6 -9.665 42.993 -9.052 1.00 0.00 C ATOM 72 C GLU A 6 -10.393 41.943 -9.891 1.00 0.00 C ATOM 73 O GLU A 6 -11.309 41.281 -9.404 1.00 0.00 O ATOM 74 CB GLU A 6 -10.155 44.397 -9.426 1.00 0.00 C ATOM 75 CG GLU A 6 -9.909 44.657 -10.917 1.00 0.00 C ATOM 76 CD GLU A 6 -10.169 46.126 -11.240 1.00 0.00 C ATOM 77 OE1 GLU A 6 -11.328 46.504 -11.296 1.00 0.00 O ATOM 78 OE2 GLU A 6 -9.205 46.850 -11.427 1.00 0.00 O ATOM 0 H GLU A 6 -7.778 43.790 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.886 42.798 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.217 44.492 -9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.635 45.145 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.883 44.395 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.561 44.023 -11.518 1.00 0.00 H new ATOM 85 N GLU A 7 -9.971 41.782 -11.146 1.00 0.00 N ATOM 86 CA GLU A 7 -10.583 40.794 -12.026 1.00 0.00 C ATOM 87 C GLU A 7 -10.493 39.419 -11.390 1.00 0.00 C ATOM 88 O GLU A 7 -11.433 38.626 -11.451 1.00 0.00 O ATOM 89 CB GLU A 7 -9.873 40.778 -13.386 1.00 0.00 C ATOM 90 CG GLU A 7 -10.392 39.604 -14.229 1.00 0.00 C ATOM 91 CD GLU A 7 -9.498 38.381 -14.036 1.00 0.00 C ATOM 92 OE1 GLU A 7 -8.328 38.466 -14.372 1.00 0.00 O ATOM 93 OE2 GLU A 7 -9.997 37.375 -13.559 1.00 0.00 O ATOM 0 H GLU A 7 -9.215 42.319 -11.570 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.629 41.059 -12.177 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.047 41.718 -13.909 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.796 40.687 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.416 39.364 -13.941 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.414 39.885 -15.282 1.00 0.00 H new ATOM 100 N CYS A 8 -9.340 39.146 -10.788 1.00 0.00 N ATOM 101 CA CYS A 8 -9.114 37.865 -10.152 1.00 0.00 C ATOM 102 C CYS A 8 -9.984 37.716 -8.911 1.00 0.00 C ATOM 103 O CYS A 8 -10.771 36.776 -8.809 1.00 0.00 O ATOM 104 CB CYS A 8 -7.639 37.726 -9.763 1.00 0.00 C ATOM 105 SG CYS A 8 -6.602 37.965 -11.226 1.00 0.00 S ATOM 0 H CYS A 8 -8.555 39.795 -10.730 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.379 37.081 -10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.383 38.460 -8.999 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.457 36.741 -9.332 1.00 0.00 H new ATOM 110 N ARG A 9 -9.835 38.650 -7.975 1.00 0.00 N ATOM 111 CA ARG A 9 -10.608 38.617 -6.737 1.00 0.00 C ATOM 112 C ARG A 9 -12.103 38.540 -7.029 1.00 0.00 C ATOM 113 O ARG A 9 -12.826 37.772 -6.397 1.00 0.00 O ATOM 114 CB ARG A 9 -10.307 39.866 -5.905 1.00 0.00 C ATOM 115 CG ARG A 9 -11.013 39.766 -4.548 1.00 0.00 C ATOM 116 CD ARG A 9 -10.650 40.980 -3.691 1.00 0.00 C ATOM 117 NE ARG A 9 -11.240 42.191 -4.256 1.00 0.00 N ATOM 118 CZ ARG A 9 -10.907 43.400 -3.806 1.00 0.00 C ATOM 119 NH1 ARG A 9 -10.041 43.525 -2.837 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.450 44.462 -4.333 1.00 0.00 N ATOM 0 H ARG A 9 -9.189 39.436 -8.050 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.321 37.727 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.232 39.967 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.642 40.757 -6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.093 39.719 -4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.718 38.848 -4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.007 40.834 -2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.566 41.086 -3.637 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.921 42.109 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.617 42.695 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.789 44.452 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.129 44.366 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.196 45.388 -3.990 1.00 0.00 H new ATOM 134 N GLU A 10 -12.561 39.338 -7.990 1.00 0.00 N ATOM 135 CA GLU A 10 -13.974 39.344 -8.355 1.00 0.00 C ATOM 136 C GLU A 10 -14.411 37.960 -8.825 1.00 0.00 C ATOM 137 O GLU A 10 -15.436 37.436 -8.385 1.00 0.00 O ATOM 138 CB GLU A 10 -14.217 40.366 -9.470 1.00 0.00 C ATOM 139 CG GLU A 10 -15.694 40.341 -9.884 1.00 0.00 C ATOM 140 CD GLU A 10 -15.905 39.345 -11.024 1.00 0.00 C ATOM 141 OE1 GLU A 10 -15.255 39.493 -12.046 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.714 38.446 -10.857 1.00 0.00 O ATOM 0 H GLU A 10 -11.980 39.983 -8.526 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.559 39.617 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.943 41.364 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.585 40.139 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.314 40.065 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.008 41.336 -10.198 1.00 0.00 H new ATOM 149 N GLN A 11 -13.624 37.381 -9.728 1.00 0.00 N ATOM 150 CA GLN A 11 -13.924 36.061 -10.272 1.00 0.00 C ATOM 151 C GLN A 11 -13.983 35.001 -9.171 1.00 0.00 C ATOM 152 O GLN A 11 -14.758 34.049 -9.263 1.00 0.00 O ATOM 153 CB GLN A 11 -12.867 35.677 -11.314 1.00 0.00 C ATOM 154 CG GLN A 11 -13.333 34.437 -12.085 1.00 0.00 C ATOM 155 CD GLN A 11 -12.336 34.092 -13.191 1.00 0.00 C ATOM 156 OE1 GLN A 11 -11.402 34.852 -13.453 1.00 0.00 O ATOM 157 NE2 GLN A 11 -12.481 32.981 -13.860 1.00 0.00 N ATOM 0 H GLN A 11 -12.774 37.806 -10.098 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.905 36.105 -10.745 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.703 36.506 -12.003 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.914 35.476 -10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.435 33.593 -11.402 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.317 34.618 -12.517 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.254 32.352 -13.643 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.821 32.741 -14.600 1.00 0.00 H new ATOM 166 N MET A 12 -13.152 35.159 -8.139 1.00 0.00 N ATOM 167 CA MET A 12 -13.116 34.191 -7.040 1.00 0.00 C ATOM 168 C MET A 12 -14.513 33.928 -6.483 1.00 0.00 C ATOM 169 O MET A 12 -14.854 32.784 -6.184 1.00 0.00 O ATOM 170 CB MET A 12 -12.202 34.691 -5.919 1.00 0.00 C ATOM 171 CG MET A 12 -10.754 34.689 -6.409 1.00 0.00 C ATOM 172 SD MET A 12 -9.661 35.250 -5.084 1.00 0.00 S ATOM 173 CE MET A 12 -8.213 35.575 -6.118 1.00 0.00 C ATOM 0 H MET A 12 -12.502 35.939 -8.041 1.00 0.00 H new ATOM 0 HA MET A 12 -12.723 33.256 -7.438 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.494 35.697 -5.617 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.302 34.053 -5.041 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.469 33.686 -6.728 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.653 35.340 -7.277 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.310 35.281 -5.582 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.290 35.002 -7.042 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.165 36.638 -6.354 1.00 0.00 H new ATOM 183 N GLN A 13 -15.323 34.979 -6.352 1.00 0.00 N ATOM 184 CA GLN A 13 -16.680 34.806 -5.839 1.00 0.00 C ATOM 185 C GLN A 13 -17.440 33.831 -6.725 1.00 0.00 C ATOM 186 O GLN A 13 -18.110 32.925 -6.234 1.00 0.00 O ATOM 187 CB GLN A 13 -17.422 36.146 -5.800 1.00 0.00 C ATOM 188 CG GLN A 13 -16.909 36.996 -4.633 1.00 0.00 C ATOM 189 CD GLN A 13 -15.477 37.452 -4.893 1.00 0.00 C ATOM 190 OE1 GLN A 13 -14.527 36.778 -4.495 1.00 0.00 O ATOM 191 NE2 GLN A 13 -15.265 38.566 -5.538 1.00 0.00 N ATOM 0 H GLN A 13 -15.070 35.938 -6.588 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.618 34.413 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.277 36.679 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.493 35.975 -5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.554 37.864 -4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.951 36.419 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.054 39.123 -5.867 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.311 38.880 -5.713 1.00 0.00 H new ATOM 200 N ARG A 14 -17.294 34.006 -8.036 1.00 0.00 N ATOM 201 CA ARG A 14 -17.925 33.126 -8.997 1.00 0.00 C ATOM 202 C ARG A 14 -17.430 31.720 -8.741 1.00 0.00 C ATOM 203 O ARG A 14 -18.200 30.759 -8.748 1.00 0.00 O ATOM 204 CB ARG A 14 -17.574 33.559 -10.425 1.00 0.00 C ATOM 205 CG ARG A 14 -18.446 32.801 -11.432 1.00 0.00 C ATOM 206 CD ARG A 14 -19.827 33.455 -11.512 1.00 0.00 C ATOM 207 NE ARG A 14 -19.718 34.797 -12.079 1.00 0.00 N ATOM 208 CZ ARG A 14 -20.650 35.723 -11.859 1.00 0.00 C ATOM 209 NH1 ARG A 14 -21.695 35.445 -11.127 1.00 0.00 N ATOM 210 NH2 ARG A 14 -20.518 36.914 -12.377 1.00 0.00 N ATOM 0 H ARG A 14 -16.740 34.755 -8.452 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.009 33.169 -8.889 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.726 34.633 -10.536 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.520 33.364 -10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.973 32.806 -12.414 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.544 31.758 -11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.491 32.846 -12.126 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.271 33.507 -10.518 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.910 35.030 -12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -21.800 34.515 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -22.406 36.158 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -19.703 37.134 -12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.230 37.625 -12.210 1.00 0.00 H new ATOM 224 N GLN A 15 -16.124 31.622 -8.491 1.00 0.00 N ATOM 225 CA GLN A 15 -15.519 30.346 -8.204 1.00 0.00 C ATOM 226 C GLN A 15 -15.871 29.940 -6.782 1.00 0.00 C ATOM 227 O GLN A 15 -15.049 30.024 -5.868 1.00 0.00 O ATOM 228 CB GLN A 15 -13.996 30.433 -8.373 1.00 0.00 C ATOM 229 CG GLN A 15 -13.591 29.841 -9.727 1.00 0.00 C ATOM 230 CD GLN A 15 -13.713 30.899 -10.819 1.00 0.00 C ATOM 231 OE1 GLN A 15 -12.706 31.425 -11.290 1.00 0.00 O ATOM 232 NE2 GLN A 15 -14.896 31.248 -11.248 1.00 0.00 N ATOM 0 H GLN A 15 -15.479 32.412 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.897 29.597 -8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.672 31.472 -8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.500 29.893 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.566 29.472 -9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.226 28.987 -9.964 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.730 30.811 -10.856 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.986 31.958 -11.975 1.00 0.00 H new ATOM 241 N GLN A 16 -17.102 29.494 -6.617 1.00 0.00 N ATOM 242 CA GLN A 16 -17.591 29.058 -5.315 1.00 0.00 C ATOM 243 C GLN A 16 -17.141 27.626 -5.054 1.00 0.00 C ATOM 244 O GLN A 16 -17.911 26.792 -4.569 1.00 0.00 O ATOM 245 CB GLN A 16 -19.116 29.160 -5.277 1.00 0.00 C ATOM 246 CG GLN A 16 -19.518 30.619 -5.499 1.00 0.00 C ATOM 247 CD GLN A 16 -21.035 30.780 -5.472 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.771 29.792 -5.456 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.545 31.981 -5.469 1.00 0.00 N ATOM 0 H GLN A 16 -17.787 29.423 -7.369 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.181 29.700 -4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.556 28.526 -6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.494 28.806 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.069 31.245 -4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.129 30.965 -6.457 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.931 32.796 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.557 32.105 -5.453 1.00 0.00 H new ATOM 258 N MET A 17 -15.886 27.351 -5.402 1.00 0.00 N ATOM 259 CA MET A 17 -15.320 26.018 -5.231 1.00 0.00 C ATOM 260 C MET A 17 -15.238 25.627 -3.764 1.00 0.00 C ATOM 261 O MET A 17 -15.237 24.445 -3.436 1.00 0.00 O ATOM 262 CB MET A 17 -13.925 25.952 -5.867 1.00 0.00 C ATOM 263 CG MET A 17 -12.844 26.251 -4.827 1.00 0.00 C ATOM 264 SD MET A 17 -11.335 26.765 -5.675 1.00 0.00 S ATOM 265 CE MET A 17 -11.965 28.340 -6.303 1.00 0.00 C ATOM 0 H MET A 17 -15.243 28.034 -5.804 1.00 0.00 H new ATOM 0 HA MET A 17 -15.982 25.311 -5.730 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.761 24.963 -6.296 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.858 26.669 -6.685 1.00 0.00 H new ATOM 0 HG2 MET A 17 -13.181 27.036 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.651 25.367 -4.220 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.866 28.365 -7.388 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.015 28.446 -6.032 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.393 29.160 -5.868 1.00 0.00 H new ATOM 275 N LEU A 18 -15.156 26.628 -2.896 1.00 0.00 N ATOM 276 CA LEU A 18 -15.045 26.393 -1.459 1.00 0.00 C ATOM 277 C LEU A 18 -16.231 25.591 -0.941 1.00 0.00 C ATOM 278 O LEU A 18 -16.124 24.928 0.082 1.00 0.00 O ATOM 279 CB LEU A 18 -14.957 27.715 -0.713 1.00 0.00 C ATOM 280 CG LEU A 