USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 640 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 44 MET CE :methyl -173:sc= 0 (180deg=-0.0606) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-8.15e-05 X(o=-8.1e-05,f=-0.056) USER MOD Single : A 3 MET CE :methyl 167:sc= 0 (180deg=-0.148) USER MOD Single : A 4 ASN : amide:sc= -0.222 K(o=-0.22,f=-2.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 47:sc= 0.0114 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.46 F(o=-1.3,f=-0.46) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -55:sc= 1.25 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.598 K(o=-0.6,f=-6.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -92:sc= 0.0746 USER MOD Single : A 65 SER OG : rot -26:sc= 0.00519 USER MOD Single : A 66 SER OG : rot 170:sc= 0.251 USER MOD Single : A 74 THR OG1 : rot 41:sc= 1.2 USER MOD Single : A 76 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.3!) USER MOD Single : A 86 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : A 88 SER OG : rot -34:sc= 1.06 USER MOD Single : A 89 GLN : amide:sc= -0.0872 X(o=-0.087,f=-0.086) USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0049) USER MOD Single : A 93 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.425 13.507 -11.799 1.00 23.45 N ATOM 2 CA GLY A 1 -14.096 14.859 -11.322 1.00 34.42 C ATOM 3 C GLY A 1 -12.594 15.098 -11.315 1.00 65.32 C ATOM 4 O GLY A 1 -11.992 15.172 -12.386 1.00 63.50 O ATOM 0 H1 GLY A 1 -15.457 13.378 -11.791 1.00 23.45 H new ATOM 0 H2 GLY A 1 -14.068 13.384 -12.768 1.00 23.45 H new ATOM 0 H3 GLY A 1 -13.983 12.802 -11.175 1.00 23.45 H new ATOM 0 HA2 GLY A 1 -14.580 15.599 -11.960 1.00 34.42 H new ATOM 0 HA3 GLY A 1 -14.492 14.997 -10.316 1.00 34.42 H new ATOM 8 N HIS A 2 -11.998 15.198 -10.122 1.00 1.22 N ATOM 9 CA HIS A 2 -10.576 15.422 -9.858 1.00 13.42 C ATOM 10 C HIS A 2 -10.014 16.718 -10.467 1.00 13.24 C ATOM 11 O HIS A 2 -9.172 16.713 -11.369 1.00 64.33 O ATOM 12 CB HIS A 2 -9.759 14.150 -10.148 1.00 1.35 C ATOM 13 CG HIS A 2 -10.123 13.031 -9.208 1.00 13.32 C ATOM 14 ND1 HIS A 2 -10.103 13.099 -7.831 1.00 71.14 N ATOM 15 CD2 HIS A 2 -10.668 11.829 -9.563 1.00 45.24 C ATOM 16 CE1 HIS A 2 -10.683 11.983 -7.362 1.00 14.45 C ATOM 17 NE2 HIS A 2 -11.065 11.189 -8.381 1.00 45.40 N ATOM 0 H HIS A 2 -12.534 15.119 -9.258 1.00 1.22 H new ATOM 0 HA HIS A 2 -10.471 15.613 -8.790 1.00 13.42 H new ATOM 0 HB2 HIS A 2 -9.932 13.833 -11.176 1.00 1.35 H new ATOM 0 HB3 HIS A 2 -8.696 14.371 -10.057 1.00 1.35 H new ATOM 0 HD2 HIS A 2 -10.773 11.444 -10.567 1.00 45.24 H new ATOM 0 HE1 HIS A 2 -10.823 11.754 -6.316 1.00 14.45 H new ATOM 0 HE2 HIS A 2 -11.550 10.295 -8.307 1.00 45.40 H new ATOM 24 N MET A 3 -10.423 17.848 -9.889 1.00 63.54 N ATOM 25 CA MET A 3 -9.831 19.162 -10.122 1.00 31.14 C ATOM 26 C MET A 3 -8.523 19.316 -9.329 1.00 43.45 C ATOM 27 O MET A 3 -8.467 18.917 -8.165 1.00 63.53 O ATOM 28 CB MET A 3 -10.825 20.237 -9.641 1.00 31.30 C ATOM 29 CG MET A 3 -10.724 21.520 -10.469 1.00 3.20 C ATOM 30 SD MET A 3 -11.683 21.500 -12.010 1.00 42.14 S ATOM 31 CE MET A 3 -13.361 21.654 -11.343 1.00 3.03 C ATOM 0 H MET A 3 -11.198 17.873 -9.227 1.00 63.54 H new ATOM 0 HA MET A 3 -9.616 19.272 -11.185 1.00 31.14 H new ATOM 0 HB2 MET A 3 -11.840 19.845 -9.701 1.00 31.30 H new ATOM 0 HB3 MET A 3 -10.633 20.466 -8.593 1.00 31.30 H new ATOM 0 HG2 MET A 3 -11.059 22.359 -9.858 1.00 3.20 H new ATOM 0 HG3 MET A 3 -9.676 21.700 -10.710 1.00 3.20 H new ATOM 0 HE1 MET A 3 -14.054 21.889 -12.151 1.00 3.03 H new ATOM 0 HE2 MET A 3 -13.654 20.714 -10.875 1.00 3.03 H new ATOM 0 HE3 MET A 3 -13.386 22.452 -10.601 1.00 3.03 H new ATOM 39 N ASN A 4 -7.539 20.028 -9.885 1.00 23.43 N ATOM 40 CA ASN A 4 -6.370 20.577 -9.189 1.00 21.34 C ATOM 41 C ASN A 4 -5.552 19.513 -8.427 1.00 10.32 C ATOM 42 O ASN A 4 -5.637 18.331 -8.765 1.00 3.53 O ATOM 43 CB ASN A 4 -6.817 21.788 -8.334 1.00 42.51 C ATOM 44 CG ASN A 4 -5.820 22.936 -8.348 1.00 73.03 C ATOM 45 OD1 ASN A 4 -4.822 22.912 -9.065 1.00 10.31 O ATOM 46 ND2 ASN A 4 -6.085 23.993 -7.607 1.00 74.03 N ATOM 0 H ASN A 4 -7.535 20.248 -10.881 1.00 23.43 H new ATOM 0 HA ASN A 4 -5.654 20.940 -9.926 1.00 21.34 H new ATOM 0 HB2 ASN A 4 -7.779 22.147 -8.700 1.00 42.51 H new ATOM 0 HB3 ASN A 4 -6.969 21.461 -7.305 1.00 42.51 H new ATOM 0 HD21 ASN A 4 -5.460 24.799 -7.626 1.00 74.03 H new ATOM 0 HD22 ASN A 4 -6.915 24.005 -7.015 1.00 74.03 H new ATOM 52 N LEU A 5 -4.705 19.893 -7.463 1.00 13.32 N ATOM 53 CA LEU A 5 -3.967 18.996 -6.551 1.00 62.21 C ATOM 54 C LEU A 5 -3.911 19.697 -5.180 1.00 45.34 C ATOM 55 O LEU A 5 -4.010 20.924 -5.129 1.00 22.44 O ATOM 56 CB LEU A 5 -2.556 18.723 -7.144 1.00 31.14 C ATOM 57 CG LEU A 5 -1.768 17.431 -6.788 1.00 12.51 C ATOM 58 CD1 LEU A 5 -1.193 17.349 -5.380 1.00 31.44 C ATOM 59 CD2 LEU A 5 -2.543 16.134 -7.025 1.00 42.55 C ATOM 0 H LEU A 5 -4.503 20.877 -7.285 1.00 13.32 H new ATOM 0 HA LEU A 5 -4.452 18.027 -6.432 1.00 62.21 H new ATOM 0 HB2 LEU A 5 -2.657 18.745 -8.229 1.00 31.14 H new ATOM 0 HB3 LEU A 5 -1.925 19.567 -6.866 1.00 31.14 H new ATOM 0 HG LEU A 5 -0.940 17.523 -7.491 1.00 12.51 H new ATOM 0 HD11 LEU A 5 -0.667 16.402 -5.256 1.00 31.44 H new ATOM 0 HD12 LEU A 5 -0.497 18.173 -5.222 1.00 31.44 H new ATOM 0 HD13 LEU A 5 -2.002 17.413 -4.652 1.00 31.44 H new ATOM 0 HD21 LEU A 5 -1.920 15.283 -6.751 1.00 42.55 H new ATOM 0 HD22 LEU A 5 -3.447 16.133 -6.415 1.00 42.55 H new ATOM 0 HD23 LEU A 5 -2.816 16.060 -8.078 1.00 42.55 H new ATOM 70 N THR A 6 -3.737 18.981 -4.073 1.00 42.32 N ATOM 71 CA THR A 6 -3.689 19.498 -2.697 1.00 23.11 C ATOM 72 C THR A 6 -2.281 19.297 -2.123 1.00 51.25 C ATOM 73 O THR A 6 -1.515 18.519 -2.690 1.00 34.10 O ATOM 74 CB THR A 6 -4.749 18.777 -1.844 1.00 23.43 C ATOM 75 OG1 THR A 6 -4.564 17.381 -1.933 1.00 73.45 O ATOM 76 CG2 THR A 6 -6.166 19.122 -2.295 1.00 12.01 C ATOM 0 H THR A 6 -3.619 17.968 -4.107 1.00 42.32 H new ATOM 0 HA THR A 6 -3.910 20.565 -2.689 1.00 23.11 H new ATOM 0 HB THR A 6 -4.626 19.110 -0.813 1.00 23.43 H new ATOM 0 HG1 THR A 6 -5.239 16.926 -1.388 1.00 73.45 H new ATOM 0 HG21 THR A 6 -6.886 18.594 -1.669 1.00 12.01 H new ATOM 0 HG22 THR A 6 -6.325 20.196 -2.204 1.00 12.01 H new ATOM 0 HG23 THR A 6 -6.300 18.822 -3.334 1.00 12.01 H new ATOM 84 N PRO A 7 -1.888 19.911 -0.994 1.00 4.31 N ATOM 85 CA PRO A 7 -0.646 19.528 -0.324 1.00 31.23 C ATOM 86 C PRO A 7 -0.625 18.052 0.114 1.00 32.02 C ATOM 87 O PRO A 7 0.430 17.526 0.465 1.00 25.13 O ATOM 88 CB PRO A 7 -0.513 20.472 0.870 1.00 44.32 C ATOM 89 CG PRO A 7 -1.935 20.953 1.139 1.00 71.24 C ATOM 90 CD PRO A 7 -2.596 20.927 -0.232 1.00 52.31 C ATOM 0 HA PRO A 7 0.197 19.617 -1.009 1.00 31.23 H new ATOM 0 HB2 PRO A 7 -0.097 19.959 1.737 1.00 44.32 H new ATOM 0 HB3 PRO A 7 0.152 21.306 0.644 1.00 44.32 H new ATOM 0 HG2 PRO A 7 -2.451 20.301 1.844 1.00 71.24 H new ATOM 0 HG3 PRO A 7 -1.943 21.955 1.568 1.00 71.24 H new ATOM 0 HD2 PRO A 7 -3.656 20.687 -0.150 1.00 52.31 H new ATOM 0 HD3 PRO A 7 -2.526 21.900 -0.718 1.00 52.31 H new ATOM 95 N GLU A 8 -1.742 17.329 0.030 1.00 12.33 N ATOM 96 CA GLU A 8 -1.923 16.006 0.608 1.00 14.20 C ATOM 97 C GLU A 