18 -13.770 28.527 -1.240 1.00 0.00 C ATOM 281 CD1 LEU A 18 -14.143 29.176 -2.577 1.00 0.00 C ATOM 282 CD2 LEU A 18 -13.403 29.615 -0.226 1.00 0.00 C ATOM 0 H LEU A 18 -15.164 27.613 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.135 25.818 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.881 28.278 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.840 27.534 0.355 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.916 27.865 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.297 29.753 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.400 28.401 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.998 29.837 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.558 30.192 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.257 30.276 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.133 29.152 0.723 1.00 0.00 H new ATOM 294 N SER A 19 -17.360 25.641 -1.644 1.00 0.00 N ATOM 295 CA SER A 19 -18.527 24.877 -1.216 1.00 0.00 C ATOM 296 C SER A 19 -18.218 23.385 -1.330 1.00 0.00 C ATOM 297 O SER A 19 -18.332 22.627 -0.359 1.00 0.00 O ATOM 298 CB SER A 19 -19.735 25.225 -2.089 1.00 0.00 C ATOM 299 OG SER A 19 -19.920 26.635 -2.092 1.00 0.00 O ATOM 0 H SER A 19 -17.490 26.190 -2.494 1.00 0.00 H new ATOM 0 HA SER A 19 -18.762 25.126 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.580 24.865 -3.106 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.628 24.730 -1.708 1.00 0.00 H new ATOM 0 HG SER A 19 -19.359 27.037 -2.788 1.00 0.00 H new ATOM 305 N HIS A 20 -17.785 22.985 -2.524 1.00 0.00 N ATOM 306 CA HIS A 20 -17.418 21.597 -2.782 1.00 0.00 C ATOM 307 C HIS A 20 -16.107 21.298 -2.074 1.00 0.00 C ATOM 308 O HIS A 20 -15.893 20.203 -1.555 1.00 0.00 O ATOM 309 CB HIS A 20 -17.259 21.360 -4.291 1.00 0.00 C ATOM 310 CG HIS A 20 -17.994 22.430 -5.053 1.00 0.00 C ATOM 311 ND1 HIS A 20 -17.341 23.319 -5.891 1.00 0.00 N ATOM 312 CD2 HIS A 20 -19.320 22.781 -5.095 1.00 0.00 C ATOM 313 CE1 HIS A 20 -18.266 24.154 -6.397 1.00 0.00 C ATOM 314 NE2 HIS A 20 -19.489 23.871 -5.943 1.00 0.00 N ATOM 0 H HIS A 20 -17.680 23.604 -3.328 1.00 0.00 H new ATOM 0 HA HIS A 20 -18.202 20.938 -2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -16.203 21.368 -4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -17.649 20.378 -4.558 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -20.112 22.286 -4.552 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -18.046 24.956 -7.086 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -20.360 24.351 -6.169 1.00 0.00 H new ATOM 322 N CYS A 21 -15.240 22.304 -2.052 1.00 0.00 N ATOM 323 CA CYS A 21 -13.950 22.192 -1.400 1.00 0.00 C ATOM 324 C CYS A 21 -14.152 21.913 0.089 1.00 0.00 C ATOM 325 O CYS A 21 -13.539 21.004 0.651 1.00 0.00 O ATOM 326 CB CYS A 21 -13.169 23.494 -1.626 1.00 0.00 C ATOM 327 SG CYS A 21 -11.973 23.234 -2.961 1.00 0.00 S ATOM 0 H CYS A 21 -15.414 23.212 -2.483 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.378 21.365 -1.820 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.852 24.304 -1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.655 23.789 -0.711 1.00 0.00 H new ATOM 332 N ARG A 22 -15.052 22.670 0.710 1.00 0.00 N ATOM 333 CA ARG A 22 -15.368 22.461 2.116 1.00 0.00 C ATOM 334 C ARG A 22 -15.865 21.035 2.287 1.00 0.00 C ATOM 335 O ARG A 22 -15.435 20.308 3.190 1.00 0.00 O ATOM 336 CB ARG A 22 -16.444 23.452 2.569 1.00 0.00 C ATOM 337 CG ARG A 22 -16.616 23.379 4.089 1.00 0.00 C ATOM 338 CD ARG A 22 -17.772 24.289 4.516 1.00 0.00 C ATOM 339 NE ARG A 22 -17.570 25.640 3.995 1.00 0.00 N ATOM 340 CZ ARG A 22 -18.192 26.064 2.892 1.00 0.00 C ATOM 341 NH1 ARG A 22 -19.021 25.278 2.257 1.00 0.00 N ATOM 342 NH2 ARG A 22 -17.971 27.269 2.443 1.00 0.00 N ATOM 0 H ARG A 22 -15.571 23.427 0.265 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.479 22.623 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.166 24.464 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.390 23.225 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -16.816 22.352 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.695 23.686 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.716 23.887 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.840 24.317 5.604 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.939 26.274 4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.196 24.335 2.603 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.493 25.608 1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.324 27.886 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.445 27.594 1.601 1.00 0.00 H new ATOM 356 N MET A 23 -16.756 20.629 1.376 1.00 0.00 N ATOM 357 CA MET A 23 -17.280 19.274 1.401 1.00 0.00 C ATOM 358 C MET A 23 -16.115 18.294 1.332 1.00 0.00 C ATOM 359 O MET A 23 -16.115 17.266 2.006 1.00 0.00 O ATOM 360 CB MET A 23 -18.230 19.049 0.218 1.00 0.00 C ATOM 361 CG MET A 23 -18.918 17.689 0.357 1.00 0.00 C ATOM 362 SD MET A 23 -19.943 17.379 -1.103 1.00 0.00 S ATOM 363 CE MET A 23 -18.596 17.054 -2.269 1.00 0.00 C ATOM 0 H MET A 23 -17.121 21.215 0.625 1.00 0.00 H new ATOM 0 HA MET A 23 -17.839 19.116 2.323 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.976 19.843 0.183 1.00 0.00 H new ATOM 0 HB3 MET A 23 -17.675 19.092 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 23 -18.172 16.901 0.465 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.533 17.671 1.257 1.00 0.00 H new ATOM 0 HE1 MET A 23 -18.914 16.303 -2.992 1.00 0.00 H new ATOM 0 HE2 MET A 23 -18.338 17.975 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 23 -17.725 16.689 -1.726 1.00 0.00 H new ATOM 373 N TYR A 24 -15.113 18.643 0.521 1.00 0.00 N ATOM 374 CA TYR A 24 -13.922 17.813 0.378 1.00 0.00 C ATOM 375 C TYR A 24 -13.246 17.642 1.736 1.00 0.00 C ATOM 376 O TYR A 24 -12.840 16.542 2.100 1.00 0.00 O ATOM 377 CB TYR A 24 -12.964 18.444 -0.654 1.00 0.00 C ATOM 378 CG TYR A 24 -11.551 18.561 -0.110 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.854 17.419 0.301 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.937 19.818 -0.036 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.547 17.535 0.791 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.630 19.932 0.451 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.936 18.792 0.864 1.00 0.00 C ATOM 384 OH TYR A 24 -7.646 18.906 1.340 1.00 0.00 O ATOM 0 H TYR A 24 -15.106 19.493 -0.043 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.204 16.825 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.956 17.839 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.329 19.432 -0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.324 16.448 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.473 20.700 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.011 16.654 1.112 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.158 20.902 0.508 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.664 19.272 2.249 1.00 0.00 H new ATOM 394 N MET A 25 -13.140 18.734 2.492 1.00 0.00 N ATOM 395 CA MET A 25 -12.526 18.662 3.815 1.00 0.00 C ATOM 396 C MET A 25 -13.271 17.628 4.654 1.00 0.00 C ATOM 397 O MET A 25 -12.673 16.710 5.235 1.00 0.00 O ATOM 398 CB MET A 25 -12.606 20.024 4.506 1.00 0.00 C ATOM 399 CG MET A 25 -11.904 21.087 3.651 1.00 0.00 C ATOM 400 SD MET A 25 -10.132 20.732 3.564 1.00 0.00 S ATOM 401 CE MET A 25 -9.724 21.180 5.269 1.00 0.00 C ATOM 0 H MET A 25 -13.464 19.661 2.218 1.00 0.00 H new ATOM 0 HA MET A 25 -11.479 18.376 3.711 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.649 20.301 4.662 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.140 19.970 5.490 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.331 21.100 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.065 22.076 4.079 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.643 21.275 5.371 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.197 22.130 5.519 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.086 20.405 5.945 1.00 0.00 H new ATOM 411 N ARG A 26 -14.596 17.762 4.682 1.00 0.00 N ATOM 412 CA ARG A 26 -15.423 16.817 5.415 1.00 0.00 C ATOM 413 C ARG A 26 -15.189 15.424 4.845 1.00 0.00 C ATOM 414 O ARG A 26 -15.080 14.437 5.580 1.00 0.00 O ATOM 415 CB ARG A 26 -16.902 17.205 5.293 1.00 0.00 C ATOM 416 CG ARG A 26 -17.759 16.273 6.157 1.00 0.00 C ATOM 417 CD ARG A 26 -17.525 16.574 7.640 1.00 0.00 C ATOM 418 NE ARG A 26 -18.257 15.618 8.468 1.00 0.00 N ATOM 419 CZ ARG A 26 -17.754 15.160 9.615 1.00 0.00 C ATOM 420 NH1 ARG A 26 -16.586 15.566 10.034 1.00 0.00 N ATOM 421 NH2 ARG A 26 -18.435 14.301 10.322 1.00 0.00 N ATOM 0 H ARG A 26 -15.110 18.506 4.211 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.156 16.830 6.472 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.043 18.239 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.218 17.143 4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -18.813 16.404 5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.509 15.234 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.460 16.522 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.850 17.589 7.869 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.174 15.293 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.052 16.238 9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.208 15.211 10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.348 13.983 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.055 13.948 11.200 1.00 0.00 H new ATOM 435 N GLN A 27 -15.072 15.364 3.523 1.00 0.00 N ATOM 436 CA GLN A 27 -14.807 14.111 2.853 1.00 0.00 C ATOM 437 C GLN A 27 -13.500 13.540 3.373 1.00 0.00 C ATOM 438 O GLN A 27 -13.366 12.342 3.571 1.00 0.00 O ATOM 439 CB GLN A 27 -14.744 14.311 1.331 1.00 0.00 C ATOM 440 CG GLN A 27 -14.347 12.997 0.643 1.00 0.00 C ATOM 441 CD GLN A 27 -15.240 11.857 1.119 1.00 0.00 C ATOM 442 OE1 GLN A 27 -16.082 11.365 0.368 1.00 0.00 O ATOM 443 NE2 GLN A 27 -15.107 11.416 2.339 1.00 0.00 N ATOM 0 H GLN A 27 -15.157 16.169 2.902 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.617 13.411 3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.712 14.647 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.022 15.090 1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.431 13.106 -0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.304 12.766 0.861 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.407 11.828 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.702 10.659 2.676 1.00 0.00 H new ATOM 452 N GLN A 28 -12.535 14.402 3.629 1.00 0.00 N ATOM 453 CA GLN A 28 -11.280 13.926 4.142 1.00 0.00 C ATOM 454 C GLN A 28 -11.522 13.209 5.459 1.00 0.00 C ATOM 455 O GLN A 28 -10.915 12.173 5.735 1.00 0.00 O ATOM 456 CB GLN A 28 -10.351 15.095 4.363 1.00 0.00 C ATOM 457 CG GLN A 28 -8.949 14.596 4.730 1.00 0.00 C ATOM 458 CD GLN A 28 -8.882 14.244 6.214 1.00 0.00 C ATOM 459 OE1 GLN A 28 -9.238 15.060 7.065 1.00 0.00 O ATOM 460 NE2 GLN A 28 -8.444 13.069 6.576 1.00 0.00 N ATOM 0 H GLN A 28 -12.598 15.411 3.492 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.827 13.238 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.303 15.706 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.738 15.731 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.699 13.721 4.130 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.210 15.363 4.498 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.150 12.395 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.396 12.825 7.565 1.00 0.00 H new ATOM 469 N MET A 29 -12.427 13.765 6.267 1.00 0.00 N ATOM 470 CA MET A 29 -12.748 13.152 7.553 1.00 0.00 C ATOM 471 C MET A 29 -13.279 11.737 7.348 1.00 0.00 C ATOM 472 O MET A 29 -12.734 10.781 7.897 1.00 0.00 O ATOM 473 CB MET A 29 -13.792 13.987 8.302 1.00 0.00 C ATOM 474 CG MET A 29 -13.143 15.266 8.833 1.00 0.00 C ATOM 475 SD MET A 29 -11.770 14.824 9.926 1.00 0.00 S ATOM 476 CE MET A 29 -12.730 13.873 11.133 1.00 0.00 C ATOM 0 H MET A 29 -12.940 14.621 6.058 1.00 0.00 H new ATOM 0 HA MET A 29 -11.835 13.110 8.147 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.618 14.236 7.636 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.210 13.410 9.127 1.00 0.00 H new ATOM 0 HG2 MET A 29 -12.783 15.877 8.005 1.00 0.00 H new ATOM 0 HG3 MET A 29 -13.877 15.863 9.374 1.00 0.00 H new ATOM 0 HE1 MET A 29 -12.150 13.757 12.049 1.00 0.00 H new ATOM 0 HE2 MET A 29 -13.658 14.399 11.355 1.00 0.00 H new ATOM 0 HE3 MET A 29 -12.960 12.890 10.722 1.00 0.00 H new ATOM 486 N GLU A 30 -14.332 11.600 6.542 1.00 0.00 N ATOM 487 CA GLU A 30 -14.890 10.273 6.274 1.00 0.00 C ATOM 488 C GLU A 30 -13.891 9.421 5.492 1.00 0.00 C ATOM 489 O GLU A 30 -13.708 8.236 5.769 1.00 0.00 O ATOM 490 CB GLU A 30 -16.196 10.388 5.481 1.00 0.00 C ATOM 491 CG GLU A 30 -17.278 11.027 6.356 1.00 0.00 C ATOM 