8 -2.109 14.888 -0.427 1.00 11.12 C ATOM 98 O GLU A 8 -1.821 13.739 -0.101 1.00 22.20 O ATOM 99 CB GLU A 8 -3.193 16.068 1.442 1.00 33.34 C ATOM 100 CG GLU A 8 -3.199 17.068 2.615 1.00 1.20 C ATOM 101 CD GLU A 8 -4.620 17.533 2.958 1.00 72.15 C ATOM 102 OE1 GLU A 8 -5.610 16.920 2.484 1.00 21.52 O ATOM 103 OE2 GLU A 8 -4.760 18.604 3.589 1.00 45.31 O ATOM 0 H GLU A 8 -2.572 17.664 -0.460 1.00 12.33 H new ATOM 0 HA GLU A 8 -1.023 15.766 1.174 1.00 14.20 H new ATOM 0 HB2 GLU A 8 -4.024 16.314 0.780 1.00 33.34 H new ATOM 0 HB3 GLU A 8 -3.387 15.073 1.842 1.00 33.34 H new ATOM 0 HG2 GLU A 8 -2.747 16.603 3.491 1.00 1.20 H new ATOM 0 HG3 GLU A 8 -2.585 17.932 2.360 1.00 1.20 H new ATOM 108 N GLU A 9 -2.599 15.167 -1.642 1.00 51.32 N ATOM 109 CA GLU A 9 -2.927 14.108 -2.606 1.00 22.20 C ATOM 110 C GLU A 9 -1.692 13.309 -3.059 1.00 23.21 C ATOM 111 O GLU A 9 -1.849 12.165 -3.480 1.00 34.30 O ATOM 112 CB GLU A 9 -3.728 14.671 -3.806 1.00 50.24 C ATOM 113 CG GLU A 9 -5.234 14.413 -3.620 1.00 62.35 C ATOM 114 CD GLU A 9 -6.157 14.953 -4.726 1.00 63.24 C ATOM 115 OE1 GLU A 9 -5.814 14.919 -5.932 1.00 3.32 O ATOM 116 OE2 GLU A 9 -7.293 15.368 -4.386 1.00 42.02 O ATOM 0 H GLU A 9 -2.777 16.113 -1.980 1.00 51.32 H new ATOM 0 HA GLU A 9 -3.568 13.396 -2.086 1.00 22.20 H new ATOM 0 HB2 GLU A 9 -3.546 15.741 -3.902 1.00 50.24 H new ATOM 0 HB3 GLU A 9 -3.385 14.205 -4.730 1.00 50.24 H new ATOM 0 HG2 GLU A 9 -5.390 13.337 -3.539 1.00 62.35 H new ATOM 0 HG3 GLU A 9 -5.542 14.853 -2.671 1.00 62.35 H new ATOM 121 N ARG A 10 -0.471 13.852 -2.937 1.00 10.42 N ATOM 122 CA ARG A 10 0.768 13.101 -3.175 1.00 10.10 C ATOM 123 C ARG A 10 1.035 12.070 -2.074 1.00 14.52 C ATOM 124 O ARG A 10 1.761 11.104 -2.311 1.00 1.40 O ATOM 125 CB ARG A 10 1.977 14.041 -3.232 1.00 31.33 C ATOM 126 CG ARG A 10 1.971 14.918 -4.489 1.00 4.40 C ATOM 127 CD ARG A 10 2.493 16.333 -4.204 1.00 70.22 C ATOM 128 NE ARG A 10 3.801 16.591 -4.798 1.00 1.24 N ATOM 129 CZ ARG A 10 4.990 16.236 -4.317 1.00 61.34 C ATOM 130 NH1 ARG A 10 5.118 15.476 -3.233 1.00 53.55 N ATOM 131 NH2 ARG A 10 6.068 16.675 -4.953 1.00 41.12 N ATOM 0 H ARG A 10 -0.316 14.824 -2.670 1.00 10.42 H new ATOM 0 HA ARG A 10 0.633 12.590 -4.128 1.00 10.10 H new ATOM 0 HB2 ARG A 10 1.982 14.678 -2.347 1.00 31.33 H new ATOM 0 HB3 ARG A 10 2.894 13.452 -3.206 1.00 31.33 H new ATOM 0 HG2 ARG A 10 2.586 14.453 -5.259 1.00 4.40 H new ATOM 0 HG3 ARG A 10 0.957 14.978 -4.884 1.00 4.40 H new ATOM 0 HD2 ARG A 10 1.777 17.061 -4.585 1.00 70.22 H new ATOM 0 HD3 ARG A 10 2.555 16.481 -3.126 1.00 70.22 H new ATOM 0 HE ARG A 10 3.804 17.101 -5.681 1.00 1.24 H new ATOM 0 HH11 ARG A 10 4.288 15.145 -2.741 1.00 53.55 H new ATOM 0 HH12 ARG A 10 6.046 15.224 -2.894 1.00 53.55 H new ATOM 0 HH21 ARG A 10 5.968 17.263 -5.780 1.00 41.12 H new ATOM 0 HH22 ARG A 10 6.997 16.424 -4.615 1.00 41.12 H new ATOM 142 N ASP A 11 0.484 12.280 -0.877 1.00 13.12 N ATOM 143 CA ASP A 11 0.661 11.401 0.279 1.00 51.34 C ATOM 144 C ASP A 11 -0.428 10.333 0.297 1.00 72.21 C ATOM 145 O ASP A 11 -0.166 9.169 0.611 1.00 64.32 O ATOM 146 CB ASP A 11 0.642 12.213 1.581 1.00 23.04 C ATOM 147 CG ASP A 11 1.336 11.451 2.713 1.00 1.41 C ATOM 148 OD1 ASP A 11 2.583 11.559 2.793 1.00 62.03 O ATOM 149 OD2 ASP A 11 0.656 10.773 3.519 1.00 63.02 O ATOM 0 H ASP A 11 -0.111 13.085 -0.681 1.00 13.12 H new ATOM 0 HA ASP A 11 1.630 10.909 0.199 1.00 51.34 H new ATOM 0 HB2 ASP A 11 1.139 13.170 1.424 1.00 23.04 H new ATOM 0 HB3 ASP A 11 -0.388 12.431 1.863 1.00 23.04 H new ATOM 153 N ALA A 12 -1.641 10.715 -0.121 1.00 42.23 N ATOM 154 CA ALA A 12 -2.775 9.815 -0.318 1.00 71.02 C ATOM 155 C ALA A 12 -2.472 8.716 -1.345 1.00 3.24 C ATOM 156 O ALA A 12 -3.120 7.676 -1.332 1.00 62.35 O ATOM 157 CB ALA A 12 -3.989 10.631 -0.779 1.00 33.31 C ATOM 0 H ALA A 12 -1.863 11.687 -0.337 1.00 42.23 H new ATOM 0 HA ALA A 12 -2.982 9.323 0.633 1.00 71.02 H new ATOM 0 HB1 ALA A 12 -4.839 9.966 -0.928 1.00 33.31 H new ATOM 0 HB2 ALA A 12 -4.238 11.373 -0.021 1.00 33.31 H new ATOM 0 HB3 ALA A 12 -3.754 11.135 -1.717 1.00 33.31 H new ATOM 163 N ARG A 13 -1.482 8.924 -2.224 1.00 12.22 N ATOM 164 CA ARG A 13 -1.060 7.948 -3.227 1.00 61.02 C ATOM 165 C ARG A 13 -0.723 6.592 -2.618 1.00 52.24 C ATOM 166 O ARG A 13 -0.826 5.574 -3.309 1.00 44.51 O ATOM 167 CB ARG A 13 0.198 8.437 -3.948 1.00 5.13 C ATOM 168 CG ARG A 13 0.013 9.723 -4.752 1.00 1.21 C ATOM 169 CD ARG A 13 1.274 9.902 -5.595 1.00 61.24 C ATOM 170 NE ARG A 13 1.344 11.179 -6.314 1.00 10.52 N ATOM 171 CZ ARG A 13 2.454 11.602 -6.932 1.00 10.10 C ATOM 172 NH1 ARG A 13 3.560 10.860 -6.934 1.00 10.53 N ATOM 173 NH2 ARG A 13 2.454 12.779 -7.540 1.00 73.03 N ATOM 0 H ARG A 13 -0.946 9.791 -2.255 1.00 12.22 H new ATOM 0 HA ARG A 13 -1.901 7.839 -3.912 1.00 61.02 H new ATOM 0 HB2 ARG A 13 0.985 8.596 -3.210 1.00 5.13 H new ATOM 0 HB3 ARG A 13 0.544 7.651 -4.619 1.00 5.13 H new ATOM 0 HG2 ARG A 13 -0.870 9.658 -5.387 1.00 1.21 H new ATOM 0 HG3 ARG A 13 -0.133 10.576 -4.089 1.00 1.21 H new ATOM 0 HD2 ARG A 13 2.146 9.816 -4.946 1.00 61.24 H new ATOM 0 HD3 ARG A 13 1.332 9.088 -6.318 1.00 61.24 H new ATOM 0 HE ARG A 13 0.513 11.769 -6.344 1.00 10.52 H new ATOM 0 HH11 ARG A 13 3.569 9.957 -6.461 1.00 10.53 H new ATOM 0 HH12 ARG A 13 4.398 11.195 -7.409 1.00 10.53 H new ATOM 0 HH21 ARG A 13 1.613 13.356 -7.535 1.00 73.03 H new ATOM 0 HH22 ARG A 13 3.295 13.109 -8.013 1.00 73.03 H new ATOM 184 N THR A 14 -0.187 6.571 -1.403 1.00 14.51 N ATOM 185 CA THR A 14 0.347 5.364 -0.810 1.00 14.41 C ATOM 186 C THR A 14 -0.785 4.406 -0.450 1.00 1.31 C ATOM 187 O THR A 14 -1.879 4.810 -0.067 1.00 53.41 O ATOM 188 CB THR A 14 1.166 5.792 0.422 1.00 51.44 C ATOM 189 OG1 THR A 14 2.248 6.616 0.019 1.00 11.31 O ATOM 190 CG2 THR A 14 1.746 4.631 1.225 1.00 12.21 C ATOM 0 H THR A 14 -0.113 7.395 -0.806 1.00 14.51 H new ATOM 0 HA THR A 14 0.991 4.826 -1.506 1.00 14.41 H new ATOM 0 HB THR A 14 0.462 6.320 1.065 1.00 51.44 H new ATOM 0 HG1 THR A 14 2.764 6.887 0.807 1.00 11.31 H new ATOM 0 HG21 THR A 14 2.307 5.021 2.074 1.00 12.21 H new ATOM 0 HG22 THR A 14 0.936 3.997 1.586 1.00 12.21 H new ATOM 0 HG23 THR A 14 2.410 4.045 0.589 1.00 12.21 H new ATOM 198 N VAL A 15 -0.496 3.109 -0.508 1.00 1.24 N ATOM 199 CA VAL A 15 -1.462 2.058 -0.235 1.00 5.33 C ATOM 200 C VAL A 15 -0.952 1.226 0.940 1.00 21.23 C ATOM 201 O VAL A 15 0.121 0.617 0.900 1.00 65.01 O ATOM 202 CB VAL A 15 -1.807 1.279 -1.520 1.00 14.34 C ATOM 203 CG1 VAL A 15 -2.863 2.068 -2.313 1.00 32.22 C ATOM 204 CG2 VAL A 15 -0.599 1.051 -2.445 1.00 21.25 C ATOM 0 H VAL A 15 0.430 2.757 -0.750 1.00 1.24 H new ATOM 0 HA VAL A 15 -2.424 2.464 0.078 1.00 5.33 H new ATOM 0 HB VAL A 15 -2.169 0.302 -1.202 1.00 14.34 H new ATOM 0 HG11 VAL A 15 -3.114 1.525 -3.224 1.00 32.22 H new ATOM 0 HG12 VAL A 15 -3.759 2.190 -1.704 1.00 32.22 H new ATOM 0 HG13 VAL A 15 -2.465 3.049 -2.573 1.00 32.22 H new ATOM 0 HG21 VAL A 15 -0.917 0.497 -3.328 1.00 21.25 H new ATOM 0 HG22 VAL A 15 -0.187 2.013 -2.749 1.00 21.25 H new ATOM 0 HG23 VAL A 15 0.163 0.481 -1.914 1.00 21.25 H new ATOM 214 N PHE A 16 -1.709 1.297 2.038 1.00 61.44 N ATOM 215 CA PHE A 16 -1.419 0.618 3.288 