492 CD GLU A 30 -17.219 12.546 6.239 1.00 0.00 C ATOM 493 OE1 GLU A 30 -17.360 13.041 5.132 1.00 0.00 O ATOM 494 OE2 GLU A 30 -17.042 13.193 7.259 1.00 0.00 O ATOM 0 H GLU A 30 -14.807 12.371 6.073 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.096 9.794 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.037 10.989 4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.519 9.401 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.261 10.669 6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -17.139 10.729 7.395 1.00 0.00 H new ATOM 501 N GLU A 31 -13.257 10.051 4.505 1.00 0.00 N ATOM 502 CA GLU A 31 -12.275 9.383 3.653 1.00 0.00 C ATOM 503 C GLU A 31 -11.010 9.019 4.438 1.00 0.00 C ATOM 504 O GLU A 31 -10.104 8.393 3.896 1.00 0.00 O ATOM 505 CB GLU A 31 -11.915 10.292 2.472 1.00 0.00 C ATOM 506 CG GLU A 31 -11.244 9.472 1.362 1.00 0.00 C ATOM 507 CD GLU A 31 -10.778 10.384 0.224 1.00 0.00 C ATOM 508 OE1 GLU A 31 -10.919 11.592 0.350 1.00 0.00 O ATOM 509 OE2 GLU A 31 -10.284 9.858 -0.761 1.00 0.00 O ATOM 0 H GLU A 31 -13.408 11.033 4.274 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.717 8.458 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.814 10.774 2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.245 11.085 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.393 8.926 1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.944 8.730 0.977 1.00 0.00 H new ATOM 516 N SER A 32 -10.949 9.425 5.708 1.00 0.00 N ATOM 517 CA SER A 32 -9.781 9.146 6.550 1.00 0.00 C ATOM 518 C SER A 32 -9.312 7.705 6.369 1.00 0.00 C ATOM 519 O SER A 32 -8.154 7.383 6.634 1.00 0.00 O ATOM 520 CB SER A 32 -10.122 9.395 8.019 1.00 0.00 C ATOM 521 OG SER A 32 -11.160 8.509 8.419 1.00 0.00 O ATOM 0 H SER A 32 -11.691 9.946 6.176 1.00 0.00 H new ATOM 0 HA SER A 32 -8.975 9.815 6.246 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.239 9.242 8.640 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.436 10.429 8.161 1.00 0.00 H new ATOM 0 HG SER A 32 -12.023 8.970 8.362 1.00 0.00 H new ATOM 527 N THR A 33 -10.220 6.847 5.917 1.00 0.00 N ATOM 528 CA THR A 33 -9.892 5.449 5.674 1.00 0.00 C ATOM 529 C THR A 33 -9.115 5.275 4.357 1.00 0.00 C ATOM 530 O THR A 33 -8.008 4.737 4.342 1.00 0.00 O ATOM 531 CB THR A 33 -11.179 4.618 5.624 1.00 0.00 C ATOM 532 OG1 THR A 33 -12.053 5.158 4.641 1.00 0.00 O ATOM 533 CG2 THR A 33 -11.867 4.651 6.991 1.00 0.00 C ATOM 0 H THR A 33 -11.188 7.096 5.712 1.00 0.00 H new ATOM 0 HA THR A 33 -9.258 5.104 6.491 1.00 0.00 H new ATOM 0 HB THR A 33 -10.934 3.587 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.273 4.466 3.983 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.782 4.059 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.198 4.236 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.112 5.681 7.250 1.00 0.00 H new ATOM 541 N TYR A 34 -9.744 5.696 3.250 1.00 0.00 N ATOM 542 CA TYR A 34 -9.164 5.553 1.903 1.00 0.00 C ATOM 543 C TYR A 34 -8.499 6.831 1.362 1.00 0.00 C ATOM 544 O TYR A 34 -8.115 6.863 0.192 1.00 0.00 O ATOM 545 CB TYR A 34 -10.259 5.115 0.926 1.00 0.00 C ATOM 546 CG TYR A 34 -10.876 3.821 1.404 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.198 2.610 1.217 1.00 0.00 C ATOM 548 CD2 TYR A 34 -12.125 3.832 2.038 1.00 0.00 C ATOM 549 CE1 TYR A 34 -10.769 1.412 1.662 1.00 0.00 C ATOM 550 CE2 TYR A 34 -12.695 2.635 2.482 1.00 0.00 C ATOM 551 CZ TYR A 34 -12.018 1.424 2.295 1.00 0.00 C ATOM 552 OH TYR A 34 -12.580 0.243 2.733 1.00 0.00 O ATOM 0 H TYR A 34 -10.661 6.142 3.260 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.376 4.805 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.024 5.888 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.839 4.983 -0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.234 2.600 0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.648 4.766 2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.246 0.478 1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.659 2.645 2.970 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.447 0.428 3.151 1.00 0.00 H new ATOM 562 N GLN A 35 -8.409 7.885 2.176 1.00 0.00 N ATOM 563 CA GLN A 35 -7.829 9.165 1.721 1.00 0.00 C ATOM 564 C GLN A 35 -6.705 8.982 0.712 1.00 0.00 C ATOM 565 O GLN A 35 -6.513 9.838 -0.153 1.00 0.00 O ATOM 566 CB GLN A 35 -7.277 9.984 2.894 1.00 0.00 C ATOM 567 CG GLN A 35 -5.982 9.354 3.430 1.00 0.00 C ATOM 568 CD GLN A 35 -6.274 7.991 4.040 1.00 0.00 C ATOM 569 OE1 GLN A 35 -7.477 7.733 4.457 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -5.388 7.143 4.133 1.00 0.00 N flip ATOM 0 H GLN A 35 -8.725 7.885 3.146 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.653 9.694 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.084 11.007 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.020 10.036 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.257 9.251 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.534 10.007 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.446 7.352 3.804 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.596 6.231 4.539 1.00 0.00 H new ATOM 579 N THR A 36 -5.957 7.888 0.814 1.00 0.00 N ATOM 580 CA THR A 36 -4.867 7.678 -0.121 1.00 0.00 C ATOM 581 C THR A 36 -5.429 7.649 -1.536 1.00 0.00 C ATOM 582 O THR A 36 -6.089 6.692 -1.940 1.00 0.00 O ATOM 583 CB THR A 36 -4.155 6.357 0.189 1.00 0.00 C ATOM 584 OG1 THR A 36 -3.777 6.337 1.558 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.907 6.224 -0.688 1.00 0.00 C ATOM 0 H THR A 36 -6.082 7.156 1.513 1.00 0.00 H new ATOM 0 HA THR A 36 -4.145 8.489 -0.030 1.00 0.00 H new ATOM 0 HB THR A 36 -4.829 5.525 -0.017 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.323 5.492 1.760 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.404 5.283 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.197 6.239 -1.739 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.230 7.054 -0.486 1.00 0.00 H new ATOM 593 N MET A 37 -5.169 8.725 -2.270 1.00 0.00 N ATOM 594 CA MET A 37 -5.656 8.854 -3.640 1.00 0.00 C ATOM 595 C MET A 37 -5.092 7.749 -4.533 1.00 0.00 C ATOM 596 O MET A 37 -3.886 7.693 -4.774 1.00 0.00 O ATOM 597 CB MET A 37 -5.259 10.222 -4.202 1.00 0.00 C ATOM 598 CG MET A 37 -5.991 11.327 -3.433 1.00 0.00 C ATOM 599 SD MET A 37 -7.708 11.425 -4.001 1.00 0.00 S ATOM 600 CE MET A 37 -7.428 12.554 -5.387 1.00 0.00 C ATOM 0 H MET A 37 -4.624 9.521 -1.940 1.00 0.00 H new ATOM 0 HA MET A 37 -6.742 8.761 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.181 10.361 -4.120 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.508 10.277 -5.262 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.962 11.120 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.491 12.283 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 37 -8.383 12.811 -5.846 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.943 13.461 -5.025 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.789 12.071 -6.126 1.00 0.00 H new ATOM 610 N PRO A 38 -5.940 6.882 -5.035 1.00 0.00 N ATOM 611 CA PRO A 38 -5.520 5.770 -5.930 1.00 0.00 C ATOM 612 C PRO A 38 -5.386 6.236 -7.377 1.00 0.00 C ATOM 613 O PRO A 38 -6.152 7.085 -7.835 1.00 0.00 O ATOM 614 CB PRO A 38 -6.656 4.762 -5.785 1.00 0.00 C ATOM 615 CG PRO A 38 -7.871 5.588 -5.515 1.00 0.00 C ATOM 616 CD PRO A 38 -7.397 6.864 -4.807 1.00 0.00 C ATOM 0 HA PRO A 38 -4.544 5.362 -5.668 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.775 4.168 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.463 4.064 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.386 5.831 -6.444 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.579 5.041 -4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.876 7.751 -5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.634 6.841 -3.743 1.00 0.00 H new ATOM 624 N ARG A 39 -4.416 5.676 -8.093 1.00 0.00 N ATOM 625 CA ARG A 39 -4.207 6.050 -9.489 1.00 0.00 C ATOM 626 C ARG A 39 -5.439 5.709 -10.303 1.00 0.00 C ATOM 627 O ARG A 39 -5.841 6.460 -11.192 1.00 0.00 O ATOM 628 CB ARG A 39 -3.037 5.274 -10.082 1.00 0.00 C ATOM 629 CG ARG A 39 -1.800 5.431 -9.192 1.00 0.00 C ATOM 630 CD ARG A 39 -0.604 4.738 -9.850 1.00 0.00 C ATOM 631 NE ARG A 39 0.528 4.697 -8.929 1.00 0.00 N ATOM 632 CZ ARG A 39 0.584 3.810 -7.935 1.00 0.00 C ATOM 633 NH1 ARG A 39 -0.386 2.953 -7.764 1.00 0.00 N ATOM 634 NH2 ARG A 39 1.612 3.800 -7.131 1.00 0.00 N ATOM 0 H ARG A 39 -3.770 4.971 -7.737 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.003 7.120 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.298 4.220 -10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.821 5.637 -11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.582 6.488 -9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.989 4.998 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.879 3.725 -10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.323 5.269 -10.759 1.00 0.00 H new ATOM 0 HE ARG A 39 1.293 5.361 -9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.190 2.961 -8.392 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.340 2.276 -7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.370 4.470 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.658 3.123 -6.370 1.00 0.00 H new ATOM 648 N ARG A 40 -6.029 4.555 -9.996 1.00 0.00 N ATOM 649 CA ARG A 40 -7.206 4.109 -10.713 1.00 0.00 C ATOM 650 C ARG A 40 -8.391 4.987 -10.372 1.00 0.00 C ATOM 651 O ARG A 40 -9.037 4.824 -9.335 1.00 0.00 O ATOM 652 CB ARG A 40 -7.517 2.651 -10.370 1.00 0.00 C ATOM 653 CG ARG A 40 -6.438 1.745 -10.968 1.00 0.00 C ATOM 654 CD ARG A 40 -6.639 1.623 -12.483 1.00 0.00 C ATOM 655 NE ARG A 40 -7.922 0.990 -12.777 1.00 0.00 N ATOM 656 CZ ARG A 40 -8.079 -0.331 -12.707 1.00 0.00 C ATOM 657 NH1 ARG A 40 -7.077 -1.096 -12.365 1.00 0.00 N ATOM 658 NH2 ARG A 40 -9.239 -0.863 -12.981 1.00 0.00 N ATOM 0 H ARG A 40 -5.710 3.923 -9.262 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.009 4.183 -11.783 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.557 2.521 -9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.496 2.375 -10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.450 2.153 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.482 0.759 -10.506 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.600 2.611 -12.942 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.829 1.037 -12.918 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.716 1.573 -13.042 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.170 -0.682 -12.150 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.202 -2.107 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.023 -0.268 -13.248 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.362 -1.874 -12.928 1.00 0.00 H new ATOM 672 N GLY A 41 -8.660 5.911 -11.273 1.00 0.00 N ATOM 673 CA GLY A 41 -9.776 6.842 -11.116 1.00 0.00 C ATOM 674 C GLY A 41 -9.750 7.523 -9.750 1.00 0.00 C ATOM 675 O GLY A 41 -10.406 7.071 -8.810 1.00 0.00 O ATOM 0 H GLY A 41 -8.121 6.043 -12.129 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.734 7.597 -11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.718 6.307 -11.239 1.00 0.00 H new ATOM 679 N MET A 42 -8.994 8.616 -9.650 1.00 0.00 N ATOM 680 CA MET A 42 -8.891 9.360 -8.394 1.00 0.00 C ATOM 681 C MET A 42 -10.274 9.794 -7.909 1.00 0.00 C ATOM 682 O MET A 42 -11.267 9.648 -8.623 1.00 0.00 O ATOM 683 CB MET A 42 -8.006 10.595 -8.592 1.00 0.00 C ATOM 684 CG MET A 42 -6.567 10.157 -8.876 1.00 0.00 C ATOM 685 SD MET A 42 -5.505 11.617 -8.994 1.00 0.00 S ATOM 686 CE MET A 42 -3.978 10.754 -9.441 1.00 0.00 C ATOM 0 H MET A 42 -8.447 9.004 -10.418 1.00 0.00 H new ATOM 0 HA MET A 42 -8.445 8.708 -7.643 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.384 11.196 -9.419 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.036 11.223 -7.702 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.212 9.499 -8.083 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.525 9.588 -9.805 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.174 11.479 -9.566 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.713 10.051 -8.652 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.126 10.212 -10.375 1.00 0.00 H new ATOM 696 N GLU A 43 -10.332 10.326 -6.689 1.00 0.00 N ATOM 697 CA GLU A 43 -11.602 10.771 -6.121 1.00 0.00 C ATOM 698 C GLU A 43 -12.118 12.005 -6.864 1.00 0.00 C ATOM 699 O GLU A 43 -11.394 12.988 -7.024 1.00 0.00 O ATOM 700 CB GLU A 43 -11.425 11.099 -4.634 1.00 0.00 C ATOM 701 CG GLU A 43 -12.798 11.173 -3.958 1.00 0.00 C ATOM 702 CD GLU A 43 -12.636 11.429 -2.461 1.00 0.00 C ATOM 703 OE1 GLU A 43 -12.113 12.473 -2.111 1.00 0.00 O ATOM 704 OE2 GLU A 43 -13.046 10.580 -1.686 1.00 0.00 O ATOM 0 H GLU A 43 -9.524 10.458 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.330 9.967 