1.00 73.21 C ATOM 216 C PHE A 16 -1.944 -0.806 3.206 1.00 30.10 C ATOM 217 O PHE A 16 -3.147 -1.056 3.288 1.00 21.11 O ATOM 218 CB PHE A 16 -2.008 1.353 4.497 1.00 3.12 C ATOM 219 CG PHE A 16 -1.820 0.627 5.822 1.00 64.12 C ATOM 220 CD1 PHE A 16 -0.602 -0.016 6.125 1.00 3.42 C ATOM 221 CD2 PHE A 16 -2.868 0.586 6.760 1.00 21.30 C ATOM 222 CE1 PHE A 16 -0.439 -0.715 7.329 1.00 11.02 C ATOM 223 CE2 PHE A 16 -2.699 -0.094 7.980 1.00 12.21 C ATOM 224 CZ PHE A 16 -1.487 -0.750 8.261 1.00 70.54 C ATOM 0 H PHE A 16 -2.566 1.848 2.075 1.00 61.44 H new ATOM 0 HA PHE A 16 -0.339 0.606 3.435 1.00 73.21 H new ATOM 0 HB2 PHE A 16 -1.549 2.339 4.568 1.00 3.12 H new ATOM 0 HB3 PHE A 16 -3.074 1.509 4.329 1.00 3.12 H new ATOM 0 HD1 PHE A 16 0.215 0.031 5.421 1.00 3.42 H new ATOM 0 HD2 PHE A 16 -3.805 1.078 6.543 1.00 21.30 H new ATOM 0 HE1 PHE A 16 0.490 -1.225 7.538 1.00 11.02 H new ATOM 0 HE2 PHE A 16 -3.502 -0.112 8.702 1.00 12.21 H new ATOM 0 HZ PHE A 16 -1.363 -1.280 9.194 1.00 70.54 H new ATOM 233 N CYS A 17 -1.022 -1.739 3.032 1.00 1.34 N ATOM 234 CA CYS A 17 -1.286 -3.158 3.012 1.00 45.22 C ATOM 235 C CYS A 17 -1.100 -3.672 4.442 1.00 24.20 C ATOM 236 O CYS A 17 -0.021 -3.515 5.008 1.00 51.13 O ATOM 237 CB CYS A 17 -0.312 -3.830 2.042 1.00 4.42 C ATOM 238 SG CYS A 17 -0.233 -2.953 0.449 1.00 30.14 S ATOM 0 H CYS A 17 -0.036 -1.515 2.897 1.00 1.34 H new ATOM 0 HA CYS A 17 -2.298 -3.382 2.674 1.00 45.22 H new ATOM 0 HB2 CYS A 17 0.682 -3.863 2.489 1.00 4.42 H new ATOM 0 HB3 CYS A 17 -0.620 -4.862 1.874 1.00 4.42 H new ATOM 0 HG CYS A 17 -0.108 -1.677 0.662 1.00 30.14 H new ATOM 243 N MET A 18 -2.140 -4.267 5.032 1.00 72.12 N ATOM 244 CA MET A 18 -2.176 -4.657 6.449 1.00 71.54 C ATOM 245 C MET A 18 -2.521 -6.153 6.615 1.00 41.02 C ATOM 246 O MET A 18 -2.983 -6.572 7.672 1.00 44.22 O ATOM 247 CB MET A 18 -3.144 -3.712 7.190 1.00 62.22 C ATOM 248 CG MET A 18 -3.143 -3.822 8.728 1.00 10.30 C ATOM 249 SD MET A 18 -4.747 -4.201 9.499 1.00 1.11 S ATOM 250 CE MET A 18 -5.653 -2.665 9.157 1.00 41.04 C ATOM 0 H MET A 18 -2.998 -4.497 4.531 1.00 72.12 H new ATOM 0 HA MET A 18 -1.189 -4.549 6.898 1.00 71.54 H new ATOM 0 HB2 MET A 18 -2.899 -2.685 6.918 1.00 62.22 H new ATOM 0 HB3 MET A 18 -4.155 -3.904 6.831 1.00 62.22 H new ATOM 0 HG2 MET A 18 -2.431 -4.595 9.017 1.00 10.30 H new ATOM 0 HG3 MET A 18 -2.777 -2.882 9.140 1.00 10.30 H new ATOM 0 HE1 MET A 18 -6.660 -2.737 9.568 1.00 41.04 H new ATOM 0 HE2 MET A 18 -5.133 -1.825 9.618 1.00 41.04 H new ATOM 0 HE3 MET A 18 -5.711 -2.509 8.080 1.00 41.04 H new ATOM 258 N GLN A 19 -2.366 -6.971 5.567 1.00 24.52 N ATOM 259 CA GLN A 19 -2.851 -8.355 5.522 1.00 33.34 C ATOM 260 C GLN A 19 -1.782 -9.316 4.969 1.00 21.12 C ATOM 261 O GLN A 19 -2.119 -10.370 4.423 1.00 74.35 O ATOM 262 CB GLN A 19 -4.187 -8.379 4.743 1.00 70.25 C ATOM 263 CG GLN A 19 -5.227 -9.354 5.332 1.00 44.25 C ATOM 264 CD GLN A 19 -6.615 -9.286 4.680 1.00 12.21 C ATOM 265 OE1 GLN A 19 -6.740 -8.722 3.489 1.00 50.03 O flip ATOM 266 NE2 GLN A 19 -7.601 -9.750 5.246 1.00 22.44 N flip ATOM 0 H GLN A 19 -1.891 -6.684 4.711 1.00 24.52 H new ATOM 0 HA GLN A 19 -3.046 -8.723 6.529 1.00 33.34 H new ATOM 0 HB2 GLN A 19 -4.609 -7.374 4.731 1.00 70.25 H new ATOM 0 HB3 GLN A 19 -3.989 -8.654 3.707 1.00 70.25 H new ATOM 0 HG2 GLN A 19 -4.846 -10.371 5.237 1.00 44.25 H new ATOM 0 HG3 GLN A 19 -5.331 -9.151 6.398 1.00 44.25 H new ATOM 0 HE21 GLN A 19 -7.505 -10.185 6.164 1.00 22.44 H new ATOM 0 HE22 GLN A 19 -8.516 -9.701 4.798 1.00 22.44 H new ATOM 273 N LEU A 20 -0.501 -8.928 5.037 1.00 30.44 N ATOM 274 CA LEU A 20 0.571 -9.631 4.331 1.00 12.43 C ATOM 275 C LEU A 20 0.984 -10.926 5.032 1.00 64.41 C ATOM 276 O LEU A 20 0.692 -11.130 6.207 1.00 34.24 O ATOM 277 CB LEU A 20 1.807 -8.744 4.095 1.00 2.12 C ATOM 278 CG LEU A 20 1.542 -7.305 3.625 1.00 63.35 C ATOM 279 CD1 LEU A 20 2.853 -6.520 3.648 1.00 13.34 C ATOM 280 CD2 LEU A 20 0.938 -7.258 2.222 1.00 23.44 C ATOM 0 H LEU A 20 -0.184 -8.124 5.579 1.00 30.44 H new ATOM 0 HA LEU A 20 0.151 -9.890 3.359 1.00 12.43 H new ATOM 0 HB2 LEU A 20 2.377 -8.700 5.023 1.00 2.12 H new ATOM 0 HB3 LEU A 20 2.441 -9.233 3.355 1.00 2.12 H new ATOM 0 HG LEU A 20 0.818 -6.858 4.306 1.00 63.35 H new ATOM 0 HD11 LEU A 20 2.671 -5.498 3.315 1.00 13.34 H new ATOM 0 HD12 LEU A 20 3.251 -6.506 4.663 1.00 13.34 H new ATOM 0 HD13 LEU A 20 3.573 -6.995 2.982 1.00 13.34 H new ATOM 0 HD21 LEU A 20 0.768 -6.221 1.933 1.00 23.44 H new ATOM 0 HD22 LEU A 20 1.624 -7.724 1.515 1.00 23.44 H new ATOM 0 HD23 LEU A 20 -0.010 -7.796 2.216 1.00 23.44 H new ATOM 291 N ALA A 21 1.711 -11.774 4.301 1.00 41.20 N ATOM 292 CA ALA A 21 2.264 -13.027 4.791 1.00 11.05 C ATOM 293 C ALA A 21 3.611 -12.794 5.468 1.00 33.12 C ATOM 294 O ALA A 21 4.446 -12.041 4.966 1.00 71.43 O ATOM 295 CB ALA A 21 2.479 -13.979 3.606 1.00 1.03 C ATOM 0 H ALA A 21 1.935 -11.597 3.322 1.00 41.20 H new ATOM 0 HA ALA A 21 1.567 -13.454 5.512 1.00 11.05 H new ATOM 0 HB1 ALA A 21 2.894 -14.921 3.966 1.00 1.03 H new ATOM 0 HB2 ALA A 21 1.525 -14.167 3.113 1.00 1.03 H new ATOM 0 HB3 ALA A 21 3.171 -13.526 2.896 1.00 1.03 H new ATOM 301 N ALA A 22 3.893 -13.587 6.497 1.00 73.03 N ATOM 302 CA ALA A 22 5.140 -13.642 7.250 1.00 13.22 C ATOM 303 C ALA A 22 6.365 -14.153 6.449 1.00 1.43 C ATOM 304 O ALA A 22 7.363 -14.543 7.068 1.00 1.51 O ATOM 305 CB ALA A 22 4.881 -14.502 8.491 1.00 33.04 C ATOM 0 H ALA A 22 3.208 -14.255 6.851 1.00 73.03 H new ATOM 0 HA ALA A 22 5.420 -12.623 7.517 1.00 13.22 H new ATOM 0 HB1 ALA A 22 5.793 -14.569 9.084 1.00 33.04 H new ATOM 0 HB2 ALA A 22 4.091 -14.048 9.090 1.00 33.04 H new ATOM 0 HB3 ALA A 22 4.574 -15.502 8.183 1.00 33.04 H new ATOM 311 N ARG A 23 6.310 -14.218 5.108 1.00 41.43 N ATOM 312 CA ARG A 23 7.463 -14.503 4.233 1.00 24.43 C ATOM 313 C ARG A 23 7.475 -13.692 2.920 1.00 63.40 C ATOM 314 O ARG A 23 8.157 -14.065 1.960 1.00 23.24 O ATOM 315 CB ARG A 23 7.699 -16.015 4.052 1.00 14.51 C ATOM 316 CG ARG A 23 6.538 -16.725 3.361 1.00 63.00 C ATOM 317 CD ARG A 23 5.624 -17.478 4.342 1.00 11.22 C ATOM 318 NE ARG A 23 5.771 -18.941 4.218 1.00 23.41 N ATOM 319 CZ ARG A 23 6.004 -19.837 5.189 1.00 44.11 C ATOM 320 NH1 ARG A 23 6.181 -19.470 6.451 1.00 34.01 N ATOM 321 NH2 ARG A 23 6.052 -21.126 4.882 1.00 14.41 N ATOM 0 H ARG A 23 5.444 -14.071 4.589 1.00 41.43 H new ATOM 0 HA ARG A 23 8.340 -14.132 4.763 1.00 24.43 H new ATOM 0 HB2 ARG A 23 8.608 -16.167 3.470 1.00 14.51 H new ATOM 0 HB3 ARG A 23 7.866 -16.470 5.028 1.00 14.51 H new ATOM 0 HG2 ARG A 23 5.947 -15.992 2.812 1.00 63.00 H new ATOM 0 HG3 ARG A 23 6.934 -17.429 2.629 1.00 63.00 H new ATOM 0 HD2 ARG A 23 5.858 -17.175 5.362 1.00 11.22 H new ATOM 0 HD3 ARG A 23 4.586 -17.200 4.157 1.00 11.22 H new ATOM 0 HE ARG A 23 5.685 -19.319 3.275 1.00 23.41 H new ATOM 0 HH11 ARG A 23 6.142 -18.483 6.705 1.00 34.01 H new ATOM 0 HH12 ARG A 23 6.356 -20.175 7.167 1.00 34.01 H new ATOM 0 HH21 ARG A 23 5.913 -21.426 3.917 1.00 14.41 H new ATOM 0 HH22 ARG A 23 6.228 -21.818 5.611 1.00 14.41 H new ATOM 332 N ILE A 24 6.699 -12.608 2.824 1.00 31.33 N ATOM 333 CA ILE A 24 6.669 -11.732 1.651 1.00 53.33 C ATOM 334 C ILE A 24 8.050 -11.082 1.411 1.00 34.11 C ATOM 335 O ILE A 24 8.764 -10.755 2.363 1.00 14.51 O ATOM 336 CB ILE A 24 5.513 -10.719 1.826 1.00 73.12 C ATOM 337 CG1 ILE A 24 5.302 -9.881 0.551 1.00 14.13 C ATOM 338 CG2 ILE A 24 5.726 -9.781 3.027 1.00 44.31 C ATOM 339 CD1 ILE A 24 3.881 -9.334 0.410 1.00 12.21 C ATOM 0 H ILE A 24 6.067 -12.312 3.568 1.00 31.33 H new ATOM 0 HA ILE A 24 6.469 -12.303 0.744 1.00 53.33 H new ATOM 0 HB ILE A 24 4.620 -11.314 2.017 1.00 73.12 H new ATOM 0 HG12 ILE A 24 6.005 -9.048 0.552 1.00 14.13 H new ATOM 0 HG13 ILE A 24 5.535 -10.494 -0.320 1.00 14.13 H new ATOM 0 HG21 ILE A 24 4.886 -9.091 3.103 1.00 44.31 H new ATOM 0 HG22 ILE A 24 5.796 -10.370 3.941 1.00 44.31 H new ATOM 0 HG23 ILE A 24 6.648 -9.216 2.888 1.00 44.31 H new ATOM 0 HD11 ILE A 24 3.804 -8.754 -0.510 1.00 12.21 H new ATOM 0 HD12 ILE A 24 3.174 -10.163 0.377 1.00 12.21 H new ATOM 0 HD13 ILE A 24 3.651 -8.695 1.262 1.00 12.21 H new ATOM 350 N ARG A 25 8.431 -10.878 0.145 1.00 4.31 N ATOM 351 CA ARG A 25 9.594 -10.059 -0.240 1.00 42.12 C ATOM 352 C ARG A 25 9.188 -8.585 -0.284 1.00 24.12 C ATOM 353 O ARG A 25 8.040 -8.311 -0.619 1.00 43.32 O ATOM 354 CB ARG A 25 10.083 -10.438 -1.653 1.00 70.13 C ATOM 355 CG ARG A 25 11.219 -11.467 -1.670 1.00 21.33 C ATOM 356 CD ARG A 25 11.776 -11.544 -3.096 1.00 3.32 C ATOM 357 NE ARG A 25 12.917 -12.458 -3.204 1.00 42.10 N ATOM 358 CZ ARG A 25 12.886 -13.745 -3.552 1.00 10.22 C ATOM 359 NH1 ARG A 25 11.740 -14.401 -3.687 1.00 1.52 N ATOM 360 NH2 ARG A 25 14.029 -14.383 -3.752 1.00 11.33 N ATOM 0 H ARG A 25 7.938 -11.280 -0.652 1.00 4.31 H new ATOM 0 HA ARG A 25 10.383 -10.233 0.491 1.00 42.12 H new ATOM 0 HB2 ARG A 25 9.242 -10.833 -2.223 1.00 70.13 H new ATOM 0 HB3 ARG A 25 10.418 -9.535 -2.164 1.00 70.13 H new ATOM 0 HG2 ARG A 25 12.004 -11.178 -0.971 1.00 21.33 H new ATOM 0 HG3 ARG A 25 10.852 -12.443 -1.352 1.00 21.33 H new ATOM 0 HD2 ARG A 25 10.987 -11.871 -3.774 1.00 3.32 H new ATOM 0 HD3 ARG A 25 12.080 -10.548 -3.418 1.00 3.32 H new ATOM 0 HE ARG A 25 13.834 -12.067 -2.990 1.00 42.10 H new ATOM 0 HH11 ARG A 25 10.855 -13.921 -3.524 1.00 1.52 H new ATOM 0 HH12 ARG A 25 11.744 -15.385 -3.954 1.00 1.52 H new ATOM 0 HH21 ARG A 25 14.915 -13.890 -3.639 1.00 11.33 H new ATOM 0 HH22 ARG A 25 14.024 -15.368 -4.019 1.00 11.33 H new ATOM 371 N PRO A 26 10.120 -7.627 -0.146 1.00 45.43 N ATOM 372 CA PRO A 26 9.827 -6.216 -0.391 1.00 52.33 C ATOM 373 C PRO A 26 9.391 -5.973 -1.846 1.00 65.24 C ATOM 374 O PRO A 26 8.513 -5.147 -2.087 1.00 42.41 O ATOM 375 CB PRO A 26 11.117 -5.463 -0.043 1.00 74.34 C ATOM 376 CG PRO A 26 12.206 -6.513 -0.281 1.00 2.15 C ATOM 377 CD PRO A 26 11.529 -7.806 0.174 1.00 42.33 C ATOM 0 HA PRO A 26 8.992 -5.868 0.216 1.00 52.33 H new ATOM 0 HB2 PRO A 26 11.256 -4.587 -0.677 1.00 74.34 H new ATOM 0 HB3 PRO A 26 11.113 -5.112 0.989 1.00 74.34 H new ATOM 0 HG2 PRO A 26 12.503 -6.558 -1.329 1.00 2.15 H new ATOM 0 HG3 PRO A 26 13.106 -6.302 0.297 1.00 2.15 H new ATOM 0 HD2 PRO A 26 11.944 -8.672 -0.342 1.00 42.33 H new ATOM 0 HD3 PRO A 26 11.673 -7.972 1.242 1.00 42.33 H new ATOM 382 N ARG A 27 9.986 -6.681 -2.819 1.00 50.11 N ATOM 383 CA ARG A 27 9.607 -6.537 -4.221 1.00 13.24 C ATOM 384 C ARG A 27 8.177 -7.029 -4.483 1.00 11.24 C ATOM 385 O ARG A 27 7.526 -6.453 -5.347 1.00 54.43 O ATOM 386 CB ARG A 27 10.657 -7.201 -5.138 1.00 63.14 C ATOM 387 CG ARG A 27 10.217 -7.151 -6.606 1.00 50.53 C ATOM 388 CD ARG A 27 11.325 -7.147 -7.652 1.00 65.13 C ATOM 389 NE ARG A 27 10.733 -7.119 -8.997 1.00 10.31 N ATOM 390 CZ ARG A 27 11.309 -6.843 -10.168 1.00 24.13 C ATOM 391 NH1 ARG A 27 12.589 -6.498 -10.251 1.00 3.41 N ATOM 392 NH2 ARG A 27 10.572 -6.965 -11.261 1.00 33.05 N ATOM 0 H ARG A 27 10.731 -7.358 -2.654 1.00 50.11 H new ATOM 0 HA ARG A 27 9.597 -5.475 -4.466 1.00 13.24 H new ATOM 0 HB2 ARG A 27 11.616 -6.695 -5.025 1.00 63.14 H new ATOM 0 HB3 ARG A 27 10.806 -8.237 -4.835 1.00 63.14 H new ATOM 0 HG2 ARG A 27 9.571 -8.008 -6.797 1.00 50.53 H new ATOM 0 HG3 ARG A 27 9.610 -6.257 -6.749 1.00 50.53 H new ATOM 0 HD2 ARG A 27 11.970 -6.280 -7.510 1.00 65.13 H new ATOM 0 HD3 ARG A 27 11.950 -8.032 -7.537 1.00 65.13 H new ATOM 0 HE ARG A 27 9.739 -7.343 -9.041 1.00 10.31 H new ATOM 0 HH11 ARG A 27 13.157 -6.439 -9.406 1.00 3.41 H new ATOM 0 HH12 ARG A 27 13.004 -6.292 -11.160 1.00 3.41 H new ATOM 0 HH21 ARG A 27 9.599 -7.261 -11.189 1.00 33.05 H new ATOM 0 HH22 ARG A 27 10.978 -6.763 -12.175 1.00 33.05 H new ATOM 403 N ASP A 28 7.632 -7.990 -3.727 1.00 25.33 N ATOM 404 CA ASP A 28 6.298 -8.549 -4.023 1.00 71.44 C ATOM 405 C ASP A 28 5.232 -7.456 -4.015 1.00 1.52 C ATOM 406 O ASP A 28 4.283 -7.490 -4.797 1.00 22.23 O ATOM 407 CB ASP A 28 5.908 -9.612 -2.979 1.00 34.31 C ATOM 408 CG ASP A 28 5.588 -10.989 -3.560 1.00 63.13 C ATOM 409 OD1 ASP A 28 6.103 -11.338 -4.649 1.00 21.11 O ATOM 410 OD2 ASP A 28 4.941 -11.780 -2.846 1.00 31.43 O ATOM 0 H ASP A 28 8.087 -8.398 -2.910 1.00 25.33 H new ATOM 0 HA ASP A 28 6.352 -9.002 -5.013 1.00 71.44 H new ATOM 0 HB2 ASP A 28 6.723 -9.715 -2.263 1.00 34.31 H new ATOM 0 HB3 ASP A 28 5.040 -9.256 -2.424 1.00 34.31 H new ATOM 414 N LEU A 29 5.430 -6.461 -3.146 1.00 43.21 N ATOM 415 CA LEU A 29 4.515 -5.355 -2.943 1.00 1.14 C ATOM 416 C LEU A 29 4.461 -4.466 -4.180 1.00 23.35 C ATOM 417 O LEU A 29 3.423 -3.843 -4.412 1.00 71.03 O ATOM 418 CB LEU A 29 4.952 -4.510 -1.730 1.00 53.32 C ATOM 419 CG LEU A 29 4.752 -5.133 -0.337 1.00 11.52 C ATOM 420 CD1 LEU A 29 3.341 -5.677 -0.143 1.00 24.01 C ATOM 421 CD2 LEU A 29 5.753 -6.239 0.004 1.00 22.01 C ATOM 0 H LEU A 29 6.257 -6.409 -2.552 1.00 43.21 H new ATOM 0 HA LEU A 29 3.524 -5.770 -2.757 1.00 1.14 H new ATOM 0 HB2 LEU A 29 6.009 -4.272 -1.846 1.00 53.32 H new ATOM 0 HB3 LEU A 29 4.407 -3.566 -1.761 1.00 53.32 H new ATOM 0 HG LEU A 29 4.926 -4.302 0.347 1.00 11.52 H new ATOM 0 HD11 LEU A 29 3.250 -6.106 0.855 1.00 24.01 H new ATOM 0 HD12 LEU A 29 2.620 -4.867 -0.257 1.00 24.01 H new ATOM 0 HD13 LEU A 29 3.142 -6.447 -0.888 1.00 24.01 H new ATOM 0 HD21 LEU A 29 5.543 -6.625 1.002 1.00 22.01 H new ATOM 0 HD22 LEU A 29 5.665 -7.046 -0.723 1.00 22.01 H new ATOM 0 HD23 LEU A 29 6.765 -5.835 -0.023 1.00 22.01 H new ATOM 432 N GLU A 30 5.546 -4.377 -4.951 1.00 53.30 N ATOM 433 CA GLU A 30 5.629 -3.553 -6.134 1.00 1.53 C ATOM 434 C GLU A 30 5.242 -4.358 -7.377 1.00 72.34 C ATOM 435 O GLU A 30 4.655 -3.782 -8.285 1.00 50.53 O ATOM 436 CB GLU A 30 7.018 -2.894 -6.191 1.00 65.33 C ATOM 437 CG GLU A 30 8.109 -3.580 -7.037 1.00 22.23 C ATOM 438 CD GLU A 30 9.545 -3.155 -6.684 1.00 73.12 C ATOM 439 OE1 GLU A 30 9.751 -2.384 -5.717 1.00 64.04 O ATOM 440 OE2 GLU A 30 10.512 -3.632 -7.326 1.00 63.33 O ATOM 0 H GLU A 30 6.405 -4.892 -4.757 1.00 53.30 H new ATOM 0 HA GLU A 30 4.906 -2.738 -6.098 1.00 1.53 H new ATOM 0 HB2 GLU A 30 6.891 -1.879 -6.568 1.00 65.33 H new ATOM 0 HB3 GLU A 30 7.390 -2.810 -5.170 1.00 65.33 H new ATOM 0 HG2 GLU A 30 8.022 -4.660 -6.915 1.00 22.23 H new ATOM 0 HG3 GLU A 30 7.927 -3.363 -8.089 1.00 22.23 H new ATOM 445 N GLU A 31 5.500 -5.671 -7.391 1.00 61.11 N ATOM 446 CA GLU A 31 5.217 -6.582 -8.504 1.00 43.53 C ATOM 447 C GLU A 31 3.732 -6.586 -8.837 