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.812 10.336 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.901 12.048 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.391 11.969 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.341 10.242 -4.118 1.00 0.00 H new ATOM 711 N PRO A 44 -13.348 11.964 -7.323 1.00 0.00 N ATOM 712 CA PRO A 44 -13.970 13.098 -8.074 1.00 0.00 C ATOM 713 C PRO A 44 -14.132 14.351 -7.216 1.00 0.00 C ATOM 714 O PRO A 44 -14.184 15.465 -7.741 1.00 0.00 O ATOM 715 CB PRO A 44 -15.336 12.554 -8.509 1.00 0.00 C ATOM 716 CG PRO A 44 -15.628 11.415 -7.591 1.00 0.00 C ATOM 717 CD PRO A 44 -14.280 10.834 -7.173 1.00 0.00 C ATOM 0 HA PRO A 44 -13.347 13.412 -8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.105 13.323 -8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.313 12.224 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.190 11.753 -6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.237 10.661 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.303 10.468 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.994 9.993 -7.805 1.00 0.00 H new ATOM 725 N HIS A 45 -14.216 14.164 -5.901 1.00 0.00 N ATOM 726 CA HIS A 45 -14.378 15.293 -4.988 1.00 0.00 C ATOM 727 C HIS A 45 -13.306 16.349 -5.247 1.00 0.00 C ATOM 728 O HIS A 45 -13.604 17.543 -5.318 1.00 0.00 O ATOM 729 CB HIS A 45 -14.287 14.815 -3.536 1.00 0.00 C ATOM 730 CG HIS A 45 -15.427 13.877 -3.244 1.00 0.00 C ATOM 731 ND1 HIS A 45 -15.221 12.567 -2.842 1.00 0.00 N ATOM 732 CD2 HIS A 45 -16.789 14.043 -3.294 1.00 0.00 C ATOM 733 CE1 HIS A 45 -16.429 12.001 -2.669 1.00 0.00 C ATOM 734 NE2 HIS A 45 -17.419 12.858 -2.931 1.00 0.00 N ATOM 0 H HIS A 45 -14.175 13.251 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.359 15.735 -5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -13.335 14.311 -3.367 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -14.321 15.668 -2.858 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.294 14.956 -3.573 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.580 10.978 -2.356 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -18.422 12.681 -2.877 1.00 0.00 H new ATOM 742 N MET A 46 -12.062 15.900 -5.398 1.00 0.00 N ATOM 743 CA MET A 46 -10.957 16.817 -5.660 1.00 0.00 C ATOM 744 C MET A 46 -11.133 17.470 -7.030 1.00 0.00 C ATOM 745 O MET A 46 -10.918 18.671 -7.194 1.00 0.00 O ATOM 746 CB MET A 46 -9.626 16.057 -5.635 1.00 0.00 C ATOM 747 CG MET A 46 -9.480 15.287 -4.320 1.00 0.00 C ATOM 748 SD MET A 46 -9.790 16.392 -2.921 1.00 0.00 S ATOM 749 CE MET A 46 -10.396 15.128 -1.775 1.00 0.00 C ATOM 0 H MET A 46 -11.796 14.917 -5.344 1.00 0.00 H new ATOM 0 HA MET A 46 -10.953 17.585 -4.887 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.578 15.366 -6.477 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.798 16.756 -5.749 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.181 14.452 -4.298 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.478 14.864 -4.245 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.444 15.319 -1.544 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.299 14.144 -2.234 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.810 15.159 -0.856 1.00 0.00 H new ATOM 759 N SER A 47 -11.526 16.654 -8.006 1.00 0.00 N ATOM 760 CA SER A 47 -11.734 17.125 -9.373 1.00 0.00 C ATOM 761 C SER A 47 -12.778 18.238 -9.432 1.00 0.00 C ATOM 762 O SER A 47 -12.695 19.131 -10.275 1.00 0.00 O ATOM 763 CB SER A 47 -12.180 15.961 -10.260 1.00 0.00 C ATOM 764 OG SER A 47 -11.259 14.887 -10.125 1.00 0.00 O ATOM 0 H SER A 47 -11.707 15.659 -7.874 1.00 0.00 H new ATOM 0 HA SER A 47 -10.788 17.528 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.181 15.635 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.233 16.281 -11.301 1.00 0.00 H new ATOM 0 HG SER A 47 -11.543 14.139 -10.691 1.00 0.00 H new ATOM 770 N GLU A 48 -13.769 18.169 -8.547 1.00 0.00 N ATOM 771 CA GLU A 48 -14.831 19.172 -8.528 1.00 0.00 C ATOM 772 C GLU A 48 -14.243 20.576 -8.394 1.00 0.00 C ATOM 773 O GLU A 48 -14.532 21.457 -9.205 1.00 0.00 O ATOM 774 CB GLU A 48 -15.791 18.896 -7.362 1.00 0.00 C ATOM 775 CG GLU A 48 -17.244 19.015 -7.841 1.00 0.00 C ATOM 776 CD GLU A 48 -17.765 20.437 -7.637 1.00 0.00 C ATOM 777 OE1 GLU A 48 -17.017 21.369 -7.883 1.00 0.00 O ATOM 778 OE2 GLU A 48 -18.911 20.574 -7.240 1.00 0.00 O ATOM 0 H GLU A 48 -13.859 17.438 -7.841 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.379 19.113 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.612 17.898 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.607 19.603 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.308 18.747 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.871 18.311 -7.295 1.00 0.00 H new ATOM 785 N CYS A 49 -13.410 20.774 -7.376 1.00 0.00 N ATOM 786 CA CYS A 49 -12.781 22.074 -7.159 1.00 0.00 C ATOM 787 C CYS A 49 -11.775 22.382 -8.270 1.00 0.00 C ATOM 788 O CYS A 49 -11.574 23.542 -8.623 1.00 0.00 O ATOM 789 CB CYS A 49 -12.078 22.102 -5.791 1.00 0.00 C ATOM 790 SG CYS A 49 -13.146 22.929 -4.584 1.00 0.00 S ATOM 0 H CYS A 49 -13.156 20.059 -6.694 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.559 22.837 -7.176 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.857 21.087 -5.462 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.125 22.626 -5.870 1.00 0.00 H new ATOM 795 N CYS A 50 -11.146 21.334 -8.808 1.00 0.00 N ATOM 796 CA CYS A 50 -10.147 21.492 -9.871 1.00 0.00 C ATOM 797 C CYS A 50 -10.660 22.345 -11.028 1.00 0.00 C ATOM 798 O CYS A 50 -9.938 23.198 -11.545 1.00 0.00 O ATOM 799 CB CYS A 50 -9.740 20.124 -10.417 1.00 0.00 C ATOM 800 SG CYS A 50 -8.348 20.319 -11.562 1.00 0.00 S ATOM 0 H CYS A 50 -11.310 20.367 -8.526 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.291 21.998 -9.425 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -9.460 19.462 -9.597 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.583 19.659 -10.928 1.00 0.00 H new ATOM 805 N GLU A 51 -11.896 22.096 -11.448 1.00 0.00 N ATOM 806 CA GLU A 51 -12.473 22.837 -12.565 1.00 0.00 C ATOM 807 C GLU A 51 -12.490 24.341 -12.292 1.00 0.00 C ATOM 808 O GLU A 51 -12.272 25.142 -13.199 1.00 0.00 O ATOM 809 CB GLU A 51 -13.899 22.345 -12.838 1.00 0.00 C ATOM 810 CG GLU A 51 -14.433 22.996 -14.121 1.00 0.00 C ATOM 811 CD GLU A 51 -13.628 22.528 -15.337 1.00 0.00 C ATOM 812 OE1 GLU A 51 -13.137 21.410 -15.315 1.00 0.00 O ATOM 813 OE2 GLU A 51 -13.518 23.297 -16.277 1.00 0.00 O ATOM 0 H GLU A 51 -12.512 21.395 -11.037 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.849 22.660 -13.441 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.907 21.260 -12.939 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.547 22.592 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.484 22.742 -14.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.376 24.081 -14.036 1.00 0.00 H new ATOM 820 N GLN A 52 -12.761 24.718 -11.045 1.00 0.00 N ATOM 821 CA GLN A 52 -12.816 26.132 -10.677 1.00 0.00 C ATOM 822 C GLN A 52 -11.487 26.835 -10.955 1.00 0.00 C ATOM 823 O GLN A 52 -11.453 27.848 -11.653 1.00 0.00 O ATOM 824 CB GLN A 52 -13.179 26.259 -9.200 1.00 0.00 C ATOM 825 CG GLN A 52 -14.539 25.597 -8.958 1.00 0.00 C ATOM 826 CD GLN A 52 -15.665 26.599 -9.196 1.00 0.00 C ATOM 827 OE1 GLN A 52 -15.768 27.175 -10.278 1.00 0.00 O ATOM 828 NE2 GLN A 52 -16.522 26.841 -8.241 1.00 0.00 N ATOM 0 H GLN A 52 -12.945 24.071 -10.278 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.579 26.616 -11.286 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.415 25.785 -8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.216 27.309 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.658 24.741 -9.622 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.590 25.218 -7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.435 26.362 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -17.278 27.509 -8.392 1.00 0.00 H new ATOM 837 N LEU A 53 -10.391 26.285 -10.424 1.00 0.00 N ATOM 838 CA LEU A 53 -9.068 26.875 -10.653 1.00 0.00 C ATOM 839 C LEU A 53 -8.798 26.867 -12.139 1.00 0.00 C ATOM 840 O LEU A 53 -8.423 27.870 -12.746 1.00 0.00 O ATOM 841 CB LEU A 53 -7.968 26.035 -9.990 1.00 0.00 C ATOM 842 CG LEU A 53 -8.357 25.591 -8.573 1.00 0.00 C ATOM 843 CD1 LEU A 53 -9.412 26.523 -7.956 1.00 0.00 C ATOM 844 CD2 LEU A 53 -8.912 24.170 -8.660 1.00 0.00 C ATOM 0 H LEU A 53 -10.391 25.447 -9.843 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.061 27.882 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.765 25.156 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.046 26.614 -9.948 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.476 25.629 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.662 26.176 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.015 27.537 -7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.309 26.518 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.197 23.829 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.786 24.160 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.149 23.506 -9.067 1.00 0.00 H new ATOM 856 N GLU A 54 -9.017 25.692 -12.693 1.00 0.00 N ATOM 857 CA GLU A 54 -8.843 25.437 -14.101 1.00 0.00 C ATOM 858 C GLU A 54 -9.642 26.436 -14.939 1.00 0.00 C ATOM 859 O GLU A 54 -9.222 26.818 -16.032 1.00 0.00 O ATOM 860 CB GLU A 54 -9.279 23.996 -14.346 1.00 0.00 C ATOM 861 CG GLU A 54 -9.320 23.689 -15.849 1.00 0.00 C ATOM 862 CD GLU A 54 -9.882 22.286 -16.096 1.00 0.00 C ATOM 863 OE1 GLU A 54 -10.199 21.606 -15.132 1.00 0.00 O ATOM 864 OE2 GLU A 54 -9.986 21.911 -17.253 1.00 0.00 O ATOM 0 H GLU A 54 -9.326 24.876 -12.165 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.803 25.565 -14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.590 23.313 -13.849 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.264 23.830 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.936 24.429 -16.360 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.317 23.764 -16.269 1.00 0.00 H new ATOM 871 N GLY A 55 -10.781 26.871 -14.405 1.00 0.00 N ATOM 872 CA GLY A 55 -11.624 27.846 -15.095 1.00 0.00 C ATOM 873 C GLY A 55 -11.197 29.269 -14.737 1.00 0.00 C ATOM 874 O GLY A 55 -11.594 30.233 -15.392 1.00 0.00 O ATOM 0 H GLY A 55 -11.141 26.566 -13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.553 27.699 -16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.668 27.693 -14.820 1.00 0.00 H new ATOM 878 N MET A 56 -10.381 29.383 -13.691 1.00 0.00 N ATOM 879 CA MET A 56 -9.886 30.680 -13.233 1.00 0.00 C ATOM 880 C MET A 56 -8.631 31.075 -14.004 1.00 0.00 C ATOM 881 O MET A 56 -7.788 30.227 -14.306 1.00 0.00 O ATOM 882 CB MET A 56 -9.569 30.608 -11.732 1.00 0.00 C ATOM 883 CG MET A 56 -8.991 31.942 -11.252 1.00 0.00 C ATOM 884 SD MET A 56 -10.285 33.205 -11.269 1.00 0.00 S ATOM 885 CE MET A 56 -10.273 33.568 -9.498 1.00 0.00 C ATOM 0 H MET A 56 -10.048 28.590 -13.143 1.00 0.00 H new ATOM 0 HA MET A 56 -10.655 31.432 -13.409 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.474 30.372 -11.172 1.00 0.00 H new ATOM 0 HB3 MET A 56 -8.858 29.805 -11.541 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.588 31.834 -10.245 1.00 0.00 H new ATOM 0 HG3 MET A 56 -8.165 32.245 -11.896 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.249 33.949 -9.198 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.053 32.657 -8.941 1.00 0.00 H new ATOM 0 HE3 MET A 56 -9.510 34.317 -9.285 1.00 0.00 H new ATOM 895 N ASP A 57 -8.507 32.367 -14.317 1.00 0.00 N ATOM 896 CA ASP A 57 -7.340 32.857 -15.047 1.00 0.00 C ATOM 897 C ASP A 57 -6.057 32.415 -14.347 1.00 0.00 C ATOM 898 O ASP A 57 -6.010 32.331 -13.120 1.00 0.00 O ATOM 899 CB ASP A 57 -7.380 34.387 -15.140 1.00 0.00 C ATOM 900 CG ASP A 57 -8.583 34.846 -15.967 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.148 34.029 -16.678 1.00 0.00 O ATOM 902 OD2 ASP A 57 -8.922 36.015 -15.877 1.00 0.00 O ATOM 0 H ASP A 57 -9.193 33.084 -14.079 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.357 32.439 -16.053 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.435 34.816 -14.139 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.459 34.753 -15.594 1.00 0.00 H new ATOM 907 N GLU A 58 -5.025 32.121 -15.133 1.00 0.00 N ATOM 908 CA GLU A 58 -3.754 31.670 -14.574 1.00 0.00 C ATOM 909 C GLU A 58 -3.219 32.637 -13.521 1.00 0.00 C ATOM 910 O GLU A 58 -2.977 32.247 -12.379 1.00 0.00 O ATOM 911 CB GLU A 58 -2.721 31.524 -15.693 1.00 0.00 C ATOM 912 CG GLU A 58 -1.349 31.259 -15.076 1.00 0.00 C ATOM 913 CD GLU A 58 -0.298 31.112 -16.173 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.293 30.082 -16.829 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.489 32.030 -16.340 1.00 0.00 O ATOM 0 H GLU A 58 -5.043 32.186 -16.151 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.930 30.708 -14.092 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.999 30.705 -16.357 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.692 32.430 -16.299 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.078 32.078 -14.409 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.383 30.353 -14.471 1.00 0.00 H new ATOM 922 N SER A 59 -3.032 33.894 -13.909 1.00 0.00 N ATOM 923 CA SER A 59 -2.523 34.901 -12.983 1.00 0.00 C ATOM 924 C SER A 59 -3.420 34.990 -11.755 1.00 0.00 C ATOM 925 O SER A 59 -2.954 35.227 -10.640 1.00 0.00 O ATOM 926 CB SER A 59 -2.464 36.262 -13.679 1.00 0.00 C ATOM 927 OG SER A 59 -1.660 36.157 -14.847 1.00 0.00 O ATOM 0 H SER A 59 -3.223 34.239 -14.850 1.00 0.00 H new ATOM 0 HA SER A 59 -1.520 34.613 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.469 36.592 -13.943 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.050 37.011 -13.004 1.00 0.00 H new ATOM 0 HG SER A 59 -1.621 37.027 -15.297 1.00 0.00 H new ATOM 933 N CYS A 60 -4.711 34.793 -11.983 1.00 0.00 N ATOM 934 CA CYS A 60 -5.702 34.845 -10.910 1.00 0.00 C ATOM 935 C CYS A 60 -5.639 33.592 -10.044 1.00 0.00 C ATOM 936 O CYS A 60 -6.045 33.607 -8.881 1.00 0.00 O ATOM 937 CB CYS A 60 -7.105 34.992 -11.502 1.00 0.00 C ATOM 938 SG CYS A 60 -7.184 36.504 -12.493 1.00 0.00 S ATOM 0 H CYS A 60 -5.101 34.595 -12.905 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.478 35.708 -10.283 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.343 34.126 -12.120 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.846 35.028 -10.704 1.00 0.00 H new ATOM 943 N ARG A 61 -5.152 32.503 -10.631 1.00 0.00 N ATOM 944 CA ARG A 61 -5.063 31.230 -9.926 1.00 0.00 C ATOM 945 C ARG A 61 -4.152 31.340 -8.706 1.00 0.00 C ATOM 946 O ARG A 61 -4.445 30.768 -7.655 1.00 0.00 O ATOM 947 CB ARG A 61 -4.517 30.162 -10.878 1.00 0.00 C ATOM 948 CG ARG A 61 -4.672 28.770 -10.257 1.00 0.00 C ATOM 949 CD ARG A 61 -3.998 27.738 -11.163 1.00 0.00 C ATOM 950 NE ARG A 61 -4.489 27.879 -12.532 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.456 27.103 -13.017 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.971 26.150 -12.286 1.00 0.00 N ATOM 953 NH2 ARG A 61 -5.886 27.293 -14.233 1.00 0.00 N ATOM 0 H ARG A 61 -4.813 32.477 -11.593 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.060 30.953 -9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.049 30.205 -11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.466 30.358 -11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.222 28.749 -9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.728 28.529 -10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.917 27.873 -11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.202 26.732 -10.797 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.079 28.593 -13.134 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.632 25.996 -11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.712 25.560 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.482 28.033 -14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.627 26.702 -14.610 1.00 0.00 H new ATOM 967 N CYS A 62 -3.052 32.078 -8.846 1.00 0.00 N ATOM 968 CA CYS A 62 -2.118 32.248 -7.737 1.00 0.00 C ATOM 969 C CYS A 62 -2.843 32.838 -6.529 1.00 0.00 C ATOM 970 O CYS A 62 -2.885 32.235 -5.456 1.00 0.00 O ATOM 971 CB CYS A 62 -0.972 33.179 -8.153 1.00 0.00 C ATOM 972 SG CYS A 62 -0.509 32.853 -9.873 1.00 0.00 S ATOM 0 H CYS A 62 -2.789 32.562 -9.705 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.710 31.273 -7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.277 34.219 -8.040 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.112 33.026 -7.500 1.00 0.00 H new ATOM 977 N GLU A 63 -3.423 34.020 -6.727 1.00 0.00 N ATOM 978 CA GLU A 63 -4.164 34.702 -5.671 1.00 0.00 C ATOM 979 C GLU A 63 -5.326 33.843 -5.177 1.00 0.00 C ATOM 980 O GLU A 63 -5.656 33.846 -3.991 1.00 0.00 O ATOM 981 CB GLU A 63 -4.712 36.028 -6.206 1.00 0.00 C ATOM 982 CG GLU A 63 -5.296 36.857 -5.052 1.00 0.00 C ATOM 983 CD GLU A 63 -5.990 38.112 -5.586 1.00 0.00 C ATOM 984 OE1 GLU A 63 -6.086 38.255 -6.796 1.00 0.00 O ATOM 985 OE2 GLU A 63 -6.419 38.915 -4.773 1.00 0.00 O ATOM 0 H GLU A 63 -3.393 34.526 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.485 34.884 -4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.917 36.587 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.481 35.838 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.007 36.254 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.501 37.140 -4.362 1.00 0.00 H new ATOM 992 N GLY A 64 -5.959 33.132 -6.111 1.00 0.00 N ATOM 993 CA GLY A 64 -7.110 32.292 -5.788 1.00 0.00 C ATOM 994 C GLY A 64 -6.820 31.331 -4.641 1.00 0.00 C ATOM 995 O GLY A 64 -7.507 31.355 -3.620 1.00 0.00 O ATOM 0 H GLY A 64 -5.694 33.122 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.957 32.925 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.401 31.723 -6.671 1.00 0.00 H new ATOM 999 N LEU A 65 -5.813 30.481 -4.815 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.463 29.511 -3.782 1.00 0.00 C ATOM 1001 C LEU A 65 -5.168 30.194 -2.451 1.00 0.00 C ATOM 1002 O LEU A 65 -5.643 29.754 -1.406 1.00 0.00 O ATOM 1003 CB LEU A 65 -4.248 28.687 -4.221 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.601 27.876 -5.473 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.414 26.991 -5.861 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.824 26.994 -5.185 1.00 0.00 C ATOM 0 H LEU A 65 -5.230 30.443 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.320 28.852 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.405 29.346 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.940 28.018 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.829 28.557 -6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.666 26.415 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.546 27.617 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.184 26.310 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.075 26.418 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.597 26.314 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.670 27.624 -4.910 1.00 0.00 H new ATOM 1018 N ARG A 66 -4.386 31.271 -2.492 1.00 0.00 N ATOM 1019 CA ARG A 66 -4.048 31.994 -1.270 1.00 0.00 C ATOM 1020 C ARG A 66 -5.312 32.470 -0.558 1.00 0.00 C ATOM 1021 O ARG A 66 -5.512 32.194 0.626 1.00 0.00 O ATOM 1022 CB ARG A 66 -3.164 33.200 -1.603 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.824 32.716 -2.165 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.918 33.920 -2.439 1.00 0.00 C ATOM 1025 NE ARG A 66 -0.518 34.551 -1.183 1.00 0.00 N ATOM 1026 CZ ARG A 66 0.450 34.040 -0.423 1.00 0.00 C ATOM 1027 NH1 ARG A 66 1.070 32.951 -0.792 1.00 0.00 N ATOM 1028 NH2 ARG A 66 0.780 34.629 0.692 1.00 0.00 N ATOM 0 H ARG A 66 -3.980 31.657 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.507 31.316 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.664 33.841 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.999 33.801 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.344 32.040 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.986 32.153 -3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.034 33.600 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.441 34.642 -3.066 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.991 35.403 -0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.814 32.489 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.810 32.563 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.297 35.480 0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.521 34.239 1.275 1.00 0.00 H new ATOM 1042 N MET A 67 -6.161 33.183 -1.294 1.00 0.00 N ATOM 1043 CA MET A 67 -7.410 33.696 -0.738 1.00 0.00 C ATOM 1044 C MET A 67 -8.323 32.565 -0.272 1.00 0.00 C ATOM 1045 O MET A 67 -8.861 32.603 0.835 1.00 0.00 O ATOM 1046 CB MET A 67 -8.136 34.542 -1.790 1.00 0.00 C ATOM 1047 CG MET A 67 -9.584 34.782 -1.348 1.00 0.00 C ATOM 1048 SD MET A 67 -10.366 35.993 -2.446 1.00 0.00 S ATOM 1049 CE MET A 67 -9.383 37.431 -1.950 1.00 0.00 C ATOM 0 H MET A 67 -6.007 33.418 -2.275 1.00 0.00 H new ATOM 0 HA MET A 67 -7.164 34.310 0.128 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.623 35.495 -1.922 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.119 34.034 -2.754 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.141 33.845 -1.369 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.605 35.142 -0.320 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.040 38.288 -1.804 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.861 37.211 -1.019 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.656 37.661 -2.729 1.00 0.00 H new ATOM 1059 N MET A 68 -8.510 31.575 -1.138 1.00 0.00 N ATOM 1060 CA MET A 68 -9.382 30.448 -0.827 1.00 0.00 C ATOM 1061 C MET A 68 -8.879 29.660 0.379 1.00 0.00 C ATOM 1062 O MET A 68 -9.655 29.339 1.277 1.00 0.00 O ATOM 1063 CB MET A 68 -9.486 29.536 -2.053 1.00 0.00 C ATOM 1064 CG MET A 68 -9.972 28.143 -1.636 1.00 0.00 C ATOM 1065 SD MET A 68 -10.407 27.189 -3.109 1.00 0.00 S ATOM 1066 CE MET A 68 -8.730 26.993 -3.757 1.00 0.00 C ATOM 0 H MET A 68 -8.071 31.530 -2.058 1.00 0.00 H new ATOM 0 HA MET A 68 -10.368 30.837 -0.571 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.175 29.967 -2.779 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.515 29.459 -2.542 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.193 27.628 -1.073 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.836 28.230 -0.978 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.563 25.950 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.606 27.618 -4.641 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.009 27.293 -2.997 1.00 0.00 H new ATOM 1076 N MET A 69 -7.586 29.347 0.400 1.00 0.00 N ATOM 1077 CA MET A 69 -7.021 28.591 1.513 1.00 0.00 C ATOM 1078 C MET A 69 -7.391 29.246 2.841 1.00 0.00 C ATOM 1079 O MET A 69 -7.949 28.602 3.730 1.00 0.00 O ATOM 1080 CB MET A 69 -5.496 28.520 1.377 1.00 0.00 C ATOM 1081 CG MET A 69 -4.922 27.604 2.461 1.00 0.00 C ATOM 1082 SD MET A 69 -3.115 27.607 2.359 1.00 0.00 S ATOM 1083 CE MET A 69 -2.810 26.376 3.650 1.00 0.00 C ATOM 0 H MET A 69 -6.919 29.601 -0.329 1.00 0.00 H new ATOM 0 HA MET A 69 -7.431 27.581 1.492 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.227 28.144 0.390 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.067 29.518 1.466 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.242 27.944 3.446 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.302 26.590 2.334 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.737 26.220 3.757 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.221 26.730 4.595 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.288 25.435 3.376 1.00 0.00 H new ATOM 1093 N ARG A 70 -7.081 30.533 2.959 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.386 31.284 4.172 1.00 0.00 C ATOM 1095 C ARG A 70 -8.892 31.319 4.432 1.00 0.00 C ATOM 1096 O ARG A 70 -9.338 31.167 5.569 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.857 32.715 4.034 1.00 0.00 C ATOM 1098 CG ARG A 70 -5.332 32.683 3.889 1.00 0.00 C ATOM 1099 CD ARG A 70 -4.797 34.111 3.759 1.00 0.00 C ATOM 1100 NE ARG A 70 -3.393 34.086 3.359 1.00 0.00 N ATOM 1101 CZ ARG A 70 -2.841 35.099 2.691 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -3.550 36.154 2.387 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -1.586 35.038 2.339 1.00 0.00 N ATOM 0 H ARG A 70 -6.619 31.077 2.230 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.903 30.788 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.306 33.198 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.138 33.304 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.885 32.194 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.052 32.098 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.383 34.662 3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.903 34.635 4.709 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.822 33.275 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.531 36.205 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.122 36.926 1.876 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.029 34.216 2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.162 35.812 1.828 1.00 0.00 H new ATOM 1117 N MET A 71 -9.666 31.528 3.366 1.00 0.00 N ATOM 1118 CA MET A 71 -11.118 31.593 3.474 1.00 0.00 C ATOM 1119 C MET A 71 -11.689 30.257 3.929 1.00 0.00 C ATOM 1120 O MET A 71 -12.637 30.213 4.713 1.00 0.00 O ATOM 1121 CB MET A 71 -11.724 31.984 2.123 1.00 0.00 C ATOM 1122 CG MET A 71 -13.213 32.301 2.298 1.00 0.00 C ATOM 1123 SD MET A 71 -13.961 32.617 0.679 1.00 0.00 S ATOM 1124 CE MET A 71 -13.024 34.112 