1.00 64.21 C ATOM 448 O GLU A 31 3.364 -6.536 -10.012 1.00 44.32 O ATOM 449 CB GLU A 31 5.632 -8.014 -8.127 1.00 12.23 C ATOM 450 CG GLU A 31 7.147 -8.201 -8.064 1.00 62.34 C ATOM 451 CD GLU A 31 7.740 -8.654 -9.391 1.00 12.22 C ATOM 452 OE1 GLU A 31 8.148 -7.802 -10.206 1.00 44.32 O ATOM 453 OE2 GLU A 31 7.896 -9.880 -9.582 1.00 32.01 O ATOM 0 H GLU A 31 5.928 -6.145 -6.596 1.00 61.11 H new ATOM 0 HA GLU A 31 5.782 -6.238 -9.370 1.00 43.53 H new ATOM 0 HB2 GLU A 31 5.200 -8.268 -7.159 1.00 12.23 H new ATOM 0 HB3 GLU A 31 5.216 -8.710 -8.855 1.00 12.23 H new ATOM 0 HG2 GLU A 31 7.612 -7.262 -7.765 1.00 62.34 H new ATOM 0 HG3 GLU A 31 7.386 -8.935 -7.295 1.00 62.34 H new ATOM 458 N PHE A 32 2.903 -6.652 -7.791 1.00 23.14 N ATOM 459 CA PHE A 32 1.452 -6.629 -7.862 1.00 63.20 C ATOM 460 C PHE A 32 0.994 -5.424 -8.679 1.00 52.42 C ATOM 461 O PHE A 32 0.426 -5.582 -9.763 1.00 50.11 O ATOM 462 CB PHE A 32 0.895 -6.623 -6.431 1.00 3.15 C ATOM 463 CG PHE A 32 -0.617 -6.716 -6.325 1.00 43.12 C ATOM 464 CD1 PHE A 32 -1.350 -7.480 -7.252 1.00 21.53 C ATOM 465 CD2 PHE A 32 -1.301 -6.060 -5.283 1.00 34.13 C ATOM 466 CE1 PHE A 32 -2.738 -7.580 -7.141 1.00 33.14 C ATOM 467 CE2 PHE A 32 -2.697 -6.161 -5.174 1.00 4.11 C ATOM 468 CZ PHE A 32 -3.418 -6.927 -6.101 1.00 2.24 C ATOM 0 H PHE A 32 3.247 -6.726 -6.834 1.00 23.14 H new ATOM 0 HA PHE A 32 1.069 -7.515 -8.369 1.00 63.20 H new ATOM 0 HB2 PHE A 32 1.334 -7.458 -5.884 1.00 3.15 H new ATOM 0 HB3 PHE A 32 1.222 -5.709 -5.935 1.00 3.15 H new ATOM 0 HD1 PHE A 32 -0.836 -7.991 -8.053 1.00 21.53 H new ATOM 0 HD2 PHE A 32 -0.748 -5.475 -4.563 1.00 34.13 H new ATOM 0 HE1 PHE A 32 -3.293 -8.164 -7.861 1.00 33.14 H new ATOM 0 HE2 PHE A 32 -3.215 -5.649 -4.377 1.00 4.11 H new ATOM 0 HZ PHE A 32 -4.491 -7.014 -6.015 1.00 2.24 H new ATOM 477 N PHE A 33 1.280 -4.219 -8.188 1.00 64.00 N ATOM 478 CA PHE A 33 0.800 -3.016 -8.838 1.00 12.14 C ATOM 479 C PHE A 33 1.531 -2.737 -10.157 1.00 22.15 C ATOM 480 O PHE A 33 0.967 -2.073 -11.026 1.00 14.43 O ATOM 481 CB PHE A 33 0.904 -1.824 -7.894 1.00 65.31 C ATOM 482 CG PHE A 33 0.210 -1.968 -6.547 1.00 13.45 C ATOM 483 CD1 PHE A 33 -1.176 -2.212 -6.484 1.00 65.43 C ATOM 484 CD2 PHE A 33 0.938 -1.830 -5.349 1.00 62.31 C ATOM 485 CE1 PHE A 33 -1.823 -2.345 -5.245 1.00 74.50 C ATOM 486 CE2 PHE A 33 0.290 -1.959 -4.110 1.00 45.52 C ATOM 487 CZ PHE A 33 -1.087 -2.222 -4.056 1.00 14.25 C ATOM 0 H PHE A 33 1.837 -4.058 -7.349 1.00 64.00 H new ATOM 0 HA PHE A 33 -0.249 -3.176 -9.087 1.00 12.14 H new ATOM 0 HB2 PHE A 33 1.960 -1.621 -7.715 1.00 65.31 H new ATOM 0 HB3 PHE A 33 0.492 -0.950 -8.399 1.00 65.31 H new ATOM 0 HD1 PHE A 33 -1.746 -2.298 -7.397 1.00 65.43 H new ATOM 0 HD2 PHE A 33 1.998 -1.624 -5.384 1.00 62.31 H new ATOM 0 HE1 PHE A 33 -2.884 -2.541 -5.207 1.00 74.50 H new ATOM 0 HE2 PHE A 33 0.854 -1.855 -3.195 1.00 45.52 H new ATOM 0 HZ PHE A 33 -1.580 -2.330 -3.101 1.00 14.25 H new ATOM 496 N SER A 34 2.745 -3.261 -10.364 1.00 33.05 N ATOM 497 CA SER A 34 3.435 -3.108 -11.640 1.00 24.42 C ATOM 498 C SER A 34 2.670 -3.796 -12.777 1.00 50.34 C ATOM 499 O SER A 34 2.865 -3.422 -13.936 1.00 72.24 O ATOM 500 CB SER A 34 4.888 -3.606 -11.574 1.00 74.31 C ATOM 501 OG SER A 34 5.756 -2.668 -12.188 1.00 54.13 O ATOM 0 H SER A 34 3.264 -3.792 -9.664 1.00 33.05 H new ATOM 0 HA SER A 34 3.468 -2.040 -11.855 1.00 24.42 H new ATOM 0 HB2 SER A 34 5.181 -3.758 -10.535 1.00 74.31 H new ATOM 0 HB3 SER A 34 4.972 -4.571 -12.073 1.00 74.31 H new ATOM 0 HG SER A 34 6.679 -2.995 -12.138 1.00 54.13 H new ATOM 506 N THR A 35 1.760 -4.736 -12.482 1.00 23.44 N ATOM 507 CA THR A 35 0.993 -5.407 -13.536 1.00 33.35 C ATOM 508 C THR A 35 0.147 -4.403 -14.326 1.00 11.15 C ATOM 509 O THR A 35 -0.010 -4.518 -15.545 1.00 61.14 O ATOM 510 CB THR A 35 0.100 -6.517 -12.962 1.00 21.23 C ATOM 511 OG1 THR A 35 -0.865 -6.081 -12.018 1.00 11.33 O ATOM 512 CG2 THR A 35 0.885 -7.597 -12.245 1.00 14.25 C ATOM 0 H THR A 35 1.541 -5.044 -11.535 1.00 23.44 H new ATOM 0 HA THR A 35 1.711 -5.866 -14.215 1.00 33.35 H new ATOM 0 HB THR A 35 -0.392 -6.890 -13.860 1.00 21.23 H new ATOM 0 HG1 THR A 35 -0.418 -5.593 -11.295 1.00 11.33 H new ATOM 0 HG21 THR A 35 0.199 -8.352 -11.862 1.00 14.25 H new ATOM 0 HG22 THR A 35 1.584 -8.061 -12.941 1.00 14.25 H new ATOM 0 HG23 THR A 35 1.438 -7.155 -11.416 1.00 14.25 H new ATOM 520 N VAL A 36 -0.349 -3.399 -13.609 1.00 61.44 N ATOM 521 CA VAL A 36 -1.377 -2.451 -13.994 1.00 34.45 C ATOM 522 C VAL A 36 -0.823 -1.024 -13.928 1.00 62.34 C ATOM 523 O VAL A 36 -1.572 -0.051 -14.024 1.00 24.33 O ATOM 524 CB VAL A 36 -2.600 -2.668 -13.063 1.00 70.22 C ATOM 525 CG1 VAL A 36 -3.409 -3.893 -13.510 1.00 45.33 C ATOM 526 CG2 VAL A 36 -2.231 -2.844 -11.573 1.00 54.24 C ATOM 0 H VAL A 36 -0.010 -3.217 -12.664 1.00 61.44 H new ATOM 0 HA VAL A 36 -1.697 -2.607 -15.024 1.00 34.45 H new ATOM 0 HB VAL A 36 -3.190 -1.756 -13.150 1.00 70.22 H new ATOM 0 HG11 VAL A 36 -4.262 -4.028 -12.845 1.00 45.33 H new ATOM 0 HG12 VAL A 36 -3.764 -3.742 -14.529 1.00 45.33 H new ATOM 0 HG13 VAL A 36 -2.776 -4.780 -13.474 1.00 45.33 H new ATOM 0 HG21 VAL A 36 -3.139 -2.991 -10.988 1.00 54.24 H new ATOM 0 HG22 VAL A 36 -1.582 -3.712 -11.459 1.00 54.24 H new ATOM 0 HG23 VAL A 36 -1.711 -1.954 -11.219 1.00 54.24 H new ATOM 536 N GLY A 37 0.482 -0.858 -13.719 1.00 30.23 N ATOM 537 CA GLY A 37 0.996 0.414 -13.274 1.00 21.32 C ATOM 538 C GLY A 37 2.450 0.296 -12.879 1.00 43.32 C ATOM 539 O GLY A 37 3.246 -0.337 -13.578 1.00 63.44 O ATOM 0 H GLY A 37 1.186 -1.584 -13.851 1.00 30.23 H new ATOM 0 HA2 GLY A 37 0.889 1.153 -14.068 1.00 21.32 H new ATOM 0 HA3 GLY A 37 0.412 0.771 -12.426 1.00 21.32 H new ATOM 543 N LYS A 38 2.821 0.984 -11.806 1.00 3.34 N ATOM 544 CA LYS A 38 4.176 1.145 -11.308 1.00 62.34 C ATOM 545 C LYS A 38 4.068 1.380 -9.798 1.00 33.03 C ATOM 546 O LYS A 38 2.973 1.341 -9.251 1.00 10.23 O ATOM 547 CB LYS A 38 4.848 2.289 -12.100 1.00 73.11 C ATOM 548 CG LYS A 38 4.117 3.637 -12.004 1.00 24.34 C ATOM 549 CD LYS A 38 4.697 4.692 -12.940 1.00 2.45 C ATOM 550 CE LYS A 38 4.243 4.500 -14.387 1.00 5.32 C ATOM 551 NZ LYS A 38 4.941 5.427 -15.299 1.00 22.15 N ATOM 0 H LYS A 38 2.139 1.474 -11.227 1.00 3.34 H new ATOM 0 HA LYS A 38 4.811 0.271 -11.453 1.00 62.34 H new ATOM 0 HB2 LYS A 38 5.868 2.415 -11.738 1.00 73.11 H new ATOM 0 HB3 LYS A 38 4.915 1.999 -13.149 1.00 73.11 H new ATOM 0 HG2 LYS A 38 3.062 3.491 -12.238 1.00 24.34 H new ATOM 0 HG3 LYS A 38 4.168 4.001 -10.978 1.00 24.34 H new ATOM 0 HD2 LYS A 38 4.398 5.682 -12.597 1.00 2.45 H new ATOM 0 HD3 LYS A 38 5.785 4.654 -12.896 1.00 2.45 H new ATOM 0 HE2 LYS A 38 4.433 3.472 -14.696 1.00 5.32 H new ATOM 0 HE3 LYS A 38 3.167 4.660 -14.456 1.00 5.32 H new ATOM 0 HZ1 LYS A 38 4.610 5.271 -16.273 1.00 22.15 H new ATOM 0 HZ2 LYS A 38 4.740 6.408 -15.018 1.00 22.15 H new ATOM 0 HZ3 LYS A 38 5.966 5.256 -15.250 1.00 22.15 H new ATOM 561 N VAL A 39 5.155 1.688 -9.117 1.00 30.23 N ATOM 562 CA VAL A 39 5.302 2.054 -7.717 1.00 5.32 C ATOM 563 C VAL A 39 6.409 3.103 -7.666 1.00 53.24 C ATOM 564 O VAL A 39 7.313 3.118 -8.506 1.00 2.45 O ATOM 565 CB VAL A 39 5.590 0.769 -6.915 1.00 54.50 C ATOM 