0.272 1.00 0.00 C ATOM 0 H MET A 71 -9.308 31.655 2.419 1.00 0.00 H new ATOM 0 HA MET A 71 -11.373 32.348 4.218 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.203 32.851 1.717 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.597 31.172 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.718 31.468 2.787 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.337 33.171 2.943 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.674 34.821 -0.240 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.645 34.564 1.188 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.188 33.852 -0.377 1.00 0.00 H new ATOM 1134 N MET A 72 -11.116 29.171 3.422 1.00 0.00 N ATOM 1135 CA MET A 72 -11.590 27.842 3.778 1.00 0.00 C ATOM 1136 C MET A 72 -11.543 27.634 5.286 1.00 0.00 C ATOM 1137 O MET A 72 -12.558 27.318 5.910 1.00 0.00 O ATOM 1138 CB MET A 72 -10.734 26.776 3.086 1.00 0.00 C ATOM 1139 CG MET A 72 -11.133 26.661 1.612 1.00 0.00 C ATOM 1140 SD MET A 72 -12.812 25.993 1.490 1.00 0.00 S ATOM 1141 CE MET A 72 -12.468 24.369 2.215 1.00 0.00 C ATOM 0 H MET A 72 -10.331 29.185 2.770 1.00 0.00 H new ATOM 0 HA MET A 72 -12.624 27.750 3.446 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.679 27.036 3.167 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.864 25.814 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.084 27.639 1.134 1.00 0.00 H new ATOM 0 HG3 MET A 72 -10.433 26.013 1.084 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.836 23.588 1.549 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.393 24.252 2.352 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.968 24.288 3.180 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.361 27.820 5.864 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.188 27.659 7.302 1.00 0.00 C ATOM 1153 C GLN A 73 -11.073 28.641 8.063 1.00 0.00 C ATOM 1154 O GLN A 73 -11.668 28.297 9.080 1.00 0.00 O ATOM 1155 CB GLN A 73 -8.722 27.881 7.683 1.00 0.00 C ATOM 1156 CG GLN A 73 -7.836 26.879 6.938 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.364 25.465 7.140 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.328 24.938 8.252 1.00 0.00 O ATOM 1159 NE2 GLN A 73 -8.871 24.824 6.126 1.00 0.00 N ATOM 0 H GLN A 73 -9.513 28.081 5.361 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.480 26.644 7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.423 28.899 7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.594 27.764 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.815 27.120 5.875 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.810 26.948 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.899 25.264 5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.240 23.882 6.251 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.145 29.868 7.560 1.00 0.00 N ATOM 1169 CA GLN A 74 -11.950 30.902 8.199 1.00 0.00 C ATOM 1170 C GLN A 74 -13.430 30.524 8.235 1.00 0.00 C ATOM 1171 O GLN A 74 -14.100 30.715 9.251 1.00 0.00 O ATOM 1172 CB GLN A 74 -11.763 32.231 7.460 1.00 0.00 C ATOM 1173 CG GLN A 74 -12.927 33.168 7.789 1.00 0.00 C ATOM 1174 CD GLN A 74 -13.890 33.232 6.610 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -13.920 32.246 5.759 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -14.635 34.201 6.464 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.658 30.170 6.716 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.612 31.005 9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.819 32.691 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.715 32.058 6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.450 32.815 8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.550 34.165 8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.608 34.971 7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.279 34.234 5.674 1.00 0.00 H new ATOM 1185 N LYS A 75 -13.935 30.002 7.124 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.342 29.624 7.043 1.00 0.00 C ATOM 1187 C LYS A 75 -15.690 28.587 8.107 1.00 0.00 C ATOM 1188 O LYS A 75 -16.745 28.661 8.739 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.642 29.055 5.653 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.149 28.813 5.502 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.870 30.146 5.276 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.358 29.888 5.029 1.00 0.00 C ATOM 1193 NZ LYS A 75 -19.537 29.237 3.700 1.00 0.00 N ATOM 0 H LYS A 75 -13.398 29.832 6.274 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.948 30.513 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.297 29.747 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.099 28.121 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.336 28.141 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.539 28.325 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.742 30.792 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.434 30.667 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.763 29.251 5.815 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.911 30.827 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.394 29.610 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.711 29.437 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.632 28.209 3.827 1.00 0.00 H new ATOM 1207 N GLU A 76 -14.796 27.626 8.294 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.013 26.571 9.283 1.00 0.00 C ATOM 1209 C GLU A 76 -13.722 25.795 9.535 1.00 0.00 C ATOM 1210 O GLU A 76 -13.565 24.668 9.061 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.110 25.615 8.794 1.00 0.00 C ATOM 1212 CG GLU A 76 -16.506 24.654 9.925 1.00 0.00 C ATOM 1213 CD GLU A 76 -17.220 25.408 11.048 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -17.838 26.424 10.765 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -17.138 24.958 12.179 1.00 0.00 O ATOM 0 H GLU A 76 -13.918 27.552 7.780 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.328 27.033 10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.980 26.183 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.755 25.050 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.157 23.872 9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.617 24.161 10.319 1.00 0.00 H new ATOM 1222 N MET A 77 -12.797 26.404 10.270 1.00 0.00 N ATOM 1223 CA MET A 77 -11.521 25.758 10.568 1.00 0.00 C ATOM 1224 C MET A 77 -11.739 24.405 11.245 1.00 0.00 C ATOM 1225 O MET A 77 -11.852 24.329 12.470 1.00 0.00 O ATOM 1226 CB MET A 77 -10.676 26.660 11.476 1.00 0.00 C ATOM 1227 CG MET A 77 -9.269 26.073 11.623 1.00 0.00 C ATOM 1228 SD MET A 77 -8.312 27.083 12.779 1.00 0.00 S ATOM 1229 CE MET A 77 -6.743 26.197 12.613 1.00 0.00 C ATOM 0 H MET A 77 -12.904 27.337 10.668 1.00 0.00 H new ATOM 0 HA MET A 77 -10.995 25.594 9.628 1.00 0.00 H new ATOM 0 HB2 MET A 77 -10.619 27.664 11.056 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.147 26.750 12.455 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.328 25.046 11.983 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.773 26.043 10.653 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.993 26.661 13.254 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.879 25.157 12.909 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.410 26.238 11.576 1.00 0.00 H new ATOM 1239 N GLN A 78 -11.783 23.341 10.446 1.00 0.00 N ATOM 1240 CA GLN A 78 -11.968 21.998 10.988 1.00 0.00 C ATOM 1241 C GLN A 78 -10.909 21.726 12.057 1.00 0.00 C ATOM 1242 O GLN A 78 -9.730 22.016 11.846 1.00 0.00 O ATOM 1243 CB GLN A 78 -11.855 20.957 9.867 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.244 20.401 9.537 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.135 19.322 8.462 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.323 18.404 8.581 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -13.910 19.378 7.413 1.00 0.00 N ATOM 0 H GLN A 78 -11.694 23.382 9.431 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.959 21.928 11.435 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.414 21.411 8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -11.192 20.148 10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.701 19.986 10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.894 21.205 9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -14.582 20.139 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.843 18.661 6.691 1.00 0.00 H new ATOM 1256 N PRO A 79 -11.289 21.186 13.189 1.00 0.00 N ATOM 1257 CA PRO A 79 -10.341 20.892 14.285 1.00 0.00 C ATOM 1258 C PRO A 79 -9.788 19.479 14.180 1.00 0.00 C ATOM 1259 O PRO A 79 -10.508 18.497 14.369 1.00 0.00 O ATOM 1260 CB PRO A 79 -11.220 21.039 15.518 1.00 0.00 C ATOM 1261 CG PRO A 79 -12.558 20.544 15.077 1.00 0.00 C ATOM 1262 CD PRO A 79 -12.652 20.791 13.563 1.00 0.00 C ATOM 0 HA PRO A 79 -9.465 21.541 14.285 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -10.835 20.454 16.353 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -11.269 22.076 15.851 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -12.670 19.483 15.302 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -13.356 21.068 15.603 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -12.969 19.895 13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -13.374 21.573 13.329 1.00 0.00 H new ATOM 1270 N ARG A 80 -8.506 19.397 13.890 1.00 0.00 N ATOM 1271 CA ARG A 80 -7.830 18.115 13.768 1.00 0.00 C ATOM 1272 C ARG A 80 -6.340 18.334 13.542 1.00 0.00 C ATOM 1273 O ARG A 80 -5.951 19.082 12.644 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.417 17.307 12.609 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.144 16.079 13.164 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.233 15.640 12.186 1.00 0.00 C ATOM 1277 NE ARG A 80 -11.550 16.026 12.690 1.00 0.00 N ATOM 1278 CZ ARG A 80 -12.161 17.138 12.281 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -11.585 17.930 11.417 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -13.341 17.437 12.748 1.00 0.00 N ATOM 0 H ARG A 80 -7.905 20.206 13.733 1.00 0.00 H new ATOM 0 HA ARG A 80 -7.976 17.556 14.692 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.108 17.924 12.034 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.624 16.997 11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.436 15.266 13.323 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -9.585 16.312 14.133 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.061 16.095 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.192 14.560 12.045 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.014 15.428 13.374 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.661 17.699 11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.059 18.779 11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.793 16.821 13.424 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.812 18.287 12.438 1.00 0.00 H new ATOM 1294 N GLY A 81 -5.508 17.691 14.354 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.069 17.853 14.208 1.00 0.00 C ATOM 1296 C GLY A 81 -3.473 16.815 13.260 1.00 0.00 C ATOM 1297 O GLY A 81 -3.095 17.138 12.137 1.00 0.00 O ATOM 0 H GLY A 81 -5.798 17.065 15.105 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.852 18.853 13.834 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.593 17.768 15.185 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.379 15.575 13.730 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.804 14.491 12.932 1.00 0.00 C ATOM 1303 C GLU A 82 -3.595 14.203 11.654 1.00 0.00 C ATOM 1304 O GLU A 82 -3.007 14.001 10.591 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.728 13.214 13.775 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.721 13.405 14.919 1.00 0.00 C ATOM 1307 CD GLU A 82 -2.335 14.228 16.055 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -3.548 14.207 16.200 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -1.579 14.870 16.766 1.00 0.00 O ATOM 0 H GLU A 82 -3.693 15.293 14.659 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.808 14.816 12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.711 12.976 14.180 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.428 12.372 13.151 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.406 12.433 15.298 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.828 13.905 14.543 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.921 14.144 11.764 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.761 13.831 10.607 1.00 0.00 C ATOM 1318 C GLN A 83 -5.583 14.844 9.473 1.00 0.00 C ATOM 1319 O GLN A 83 -5.110 14.498 8.391 1.00 0.00 O ATOM 1320 CB GLN A 83 -7.233 13.795 11.034 1.00 0.00 C ATOM 1321 CG GLN A 83 -8.099 13.287 9.877 1.00 0.00 C ATOM 1322 CD GLN A 83 -7.889 11.788 9.682 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -7.288 11.357 8.607 