566 CG1 VAL A 39 6.152 1.013 -5.516 1.00 71.02 C ATOM 567 CG2 VAL A 39 4.292 -0.044 -6.762 1.00 32.22 C ATOM 0 H VAL A 39 6.062 1.688 -9.584 1.00 30.23 H new ATOM 0 HA VAL A 39 4.410 2.491 -7.267 1.00 5.32 H new ATOM 0 HB VAL A 39 6.351 0.235 -7.484 1.00 54.50 H new ATOM 0 HG11 VAL A 39 6.326 0.057 -5.022 1.00 71.02 H new ATOM 0 HG12 VAL A 39 7.093 1.558 -5.592 1.00 71.02 H new ATOM 0 HG13 VAL A 39 5.439 1.598 -4.935 1.00 71.02 H new ATOM 0 HG21 VAL A 39 4.496 -0.952 -6.195 1.00 32.22 H new ATOM 0 HG22 VAL A 39 3.548 0.554 -6.235 1.00 32.22 H new ATOM 0 HG23 VAL A 39 3.911 -0.310 -7.748 1.00 32.22 H new ATOM 577 N ARG A 40 6.321 4.016 -6.701 1.00 65.42 N ATOM 578 CA ARG A 40 7.406 4.920 -6.354 1.00 12.31 C ATOM 579 C ARG A 40 8.404 4.143 -5.511 1.00 30.42 C ATOM 580 O ARG A 40 9.548 3.992 -5.927 1.00 11.24 O ATOM 581 CB ARG A 40 6.850 6.159 -5.629 1.00 25.45 C ATOM 582 CG ARG A 40 7.911 7.009 -4.913 1.00 25.34 C ATOM 583 CD ARG A 40 8.980 7.543 -5.873 1.00 32.44 C ATOM 584 NE ARG A 40 9.149 8.997 -5.727 1.00 45.11 N ATOM 585 CZ ARG A 40 9.878 9.774 -6.532 1.00 50.21 C ATOM 586 NH1 ARG A 40 10.684 9.235 -7.441 1.00 4.13 N ATOM 587 NH2 ARG A 40 9.789 11.091 -6.420 1.00 54.44 N ATOM 0 H ARG A 40 5.483 4.147 -6.134 1.00 65.42 H new ATOM 0 HA ARG A 40 7.915 5.291 -7.243 1.00 12.31 H new ATOM 0 HB2 ARG A 40 6.330 6.785 -6.354 1.00 25.45 H new ATOM 0 HB3 ARG A 40 6.109 5.835 -4.898 1.00 25.45 H new ATOM 0 HG2 ARG A 40 7.424 7.847 -4.414 1.00 25.34 H new ATOM 0 HG3 ARG A 40 8.389 6.410 -4.138 1.00 25.34 H new ATOM 0 HD2 ARG A 40 9.929 7.043 -5.679 1.00 32.44 H new ATOM 0 HD3 ARG A 40 8.700 7.308 -6.900 1.00 32.44 H new ATOM 0 HE ARG A 40 8.670 9.448 -4.947 1.00 45.11 H new ATOM 0 HH11 ARG A 40 10.749 8.221 -7.528 1.00 4.13 H new ATOM 0 HH12 ARG A 40 11.237 9.836 -8.052 1.00 4.13 H new ATOM 0 HH21 ARG A 40 9.168 11.503 -5.724 1.00 54.44 H new ATOM 0 HH22 ARG A 40 10.342 11.693 -7.030 1.00 54.44 H new ATOM 598 N ASP A 41 7.992 3.669 -4.335 1.00 63.00 N ATOM 599 CA ASP A 41 8.888 3.056 -3.350 1.00 33.01 C ATOM 600 C ASP A 41 8.061 2.182 -2.405 1.00 44.32 C ATOM 601 O ASP A 41 6.844 2.349 -2.313 1.00 2.34 O ATOM 602 CB ASP A 41 9.648 4.137 -2.546 1.00 4.51 C ATOM 603 CG ASP A 41 10.953 4.591 -3.210 1.00 32.14 C ATOM 604 OD1 ASP A 41 11.851 3.734 -3.377 1.00 1.52 O ATOM 605 OD2 ASP A 41 11.083 5.804 -3.514 1.00 33.40 O ATOM 0 H ASP A 41 7.018 3.699 -4.035 1.00 63.00 H new ATOM 0 HA ASP A 41 9.626 2.446 -3.870 1.00 33.01 H new ATOM 0 HB2 ASP A 41 8.998 5.002 -2.412 1.00 4.51 H new ATOM 0 HB3 ASP A 41 9.872 3.749 -1.552 1.00 4.51 H new ATOM 609 N VAL A 42 8.714 1.270 -1.682 1.00 65.42 N ATOM 610 CA VAL A 42 8.109 0.315 -0.758 1.00 74.03 C ATOM 611 C VAL A 42 8.675 0.636 0.631 1.00 10.52 C ATOM 612 O VAL A 42 9.897 0.690 0.796 1.00 33.24 O ATOM 613 CB VAL A 42 8.461 -1.125 -1.211 1.00 72.13 C ATOM 614 CG1 VAL A 42 7.785 -2.187 -0.333 1.00 51.14 C ATOM 615 CG2 VAL A 42 8.050 -1.401 -2.667 1.00 24.12 C ATOM 0 H VAL A 42 9.728 1.175 -1.729 1.00 65.42 H new ATOM 0 HA VAL A 42 7.021 0.386 -0.737 1.00 74.03 H new ATOM 0 HB VAL A 42 9.545 -1.192 -1.115 1.00 72.13 H new ATOM 0 HG11 VAL A 42 8.060 -3.181 -0.687 1.00 51.14 H new ATOM 0 HG12 VAL A 42 8.112 -2.067 0.700 1.00 51.14 H new ATOM 0 HG13 VAL A 42 6.703 -2.069 -0.387 1.00 51.14 H new ATOM 0 HG21 VAL A 42 8.319 -2.423 -2.934 1.00 24.12 H new ATOM 0 HG22 VAL A 42 6.973 -1.270 -2.772 1.00 24.12 H new ATOM 0 HG23 VAL A 42 8.566 -0.706 -3.329 1.00 24.12 H new ATOM 625 N ARG A 43 7.809 0.803 1.634 1.00 34.24 N ATOM 626 CA ARG A 43 8.188 0.919 3.045 1.00 3.52 C ATOM 627 C ARG A 43 7.463 -0.161 3.845 1.00 14.10 C ATOM 628 O ARG A 43 6.476 0.114 4.541 1.00 42.51 O ATOM 629 CB ARG A 43 8.052 2.357 3.595 1.00 25.42 C ATOM 630 CG ARG A 43 6.972 3.259 3.008 1.00 41.32 C ATOM 631 CD ARG A 43 7.018 4.691 3.551 1.00 33.10 C ATOM 632 NE ARG A 43 6.811 4.758 5.013 1.00 62.45 N ATOM 633 CZ ARG A 43 7.317 5.684 5.839 1.00 73.33 C ATOM 634 NH1 ARG A 43 8.152 6.614 5.387 1.00 25.00 N ATOM 635 NH2 ARG A 43 6.983 5.683 7.124 1.00 54.34 N ATOM 0 H ARG A 43 6.802 0.863 1.484 1.00 34.24 H new ATOM 0 HA ARG A 43 9.256 0.732 3.153 1.00 3.52 H new ATOM 0 HB2 ARG A 43 7.878 2.287 4.669 1.00 25.42 H new ATOM 0 HB3 ARG A 43 9.011 2.856 3.459 1.00 25.42 H new ATOM 0 HG2 ARG A 43 7.080 3.285 1.924 1.00 41.32 H new ATOM 0 HG3 ARG A 43 5.993 2.828 3.221 1.00 41.32 H new ATOM 0 HD2 ARG A 43 7.982 5.137 3.305 1.00 33.10 H new ATOM 0 HD3 ARG A 43 6.254 5.288 3.053 1.00 33.10 H new ATOM 0 HE ARG A 43 6.229 4.032 5.432 1.00 62.45 H new ATOM 0 HH11 ARG A 43 8.414 6.628 4.401 1.00 25.00 H new ATOM 0 HH12 ARG A 43 8.530 7.313 6.026 1.00 25.00 H new ATOM 0 HH21 ARG A 43 6.341 4.977 7.483 1.00 54.34 H new ATOM 0 HH22 ARG A 43 7.369 6.388 7.752 1.00 54.34 H new ATOM 646 N MET A 44 7.941 -1.397 3.687 1.00 32.30 N ATOM 647 CA MET A 44 7.518 -2.602 4.368 1.00 44.31 C ATOM 648 C MET A 44 8.162 -2.664 5.749 1.00 2.20 C ATOM 649 O MET A 44 9.383 -2.522 5.872 1.00 25.12 O ATOM 650 CB MET A 44 7.956 -3.825 3.538 1.00 32.12 C ATOM 651 CG MET A 44 6.839 -4.857 3.518 1.00 4.13 C ATOM 652 SD MET A 44 7.357 -6.581 3.424 1.00 51.32 S ATOM 653 CE MET A 44 6.822 -7.129 5.068 1.00 34.44 C ATOM 0 H MET A 44 8.693 -1.586 3.025 1.00 32.30 H new ATOM 0 HA MET A 44 6.434 -2.600 4.480 1.00 44.31 H new ATOM 0 HB2 MET A 44 8.199 -3.518 2.521 1.00 32.12 H new ATOM 0 HB3 MET A 44 8.860 -4.261 3.964 1.00 32.12 H new ATOM 0 HG2 MET A 44 6.236 -4.728 4.417 1.00 4.13 H new ATOM 0 HG3 MET A 44 6.192 -4.646 2.667 1.00 4.13 H new ATOM 0 HE1 MET A 44 7.171 -8.146 5.244 1.00 34.44 H new ATOM 0 HE2 MET A 44 7.239 -6.466 5.826 1.00 34.44 H new ATOM 0 HE3 MET A 44 5.734 -7.104 5.123 1.00 34.44 H new ATOM 661 N ILE A 45 7.368 -2.922 6.789 1.00 3.23 N ATOM 662 CA ILE A 45 7.875 -3.128 8.137 1.00 23.12 C ATOM 663 C ILE A 45 8.080 -4.635 8.293 1.00 53.15 C ATOM 664 O ILE A 45 7.252 -5.322 8.893 1.00 32.32 O ATOM 665 CB ILE A 45 6.956 -2.495 9.212 1.00 50.32 C ATOM 666 CG1 ILE A 45 6.582 -1.019 8.922 1.00 33.10 C ATOM 667 CG2 ILE A 45 7.670 -2.557 10.575 1.00 61.05 C ATOM 668 CD1 ILE A 45 5.335 -0.836 8.053 1.00 71.42 C ATOM 0 H ILE A 45 6.353 -2.993 6.715 1.00 3.23 H new ATOM 0 HA ILE A 45 8.825 -2.616 8.291 1.00 23.12 H new ATOM 0 HB ILE A 45 6.029 -3.068 9.207 1.00 50.32 H new ATOM 0 HG12 ILE A 45 6.427 -0.504 9.870 1.00 33.10 H new ATOM 0 HG13 ILE A 45 7.425 -0.534 8.431 1.00 33.10 H new ATOM 0 HG21 ILE A 45 7.032 -2.114 11.340 1.00 61.05 H new ATOM 0 HG22 ILE A 45 7.876 -3.596 10.831 1.00 61.05 H new ATOM 0 HG23 ILE A 45 8.608 -2.005 10.520 1.00 61.05 H new ATOM 0 HD11 ILE A 45 5.149 0.227 7.902 1.00 71.42 H new ATOM 0 HD12 ILE A 45 5.490 -1.318 7.088 1.00 71.42 H new ATOM 0 HD13 ILE A 45 4.476 -1.287 8.550 1.00 71.42 H new ATOM 679 N SER A 46 9.133 -5.167 7.672 1.00 73.01 N ATOM 680 CA SER A 46 9.491 -6.575 7.740 1.00 53.54 C ATOM 681 C SER A 46 10.032 -6.871 9.136 1.00 53.33 C ATOM 682 O SER A 46 11.226 -6.720 9.397 1.00 11.54 O ATOM 683 CB SER A 46 10.506 -6.912 6.647 1.00 65.05 C ATOM 684 OG SER A 46 10.031 -6.465 5.394 1.00 54.12 O ATOM 0 H SER A 46 9.771 -4.616 7.097 1.00 73.01 H new ATOM 0 HA SER A 46 8.617 -7.202 7.566 1.00 53.54 H new ATOM 0 HB2 SER A 46 11.464 -6.442 6.871 1.00 65.05 H new ATOM 0 HB3 SER A 46 10.678 -7.988 6.618 1.00 65.05 H new ATOM 0 HG SER A 46 10.687 -6.683 4.699 1.00 54.12 H new ATOM 689 N ASP A 47 9.138 -7.273 10.031 1.00 5.30 N ATOM 690 CA ASP A 47 9.271 -7.461 11.450 1.00 45.34 C ATOM 691 C ASP A 47 9.883 -6.257 12.175 1.00 12.30 C ATOM 692 O ASP A 47 10.199 -5.214 11.592 1.00 52.32 O ATOM 693 CB ASP A 47 9.958 -8.789 11.737 1.00 12.53 C ATOM 694 CG ASP A 47 9.296 -10.005 11.090 1.00 12.34 C ATOM 695 OD1 ASP A 47 8.052 -10.147 11.148 1.00 25.02 O ATOM 696 OD2 ASP A 47 10.006 -10.867 10.528 1.00 65.32 O ATOM 0 H ASP A 47 8.190 -7.500 9.730 1.00 5.30 H new ATOM 0 HA ASP A 47 8.271 -7.519 11.880 1.00 45.34 H new ATOM 0 HB2 ASP A 47 10.991 -8.730 11.394 1.00 12.53 H new ATOM 0 HB3 ASP A 47 9.989 -8.941 12.816 1.00 12.53 H new ATOM 700 N ARG A 48 9.930 -6.341 13.504 1.00 31.23 N ATOM 701 CA ARG A 48 10.239 -5.219 14.381 1.00 1.33 C ATOM 702 C ARG A 48 10.442 -5.737 15.796 1.00 52.31 C ATOM 703 O ARG A 48 10.045 -6.864 16.092 1.00 1.50 O ATOM 704 CB ARG A 48 9.073 -4.204 14.327 1.00 50.41 C ATOM 705 CG ARG A 48 9.425 -2.761 13.930 1.00 51.21 C ATOM 706 CD ARG A 48 9.482 -1.851 15.159 1.00 63.05 C ATOM 707 NE ARG A 48 9.564 -0.426 14.812 1.00 54.45 N ATOM 708 CZ ARG A 48 8.531 0.398 14.611 1.00 24.00 C ATOM 709 NH1 ARG A 48 7.306 -0.096 14.449 1.00 50.42 N ATOM 710 NH2 ARG A 48 8.718 1.708 14.570 1.00 44.32 N ATOM 0 H ARG A 48 9.750 -7.209 14.008 1.00 31.23 H new ATOM 0 HA ARG A 48 11.153 -4.720 14.058 1.00 1.33 H new ATOM 0 HB2 ARG A 48 8.330 -4.578 13.623 1.00 50.41 H new ATOM 0 HB3 ARG A 48 8.598 -4.180 15.308 1.00 50.41 H new ATOM 0 HG2 ARG A 48 10.387 -2.746 13.417 1.00 51.21 H new ATOM 0 HG3 ARG A 48 8.683 -2.382 13.227 1.00 51.21 H new ATOM 0 HD2 ARG A 48 8.596 -2.020 15.771 1.00 63.05 H new ATOM 0 HD3 ARG A 48 10.346 -2.122 15.766 1.00 63.05 H new ATOM 0 HE ARG A 48 10.498 -0.027 14.715 1.00 54.45 H new ATOM 0 HH11 ARG A 48 7.155 -1.104 14.478 1.00 50.42 H new ATOM 0 HH12 ARG A 48 6.518 0.534 14.296 1.00 50.42 H new ATOM 0 HH21 ARG A 48 9.654 2.094 14.692 1.00 44.32 H new ATOM 0 HH22 ARG A 48 7.926 2.332 14.416 1.00 44.32 H new ATOM 721 N ASN A 49 10.878 -4.839 16.678 1.00 70.34 N ATOM 722 CA ASN A 49 11.280 -4.941 18.087 1.00 2.20 C ATOM 723 C ASN A 49 10.431 -5.750 19.089 1.00 45.45 C ATOM 724 O ASN A 49 10.716 -5.740 20.286 1.00 33.03 O ATOM 725 CB ASN A 49 11.382 -3.513 18.636 1.00 31.20 C ATOM 726 CG ASN A 49 10.030 -2.882 18.971 1.00 11.24 C ATOM 727 OD1 ASN A 49 9.366 -2.264 18.141 1.00 5.23 O ATOM 728 ND2 ASN A 49 9.538 -3.057 20.180 1.00 3.51 N ATOM 0 H ASN A 49 10.972 -3.870 16.373 1.00 70.34 H new ATOM 0 HA ASN A 49 12.201 -5.520 18.028 1.00 2.20 H new ATOM 0 HB2 ASN A 49 12.000 -3.522 19.534 1.00 31.20 H new ATOM 0 HB3 ASN A 49 11.893 -2.888 17.904 1.00 31.20 H new ATOM 0 HD21 ASN A 49 8.619 -2.682 20.416 1.00 3.51 H new ATOM 0 HD22 ASN A 49 10.076 -3.567 20.881 1.00 3.51 H new ATOM 734 N SER A 50 9.350 -6.371 18.649 1.00 13.43 N ATOM 735 CA SER A 50 8.557 -7.320 19.416 1.00 3.31 C ATOM 736 C SER A 50 8.073 -8.440 18.491 1.00 51.41 C ATOM 737 O SER A 50 8.373 -9.606 18.738 1.00 72.34 O ATOM 738 CB SER A 50 7.415 -6.567 20.119 1.00 32.40 C ATOM 739 OG SER A 50 6.585 -7.419 20.887 1.00 11.12 O ATOM 0 H SER A 50 8.985 -6.222 17.708 1.00 13.43 H new ATOM 0 HA SER A 50 9.152 -7.795 20.196 1.00 3.31 H new ATOM 0 HB2 SER A 50 7.837 -5.799 20.767 1.00 32.40 H new ATOM 0 HB3 SER A 50 6.809 -6.055 19.371 1.00 32.40 H new ATOM 0 HG SER A 50 5.878 -6.890 21.313 1.00 11.12 H new ATOM 744 N ARG A 51 7.271 -8.090 17.472 1.00 33.11 N ATOM 745 CA ARG A 51 6.731 -8.939 16.397 1.00 4.42 C ATOM 746 C ARG A 51 5.754 -8.135 15.542 1.00 45.44 C ATOM 747 O ARG A 51 5.803 -8.193 14.318 1.00 63.31 O ATOM 748 CB ARG A 51 6.119 -10.273 16.889 1.00 65.25 C ATOM 749 CG ARG A 51 5.231 -10.210 18.146 1.00 13.30 C ATOM 750 CD ARG A 51 4.990 -11.605 18.745 1.00 10.13 C ATOM 751 NE ARG A 51 4.676 -11.511 20.181 1.00 11.41 N ATOM 752 CZ ARG A 51 3.943 -12.353 20.917 1.00 11.43 C ATOM 753 NH1 ARG A 51 3.406 -13.450 20.394 1.00 44.11 N ATOM 754 NH2 ARG A 51 3.711 -12.086 22.194 1.00 31.21 N ATOM 0 H ARG A 51 6.957 -7.125 17.370 1.00 33.11 H new ATOM 0 HA ARG A 51 7.576 -9.244 15.780 1.00 4.42 H new ATOM 0 HB2 ARG A 51 5.528 -10.695 16.077 1.00 65.25 H new ATOM 0 HB3 ARG A 51 6.935 -10.969 17.084 1.00 65.25 H new ATOM 0 HG2 ARG A 51 5.702 -9.570 18.892 1.00 13.30 H new ATOM 0 HG3 ARG A 51 4.274 -9.753 17.893 1.00 13.30 H new ATOM 0 HD2 ARG A 51 4.169 -12.094 18.220 1.00 10.13 H new ATOM 0 HD3 ARG A 51 5.875 -12.225 18.602 1.00 10.13 H new ATOM 0 HE ARG A 51 5.065 -10.707 20.673 1.00 11.41 H new ATOM 0 HH11 ARG A 51 3.549 -13.667 19.408 1.00 44.11 H new ATOM 0 HH12 ARG A 51 2.851 -14.075 20.979 1.00 44.11 H new ATOM 0 HH21 ARG A 51 4.091 -11.238 22.615 1.00 31.21 H new ATOM 0 HH22 ARG A 51 3.152 -12.728 22.756 1.00 31.21 H new ATOM 765 N ARG A 52 4.949 -7.267 16.175 1.00 13.10 N ATOM 766 CA ARG A 52 3.943 -6.429 15.522 1.00 32.44 C ATOM 767 C ARG A 52 2.949 -7.328 14.768 1.00 12.23 C ATOM 768 O ARG A 52 2.834 -8.522 15.055 1.00 33.14 O ATOM 769 CB ARG A 52 4.611 -5.371 14.617 1.00 11.33 C ATOM 770 CG ARG A 52 5.833 -4.605 15.147 1.00 45.22 C ATOM 771 CD ARG A 52 5.602 -3.419 16.087 1.00 30.13 C ATOM 772 NE ARG A 52 4.983 -3.800 17.361 1.00 70.01 N ATOM 773 CZ ARG A 52 5.478 -3.672 18.596 1.00 23.22 C ATOM 774 NH1 ARG A 52 6.737 -3.317 18.839 1.00 70.14 N ATOM 775 NH2 ARG A 52 4.680 -3.936 19.615 1.00 25.32 N ATOM 0 H ARG A 52 4.985 -7.128 17.185 1.00 13.10 H new ATOM 0 HA ARG A 52 3.381 -5.869 16.269 1.00 32.44 H new ATOM 0 HB2 ARG A 52 4.909 -5.868 13.694 1.00 11.33 H new ATOM 0 HB3 ARG A 52 3.851 -4.636 14.353 1.00 11.33 H new ATOM 0 HG2 ARG A 52 6.472 -5.319 15.666 1.00 45.22 H new ATOM 0 HG3 ARG A 52 6.395 -4.241 14.287 1.00 45.22 H new ATOM 0 HD2 ARG A 52 6.556 -2.931 16.286 1.00 30.13 H new ATOM 0 HD3 ARG A 52 4.968 -2.687 15.588 1.00 30.13 H new ATOM 0 HE ARG A 52 4.054 -4.217 17.296 1.00 70.01 H new ATOM 0 HH11 ARG A 52 7.372 -3.129 18.064 1.00 70.14 H new ATOM 0 HH12 ARG A 52 7.067 -3.233 19.801 1.00 70.14 H new ATOM 0 HH21 ARG A 52 3.717 -4.228 19.447 1.00 25.32 H new ATOM 0 HH22 ARG A 52 5.027 -3.848 20.570 1.00 25.32 H new ATOM 786 N SER A 53 2.166 -6.743 13.862 1.00 54.14 N ATOM 787 CA SER A 53 1.226 -7.456 13.004 1.00 5.13 C ATOM 788 C SER A 53 1.909 -8.412 12.022 1.00 2.00 C ATOM 789 O SER A 53 1.201 -9.227 11.445 1.00 34.40 O ATOM 790 CB SER A 53 0.380 -6.428 12.232 1.00 42.01 C ATOM 791 OG SER A 53 -0.980 -6.795 12.141 1.00 14.23 O ATOM 0 H SER A 53 2.169 -5.736 13.702 1.00 54.14 H new ATOM 0 HA SER A 53 0.599 -8.073 13.647 1.00 5.13 H new ATOM 0 HB2 SER A 53 0.458 -5.458 12.724 1.00 42.01 H new ATOM 0 HB3 SER A 53 0.787 -6.310 11.228 1.00 42.01 H new ATOM 0 HG SER A 53 -1.472 -6.108 11.643 1.00 14.23 H new ATOM 796 N LYS A 54 3.230 -8.313 11.817 1.00 54.43 N ATOM 797 CA LYS A 54 4.057 -9.081 10.871 1.00 21.02 C ATOM 798 C LYS A 54 3.582 -9.159 9.405 1.00 33.31 C ATOM 799 O LYS A 54 4.155 -9.921 8.624 1.00 23.21 O ATOM 800 CB LYS A 