1.00 0.00 O flip ATOM 1324 NE2 GLN A 83 -8.284 10.990 10.531 1.00 0.00 N flip ATOM 0 H GLN A 83 -5.433 14.306 12.631 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.452 12.856 10.231 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.353 13.146 11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.558 14.791 11.333 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.150 13.491 10.083 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.844 13.820 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.754 11.329 11.371 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.142 9.989 10.395 1.00 0.00 H new ATOM 1333 N MET A 84 -5.975 16.089 9.728 1.00 0.00 N ATOM 1334 CA MET A 84 -5.865 17.143 8.722 1.00 0.00 C ATOM 1335 C MET A 84 -4.416 17.406 8.314 1.00 0.00 C ATOM 1336 O MET A 84 -4.158 17.803 7.179 1.00 0.00 O ATOM 1337 CB MET A 84 -6.530 18.425 9.223 1.00 0.00 C ATOM 1338 CG MET A 84 -8.054 18.291 9.091 1.00 0.00 C ATOM 1339 SD MET A 84 -8.844 19.812 9.673 1.00 0.00 S ATOM 1340 CE MET A 84 -8.364 20.874 8.288 1.00 0.00 C ATOM 0 H MET A 84 -6.370 16.393 10.618 1.00 0.00 H new ATOM 0 HA MET A 84 -6.387 16.798 7.829 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.258 18.607 10.263 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.177 19.280 8.647 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.325 18.102 8.052 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.407 17.439 9.673 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.202 21.515 8.014 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.515 21.491 8.580 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.086 20.256 7.434 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.469 17.191 9.228 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.062 17.423 8.898 1.00 0.00 C ATOM 1352 C ARG A 85 -1.706 16.693 7.606 1.00 0.00 C ATOM 1353 O ARG A 85 -1.082 17.264 6.712 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.159 16.934 10.036 1.00 0.00 C ATOM 1355 CG ARG A 85 0.312 17.150 9.666 1.00 0.00 C ATOM 1356 CD ARG A 85 1.195 16.758 10.853 1.00 0.00 C ATOM 1357 NE ARG A 85 1.106 15.319 11.092 1.00 0.00 N ATOM 1358 CZ ARG A 85 1.003 14.817 12.323 1.00 0.00 C ATOM 1359 NH1 ARG A 85 0.992 15.607 13.364 1.00 0.00 N ATOM 1360 NH2 ARG A 85 0.917 13.526 12.490 1.00 0.00 N ATOM 0 H ARG A 85 -3.643 16.865 10.179 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.906 18.493 8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.394 17.471 10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.343 15.877 10.229 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.571 16.552 8.792 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.483 18.193 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.230 17.038 10.655 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.882 17.302 11.744 1.00 0.00 H new ATOM 0 HE ARG A 85 1.123 14.682 10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.063 16.617 13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.913 15.214 14.302 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.929 12.905 11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.838 13.137 13.430 1.00 0.00 H new ATOM 1374 N ARG A 86 -2.133 15.437 7.508 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.882 14.645 6.310 1.00 0.00 C ATOM 1376 C ARG A 86 -2.538 15.308 5.100 1.00 0.00 C ATOM 1377 O ARG A 86 -1.984 15.316 4.000 1.00 0.00 O ATOM 1378 CB ARG A 86 -2.438 13.231 6.497 1.00 0.00 C ATOM 1379 CG ARG A 86 -1.703 12.544 7.652 1.00 0.00 C ATOM 1380 CD ARG A 86 -2.214 11.112 7.815 1.00 0.00 C ATOM 1381 NE ARG A 86 -1.684 10.525 9.042 1.00 0.00 N ATOM 1382 CZ ARG A 86 -2.140 9.366 9.512 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -3.077 8.719 8.872 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -1.647 8.873 10.614 1.00 0.00 N ATOM 0 H ARG A 86 -2.651 14.949 8.239 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.807 14.585 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.507 13.273 6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.315 12.656 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.630 12.537 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.857 13.102 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.304 11.108 7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.914 10.511 6.956 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.948 11.014 9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.462 9.101 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.423 7.831 9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.913 9.375 11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.995 7.985 10.976 1.00 0.00 H new ATOM 1398 N MET A 87 -3.730 15.864 5.328 1.00 0.00 N ATOM 1399 CA MET A 87 -4.485 16.537 4.273 1.00 0.00 C ATOM 1400 C MET A 87 -3.660 17.642 3.618 1.00 0.00 C ATOM 1401 O MET A 87 -3.849 17.945 2.442 1.00 0.00 O ATOM 1402 CB MET A 87 -5.765 17.149 4.853 1.00 0.00 C ATOM 1403 CG MET A 87 -6.673 17.627 3.715 1.00 0.00 C ATOM 1404 SD MET A 87 -7.798 18.908 4.328 1.00 0.00 S ATOM 1405 CE MET A 87 -8.833 17.853 5.371 1.00 0.00 C ATOM 0 H MET A 87 -4.193 15.860 6.237 1.00 0.00 H new ATOM 0 HA MET A 87 -4.735 15.792 3.518 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.288 16.412 5.463 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.516 17.985 5.507 1.00 0.00 H new ATOM 0 HG2 MET A 87 -6.070 18.020 2.897 1.00 0.00 H new ATOM 0 HG3 MET A 87 -7.244 16.789 3.316 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.142 18.408 6.257 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.715 17.542 4.812 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.266 16.972 5.674 1.00 0.00 H new ATOM 1415 N MET A 88 -2.762 18.258 4.387 1.00 0.00 N ATOM 1416 CA MET A 88 -1.942 19.346 3.862 1.00 0.00 C ATOM 1417 C MET A 88 -1.316 18.959 2.527 1.00 0.00 C ATOM 1418 O MET A 88 -1.455 19.679 1.538 1.00 0.00 O ATOM 1419 CB MET A 88 -0.836 19.674 4.865 1.00 0.00 C ATOM 1420 CG MET A 88 -1.453 20.251 6.145 1.00 0.00 C ATOM 1421 SD MET A 88 -0.234 20.197 7.483 1.00 0.00 S ATOM 1422 CE MET A 88 1.195 20.747 6.521 1.00 0.00 C ATOM 0 H MET A 88 -2.586 18.025 5.364 1.00 0.00 H new ATOM 0 HA MET A 88 -2.578 20.217 3.707 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.265 18.775 5.098 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.139 20.391 4.431 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.776 21.278 5.974 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.339 19.680 6.423 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.985 21.074 7.197 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.560 19.923 5.909 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.902 21.576 5.877 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.645 17.812 2.498 1.00 0.00 N ATOM 1433 CA ARG A 89 -0.025 17.339 1.267 1.00 0.00 C ATOM 1434 C ARG A 89 -1.086 17.152 0.185 1.00 0.00 C ATOM 1435 O ARG A 89 -0.894 17.546 -0.966 1.00 0.00 O ATOM 1436 CB ARG A 89 0.703 16.015 1.521 1.00 0.00 C ATOM 1437 CG ARG A 89 1.834 16.234 2.534 1.00 0.00 C ATOM 1438 CD ARG A 89 2.945 17.073 1.894 1.00 0.00 C ATOM 1439 NE ARG A 89 4.070 17.212 2.813 1.00 0.00 N ATOM 1440 CZ ARG A 89 4.061 18.116 3.791 1.00 0.00 C ATOM 1441 NH1 ARG A 89 3.024 18.893 3.958 1.00 0.00 N ATOM 1442 NH2 ARG A 89 5.089 18.224 4.585 1.00 0.00 N ATOM 0 H ARG A 89 -0.518 17.199 3.303 1.00 0.00 H new ATOM 0 HA ARG A 89 0.698 18.081 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.003 15.270 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.108 15.627 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.449 16.738 3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.233 15.274 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.278 16.602 0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.559 18.058 1.629 1.00 0.00 H new ATOM 0 HE ARG A 89 4.881 16.603 2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.218 18.808 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 89 3.020 19.584 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.898 17.617 4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.084 18.916 5.335 1.00 0.00 H new ATOM 1456 N LEU A 90 -2.212 16.557 0.576 1.00 0.00 N ATOM 1457 CA LEU A 90 -3.316 16.324 -0.347 1.00 0.00 C ATOM 1458 C LEU A 90 -3.851 17.647 -0.885 1.00 0.00 C ATOM 1459 O LEU A 90 -4.176 17.763 -2.067 1.00 0.00 O ATOM 1460 CB LEU A 90 -4.435 15.568 0.379 1.00 0.00 C ATOM 1461 CG LEU A 90 -5.511 15.127 -0.622 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -6.167 13.834 -0.129 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -6.581 16.219 -0.741 1.00 0.00 C ATOM 0 H LEU A 90 -2.381 16.228 1.527 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.956 15.729 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.024 14.697 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.878 16.206 1.144 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.050 14.959 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.932 13.520 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.411 13.053 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.626 14.007 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.345 15.904 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.040 16.387 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.120 17.144 -1.089 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.946 18.638 -0.002 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.451 19.950 -0.386 1.00 0.00 C ATOM 1477 C ALA A 91 -3.649 20.509 -1.553 1.00 0.00 C ATOM 1478 O ALA A 91 -4.216 20.912 -2.562 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.370 20.910 0.804 1.00 0.00 C ATOM 0 H ALA A 91 -3.681 18.557 0.980 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.491 19.845 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.749 21.888 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.970 20.521 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.333 21.005 1.125 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.327 20.521 -1.405 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.439 21.021 -2.454 1.00 0.00 C ATOM 1487 C GLU A 92 -1.607 20.219 -3.744 1.00 0.00 C ATOM 1488 O GLU A 92 -1.414 20.746 -4.839 1.00 0.00 O ATOM 1489 CB GLU A 92 0.015 20.942 -1.980 1.00 0.00 C ATOM 1490 CG GLU A 92 0.934 21.624 -3.003 1.00 0.00 C ATOM 1491 CD GLU A 92 2.401 21.480 -2.594 1.00 0.00 C ATOM 1492 OE1 GLU A 92 2.664 20.844 -1.583 1.00 0.00 O ATOM 1493 OE2 GLU A 92 3.243 22.008 -3.300 1.00 0.00 O ATOM 0 H GLU A 92 -1.845 20.190 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.702 22.059 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.117 21.424 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.309 19.900 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.781 21.182 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.676 22.680 -3.084 1.00 0.00 H new ATOM 1500 N ASN A 93 -1.951 18.941 -3.605 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.123 18.070 -4.768 1.00 0.00 C ATOM 1502 C ASN A 93 -3.358 18.460 -5.581 1.00 0.00 C ATOM 1503 O ASN A 93 -3.357 18.347 -6.807 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.250 16.611 -4.316 1.00 0.00 C ATOM 1505 CG ASN A 93 -0.961 16.153 -3.634 1.00 0.00 C ATOM 1506 OD1 ASN A 93 0.054 16.969 -3.546 1.00 0.00 O flip ATOM 1507 ND2 ASN A 93 -0.879 15.016 -3.169 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.115 18.487 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.244 18.185 -5.402 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.090 16.508 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.461 15.974 -5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.672 14.378 -3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.018 14.712 -2.715 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.410 18.912 -4.898 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.642 19.304 -5.582 1.00 0.00 C ATOM 1516 C ILE A 94 -5.346 20.295 -6.716 1.00 0.00 C ATOM 1517 O ILE A 94 -5.699 20.045 -7.868 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.630 19.914 -4.575 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.334 18.783 -3.813 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -7.678 20.761 -5.308 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -7.946 19.333 -2.521 1.00 0.00 C ATOM 0 H ILE A 94 -4.435 19.015 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.092 18.415 -6.023 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.084 20.550 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.112 18.341 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.623 17.990 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.372 21.188 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.181 21.565 -5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.227 20.133 -6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.445 18.527 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.159 19.754 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.671 20.110 -2.764 1.00 0.00 H new ATOM 1533 N PRO A 95 -4.706 21.400 -6.420 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.357 22.431 -7.442 1.00 0.00 C ATOM 1535 C PRO A 95 -3.259 21.967 -8.401 1.00 0.00 C ATOM 1536 O PRO A 95 -3.164 22.462 -9.520 1.00 0.00 O ATOM 1537 CB PRO A 95 -3.877 23.622 -6.609 1.00 0.00 C ATOM 1538 CG PRO A 95 -3.398 23.037 -5.327 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.250 21.796 -5.079 1.00 0.00 C ATOM 0 HA PRO A 95 -5.207 22.661 -8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.078 24.161 -7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.685 24.334 -6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.341 22.777 -5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.504 23.751 -4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.671 21.003 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.091 22.015 -4.421 1.00 0.00 H new ATOM 1547 N SER A 96 -2.440 21.007 -7.961 1.00 0.00 N ATOM 1548 CA SER A 96 -1.365 20.481 -8.801 1.00 0.00 C ATOM 1549 C SER A 96 -1.978 19.851 -10.024 1.00 0.00 C ATOM 1550 O SER A 96 -1.502 20.001 -11.150 1.00 0.00 O ATOM 1551 CB SER A 96 -0.543 19.441 -8.037 1.00 0.00 C ATOM 1552 OG SER A 96 0.002 20.037 -6.869 1.00 0.00 O ATOM 0 H SER A 96 -2.501 20.583 -7.036 1.00 0.00 H new ATOM 0 HA SER A 96 -0.699 21.294 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.171 18.592 -7.766 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.257 19.057 -8.670 1.00 0.00 H new ATOM 0 HG SER A 96 -0.708 20.165 -6.206 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.059 19.152 -9.755 1.00 0.00 N ATOM 1559 CA ARG A 97 -3.821 18.469 -10.767 1.00 0.00 C ATOM 1560 C ARG A 97 -4.286 19.426 -11.864 1.00 0.00 C ATOM 1561 O ARG A 97 -4.342 19.052 -13.036 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.020 17.822 -10.086 1.00 0.00 C ATOM 1563 CG ARG A 97 -4.565 16.588 -9.298 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.782 15.865 -8.716 1.00 0.00 C ATOM 1565 NE ARG A 97 -6.557 16.772 -7.872 1.00 0.00 N ATOM 1566 CZ ARG A 97 -7.618 17.428 -8.340 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -8.004 17.267 -9.578 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -8.275 18.237 -7.557 1.00 0.00 N ATOM 0 H ARG A 97 -3.435 19.043 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.196 17.717 -11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.499 18.536 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.763 17.536 -10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.008 15.915 -9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.890 16.886 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.408 15.485 -9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.457 15.004 -8.133 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.279 16.906 -6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.492 16.635 -10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.817 17.773 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.976 18.366 -6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.088 18.741 -7.911 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.609 20.661 -11.481 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.056 21.656 -12.443 1.00 0.00 C ATOM 1584 C CYS A 98 -3.936 22.615 -12.757 1.00 0.00 C ATOM 1585 O CYS A 98 -4.053 23.431 -13.671 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.232 22.463 -11.896 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.061 21.529 -10.583 1.00 0.00 S ATOM 0 H CYS A 98 -4.568 20.991 -10.517 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.367 21.124 -13.342 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.880 23.419 -11.508 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.937 22.685 -12.697 1.00 0.00 H new ATOM 1592 N ASN A 99 -2.863 22.549 -11.975 1.00 0.00 N ATOM 1593 CA ASN A 99 -1.768 23.466 -12.186 1.00 0.00 C ATOM 1594 C ASN A 99 -1.272 23.405 -13.597 1.00 0.00 C ATOM 1595 O ASN A 99 -1.444 22.419 -14.317 1.00 0.00 O ATOM 1596 CB ASN A 99 -0.611 23.271 -11.237 1.00 0.00 C ATOM 1597 CG ASN A 99 -0.887 24.019 -9.938 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -0.591 23.522 -8.852 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -1.437 25.203 -9.993 1.00 0.00 N ATOM 0 H ASN A 99 -2.736 21.886 -11.211 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.184 24.452 -11.981 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.468 22.210 -11.034 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.311 23.636 -11.690 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.623 25.719 -9.133 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.681 25.611 -10.896 1.00 0.00 H new ATOM 1606 N LEU A 100 -0.743 24.530 -13.992 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.296 24.735 -15.344 1.00 0.00 C ATOM 1608 C LEU A 100 0.853 25.738 -15.374 1.00 0.00 C ATOM 1609 O LEU A 100 0.827 26.732 -14.651 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.506 25.270 -16.119 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.606 25.691 -15.106 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.331 27.107 -14.600 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -3.977 25.624 -15.762 1.00 0.00 C ATOM 0 H LEU A 100 -0.609 25.336 -13.382 1.00 0.00 H new ATOM 0 HA LEU A 100 0.075 23.811 -15.788 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.214 26.121 -16.734 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.889 24.505 -16.795 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.591 25.004 -14.260 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.106 27.397 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.359 27.135 -14.108 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.332 27.800 -15.441 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.740 25.921 -15.042 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.004 26.298 -16.618 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.171 24.605 -16.096 1.00 0.00 H new ATOM 1625 N SER A 101 1.857 25.457 -16.208 1.00 0.00 N ATOM 1626 CA SER A 101 3.033 26.323 -16.333 1.00 0.00 C ATOM 1627 C SER A 101 2.656 27.792 -16.145 1.00 0.00 C ATOM 1628 O SER A 101 2.207 28.456 -17.080 1.00 0.00 O ATOM 1629 CB SER A 101 3.670 26.131 -17.711 1.00 0.00 C ATOM 1630 OG SER A 101 4.824 26.955 -17.815 1.00 0.00 O ATOM 0 H SER A 101 1.879 24.633 -16.809 1.00 0.00 H new ATOM 0 HA SER A 101 3.744 26.048 -15.555 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.942 25.085 -17.856 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.955 26.386 -18.493 1.00 0.00 H new ATOM 0 HG SER A 101 5.235 26.833 -18.696 1.00 0.00 H new ATOM 1636 N PRO A 102 2.827 28.301 -14.950 1.00 0.00 N ATOM 1637 CA PRO A 102 2.504 29.709 -14.604 1.00 0.00 C ATOM 1638 C PRO A 102 3.631 30.661 -14.992 1.00 0.00 C ATOM 1639 O PRO A 102 4.749 30.549 -14.485 1.00 0.00 O ATOM 1640 CB PRO A 102 2.306 29.669 -13.075 1.00 0.00 C ATOM 1641 CG PRO A 102 2.554 28.247 -12.655 1.00 0.00 C ATOM 1642 CD PRO A 102 3.341 27.595 -13.780 1.00 0.00 C ATOM 0 HA PRO A 102 1.628 30.079 -15.137 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.997 30.348 -12.575 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.298 29.984 -12.805 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.112 28.211 -11.720 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.613 27.723 -12.485 1.00 0.00 H new ATOM 0 HD2 PRO A 102 4.416 27.731 -13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 102 3.160 26.522 -13.837 1.00 0.00 H new ATOM 1650 N MET A 103 3.335 31.593 -15.894 1.00 0.00 N ATOM 1651 CA MET A 103 4.340 32.550 -16.338 1.00 0.00 C ATOM 1652 C MET A 103 4.708 33.503 -15.206 1.00 0.00 C ATOM 1653 O MET A 103 5.874 33.595 -14.817 1.00 0.00 O ATOM 1654 CB MET A 103 3.807 33.351 -17.531 1.00 0.00 C ATOM 1655 CG MET A 103 3.538 32.409 -18.710 1.00 0.00 C ATOM 1656 SD MET A 103 5.045 31.492 -19.120 1.00 0.00 S ATOM 1657 CE MET A 103 6.061 32.909 -19.607 1.00 0.00 C ATOM 0 H MET A 103 2.418 31.704 -16.327 1.00 0.00 H new ATOM 0 HA MET A 103 5.232 32.000 -16.639 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.890 33.870 -17.252 1.00 0.00 H new ATOM 0 HB3 MET A 103 4.530 34.114 -17.821 1.00 0.00 H new ATOM 0 HG2 MET A 103 2.737 31.715 -18.457 1.00 0.00 H new ATOM 0 HG3 MET A 103 3.203 32.981 -19.575 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.829 32.582 -20.308 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.432 33.661 -20.083 1.00 0.00 H new ATOM 0 HE3 MET A 103 6.535 33.338 -18.724 1.00 0.00 H new ATOM 1667 N ARG A 104 3.707 34.203 -14.675 1.00 0.00 N ATOM 1668 CA ARG A 104 3.939 35.138 -13.578 1.00 0.00 C ATOM 1669 C ARG A 104 2.701 35.267 -12.692 1.00 0.00 C ATOM 1670 O ARG A 104 1.576 35.324 -13.188 1.00 0.00 O ATOM 1671 CB ARG A 104 4.306 36.518 -14.140 1.00 0.00 C ATOM 1672 CG ARG A 104 5.820 36.744 -14.030 1.00 0.00 C ATOM 1673 CD ARG A 104 6.239 36.789 -12.555 1.00 0.00 C ATOM 1674 NE ARG A 104 5.193 37.404 -11.741 1.00 0.00 N ATOM 1675 CZ ARG A 104 5.005 38.722 -11.724 1.00 0.00 C ATOM 1676 NH1 ARG A 104 5.768 39.504 -12.440 1.00 0.00 N ATOM 1677 NH2 ARG A 104 4.058 39.233 -10.989 1.00 0.00 N ATOM 0 H ARG A 104 2.737 34.141 -14.984 1.00 0.00 H new ATOM 0 HA ARG A 104 4.760 34.752 -12.973 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.994 36.590 -15.182 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.773 37.296 -13.593 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.353 35.944 -14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.093 37.677 -14.523 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.439 35.779 -12.197 1.00 0.00 H new ATOM 0 HD3 ARG A 104 7.166 37.353 -12.452 1.00 0.00 H new ATOM 0 HE ARG A 104 4.592 36.809 -11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.511 39.105 -13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.621 40.513 -12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.463 38.624 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.912 40.242 -10.974 1.00 0.00 H new ATOM 1691 N CYS A 105 2.926 35.344 -11.381 1.00 0.00 N ATOM 1692 CA CYS A 105 1.832 35.504 -10.427 1.00 0.00 C ATOM 1693 C CYS A 105 1.838 36.928 -9.869 1.00 0.00 C ATOM 1694 O CYS A 105 2.747 37.300 -9.127 1.00 0.00 O ATOM 1695 CB CYS A 105 1.971 34.500 -9.280 1.00 0.00 C ATOM 1696 SG CYS A 105 1.512 32.846 -9.860 1.00 0.00 S ATOM 0 H CYS A 105 3.853 35.298 -10.957 1.00 0.00 H new ATOM 0 HA CYS A 105 0.889 35.319 -10.942 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.996 34.495 -8.910 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.333 34.794 -8.447 1.00 0.00 H new ATOM 1701 N PRO A 106 0.855 37.728 -10.211 1.00 0.00 N ATOM 1702 CA PRO A 106 0.758 39.141 -9.726 1.00 0.00 C ATOM 1703 C PRO A 106 0.705 39.255 -8.208 1.00 0.00 C ATOM 1704 O PRO A 106 0.528 40.345 -7.667 1.00 0.00 O ATOM 1705 CB PRO A 106 -0.535 39.674 -10.344 1.00 0.00 C ATOM 1706 CG PRO A 106 -0.884 38.734 -11.451 1.00 0.00 C ATOM 1707 CD PRO A 106 -0.263 37.381 -11.100 1.00 0.00 C ATOM 0 HA PRO A 106 1.643 39.706 -10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.333 39.716 -9.602 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.397 40.687 -10.722 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.965 38.646 -11.556 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.500 39.100 -12.403 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.981 36.728 -10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.082 36.856 -11.991 1.00 0.00 H new ATOM 1715 N MET A 107 0.859 38.132 -7.530 1.00 0.00 N ATOM 1716 CA MET A 107 0.827 38.119 -6.079 1.00 0.00 C ATOM 1717 C MET A 107 2.134 38.641 -5.528 1.00 0.00 C ATOM 1718 O MET A 107 3.083 37.888 -5.301 1.00 0.00 O ATOM 1719 CB MET A 107 0.635 36.701 -5.604 1.00 0.00 C ATOM 1720 CG MET A 107 -0.840 36.296 -5.713 1.00 0.00 C ATOM 1721 SD MET A 107 -1.781 37.585 -6.574 1.00 0.00 S ATOM 1722 CE MET A 107 -1.804 36.811 -8.208 1.00 0.00 C ATOM 0 H MET A 107 1.007 37.219 -7.960 1.00 0.00 H new ATOM 0 HA MET A 107 0.008 38.751 -5.734 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.249 36.025 -6.199 1.00 0.00 H new ATOM 0 HB3 MET A 107 0.969 36.609 -4.570 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.927 35.352 -6.251 1.00 0.00 H new ATOM 0 HG3 MET A 107 -1.255 36.136 -4.718 1.00 0.00 H new ATOM 0 HE1 MET A 107 -1.942 37.577 -8.971 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.860 36.294 -8.379 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.624 36.095 -8.260 1.00 0.00 H new