54 4.506 -10.415 11.484 1.00 13.23 C ATOM 801 CG LYS A 54 3.463 -11.493 11.258 1.00 70.51 C ATOM 802 CD LYS A 54 3.016 -12.221 12.529 1.00 12.10 C ATOM 803 CE LYS A 54 3.477 -13.674 12.450 1.00 63.12 C ATOM 804 NZ LYS A 54 2.772 -14.552 13.401 1.00 34.21 N ATOM 0 H LYS A 54 3.791 -7.645 12.346 1.00 54.43 H new ATOM 0 HA LYS A 54 4.947 -8.467 10.730 1.00 21.02 H new ATOM 0 HB2 LYS A 54 5.454 -10.722 11.042 1.00 13.23 H new ATOM 0 HB3 LYS A 54 4.679 -10.289 12.553 1.00 13.23 H new ATOM 0 HG2 LYS A 54 2.590 -11.043 10.786 1.00 70.51 H new ATOM 0 HG3 LYS A 54 3.862 -12.225 10.556 1.00 70.51 H new ATOM 0 HD2 LYS A 54 3.439 -11.738 13.410 1.00 12.10 H new ATOM 0 HD3 LYS A 54 1.932 -12.174 12.630 1.00 12.10 H new ATOM 0 HE2 LYS A 54 3.321 -14.045 11.437 1.00 63.12 H new ATOM 0 HE3 LYS A 54 4.548 -13.721 12.645 1.00 63.12 H new ATOM 0 HZ1 LYS A 54 3.125 -15.525 13.303 1.00 34.21 H new ATOM 0 HZ2 LYS A 54 2.941 -14.219 14.372 1.00 34.21 H new ATOM 0 HZ3 LYS A 54 1.752 -14.532 13.201 1.00 34.21 H new ATOM 814 N GLY A 55 2.586 -8.368 9.007 1.00 4.33 N ATOM 815 CA GLY A 55 2.185 -8.251 7.618 1.00 43.15 C ATOM 816 C GLY A 55 1.704 -6.843 7.295 1.00 71.45 C ATOM 817 O GLY A 55 0.531 -6.663 6.974 1.00 25.53 O ATOM 0 H GLY A 55 2.037 -7.792 9.645 1.00 4.33 H new ATOM 0 HA2 GLY A 55 3.025 -8.507 6.972 1.00 43.15 H new ATOM 0 HA3 GLY A 55 1.390 -8.966 7.406 1.00 43.15 H new ATOM 821 N ILE A 56 2.587 -5.845 7.402 1.00 74.14 N ATOM 822 CA ILE A 56 2.264 -4.421 7.298 1.00 22.03 C ATOM 823 C ILE A 56 3.278 -3.686 6.412 1.00 63.01 C ATOM 824 O ILE A 56 4.493 -3.811 6.592 1.00 25.40 O ATOM 825 CB ILE A 56 2.138 -3.773 8.700 1.00 50.11 C ATOM 826 CG1 ILE A 56 3.222 -4.272 9.684 1.00 62.11 C ATOM 827 CG2 ILE A 56 0.725 -4.020 9.261 1.00 54.02 C ATOM 828 CD1 ILE A 56 3.370 -3.416 10.948 1.00 43.22 C ATOM 0 H ILE A 56 3.579 -6.013 7.569 1.00 74.14 H new ATOM 0 HA ILE A 56 1.292 -4.329 6.814 1.00 22.03 H new ATOM 0 HB ILE A 56 2.299 -2.701 8.586 1.00 50.11 H new ATOM 0 HG12 ILE A 56 2.986 -5.295 9.978 1.00 62.11 H new ATOM 0 HG13 ILE A 56 4.180 -4.302 9.166 1.00 62.11 H new ATOM 0 HG21 ILE A 56 0.640 -3.563 10.247 1.00 54.02 H new ATOM 0 HG22 ILE A 56 -0.014 -3.580 8.592 1.00 54.02 H new ATOM 0 HG23 ILE A 56 0.548 -5.092 9.342 1.00 54.02 H new ATOM 0 HD11 ILE A 56 4.151 -3.836 11.582 1.00 43.22 H new ATOM 0 HD12 ILE A 56 3.639 -2.397 10.668 1.00 43.22 H new ATOM 0 HD13 ILE A 56 2.426 -3.406 11.493 1.00 43.22 H new ATOM 839 N ALA A 57 2.783 -2.905 5.447 1.00 12.51 N ATOM 840 CA ALA A 57 3.589 -2.161 4.483 1.00 14.32 C ATOM 841 C ALA A 57 2.816 -0.968 3.921 1.00 5.33 C ATOM 842 O ALA A 57 1.597 -1.044 3.790 1.00 65.01 O ATOM 843 CB ALA A 57 3.942 -3.104 3.328 1.00 23.41 C ATOM 0 H ALA A 57 1.781 -2.771 5.314 1.00 12.51 H new ATOM 0 HA ALA A 57 4.484 -1.788 4.982 1.00 14.32 H new ATOM 0 HB1 ALA A 57 4.545 -2.570 2.594 1.00 23.41 H new ATOM 0 HB2 ALA A 57 4.506 -3.954 3.712 1.00 23.41 H new ATOM 0 HB3 ALA A 57 3.026 -3.460 2.856 1.00 23.41 H new ATOM 849 N TYR A 58 3.511 0.098 3.522 1.00 30.13 N ATOM 850 CA TYR A 58 2.923 1.301 2.935 1.00 72.13 C ATOM 851 C TYR A 58 3.617 1.622 1.611 1.00 32.23 C ATOM 852 O TYR A 58 4.536 2.424 1.556 1.00 44.41 O ATOM 853 CB TYR A 58 3.065 2.473 3.907 1.00 5.21 C ATOM 854 CG TYR A 58 2.364 2.321 5.240 1.00 70.05 C ATOM 855 CD1 TYR A 58 2.979 1.566 6.252 1.00 5.23 C ATOM 856 CD2 TYR A 58 1.145 2.977 5.497 1.00 50.24 C ATOM 857 CE1 TYR A 58 2.406 1.471 7.524 1.00 25.44 C ATOM 858 CE2 TYR A 58 0.560 2.895 6.775 1.00 23.22 C ATOM 859 CZ TYR A 58 1.189 2.136 7.793 1.00 10.34 C ATOM 860 OH TYR A 58 0.632 2.030 9.030 1.00 54.14 O ATOM 0 H TYR A 58 4.527 0.149 3.601 1.00 30.13 H new ATOM 0 HA TYR A 58 1.864 1.130 2.744 1.00 72.13 H new ATOM 0 HB2 TYR A 58 4.126 2.637 4.094 1.00 5.21 H new ATOM 0 HB3 TYR A 58 2.685 3.371 3.420 1.00 5.21 H new ATOM 0 HD1 TYR A 58 3.906 1.052 6.045 1.00 5.23 H new ATOM 0 HD2 TYR A 58 0.660 3.542 4.715 1.00 50.24 H new ATOM 0 HE1 TYR A 58 2.891 0.893 8.296 1.00 25.44 H new ATOM 0 HE2 TYR A 58 -0.367 3.410 6.979 1.00 23.22 H new ATOM 0 HH TYR A 58 0.000 1.281 9.041 1.00 54.14 H new ATOM 869 N VAL A 59 3.240 0.958 0.529 1.00 13.10 N ATOM 870 CA VAL A 59 3.887 1.140 -0.771 1.00 31.20 C ATOM 871 C VAL A 59 3.330 2.381 -1.482 1.00 45.11 C ATOM 872 O VAL A 59 2.115 2.518 -1.622 1.00 70.41 O ATOM 873 CB VAL A 59 4.017 -0.226 -1.483 1.00 2.22 C ATOM 874 CG1 VAL A 59 2.770 -1.087 -1.362 1.00 33.03 C ATOM 875 CG2 VAL A 59 4.432 -0.128 -2.943 1.00 72.41 C ATOM 0 H VAL A 59 2.479 0.278 0.522 1.00 13.10 H new ATOM 0 HA VAL A 59 4.936 1.430 -0.719 1.00 31.20 H new ATOM 0 HB VAL A 59 4.828 -0.716 -0.944 1.00 2.22 H new ATOM 0 HG11 VAL A 59 2.928 -2.031 -1.883 1.00 33.03 H new ATOM 0 HG12 VAL A 59 2.564 -1.283 -0.310 1.00 33.03 H new ATOM 0 HG13 VAL A 59 1.923 -0.565 -1.806 1.00 33.03 H new ATOM 0 HG21 VAL A 59 4.501 -1.129 -3.370 1.00 72.41 H new ATOM 0 HG22 VAL A 59 3.691 0.451 -3.494 1.00 72.41 H new ATOM 0 HG23 VAL A 59 5.402 0.364 -3.013 1.00 72.41 H new ATOM 885 N GLU A 60 4.192 3.345 -1.819 1.00 12.11 N ATOM 886 CA GLU A 60 3.837 4.646 -2.382 1.00 33.31 C ATOM 887 C GLU A 60 3.675 4.533 -3.894 1.00 61.41 C ATOM 888 O GLU A 60 4.528 3.939 -4.555 1.00 14.23 O ATOM 889 CB GLU A 60 4.890 5.717 -2.020 1.00 73.11 C ATOM 890 CG GLU A 60 4.486 7.086 -2.611 1.00 44.35 C ATOM 891 CD GLU A 60 5.353 8.269 -2.182 1.00 42.13 C ATOM 892 OE1 GLU A 60 5.585 8.449 -0.963 1.00 23.23 O ATOM 893 OE2 GLU A 60 5.719 9.092 -3.052 1.00 11.40 O ATOM 0 H GLU A 60 5.199 3.233 -1.701 1.00 12.11 H new ATOM 0 HA GLU A 60 2.887 4.961 -1.950 1.00 33.31 H new ATOM 0 HB2 GLU A 60 4.983 5.794 -0.937 1.00 73.11 H new ATOM 0 HB3 GLU A 60 5.866 5.421 -2.404 1.00 73.11 H new ATOM 0 HG2 GLU A 60 4.512 7.015 -3.698 1.00 44.35 H new ATOM 0 HG3 GLU A 60 3.454 7.293 -2.329 1.00 44.35 H new ATOM 898 N PHE A 61 2.640 5.172 -4.446 1.00 71.22 N ATOM 899 CA PHE A 61 2.386 5.197 -5.874 1.00 54.51 C ATOM 900 C PHE A 61 2.921 6.480 -6.527 1.00 65.11 C ATOM 901 O PHE A 61 3.130 7.505 -5.876 1.00 23.44 O ATOM 902 CB PHE A 61 0.875 5.035 -6.060 1.00 43.40 C ATOM 903 CG PHE A 61 0.497 4.232 -7.272 1.00 62.21 C ATOM 904 CD1 PHE A 61 0.741 2.855 -7.271 1.00 32.31 C ATOM 905 CD2 PHE A 61 -0.013 4.847 -8.422 1.00 53.32 C ATOM 906 CE1 PHE A 61 0.395 2.092 -8.395 1.00 32.13 C ATOM 907 CE2 PHE A 61 -0.252 4.101 -9.584 1.00 1.33 C ATOM 908 CZ PHE A 61 -0.076 2.711 -9.566 1.00 31.35 C ATOM 0 H PHE A 61 1.951 5.690 -3.900 1.00 71.22 H new ATOM 0 HA PHE A 61 2.914 4.385 -6.373 1.00 54.51 H new ATOM 0 HB2 PHE A 61 0.458 4.556 -5.174 1.00 43.40 H new ATOM 0 HB3 PHE A 61 0.419 6.022 -6.133 1.00 43.40 H new ATOM 0 HD1 PHE A 61 1.193 2.383 -6.411 1.00 32.31 H new ATOM 0 HD2 PHE A 61 -0.224 5.906 -8.413 1.00 53.32 H new ATOM 0 HE1 PHE A 61 0.491 1.017 -8.361 1.00 32.13 H new ATOM 0 HE2 PHE A 61 -0.571 4.595 -10.490 1.00 1.33 H new ATOM 0 HZ PHE A 61 -0.300 2.121 -10.443 1.00 31.35 H new ATOM 917 N VAL A 62 3.103 6.445 -7.844 1.00 70.41 N ATOM 918 CA VAL A 62 3.578 7.541 -8.686 1.00 44.23 C ATOM 919 C VAL A 62 2.414 8.460 -9.116 1.00 10.52 C ATOM 920 O VAL A 62 2.636 9.583 -9.564 1.00 51.51 O ATOM 921 CB VAL A 62 4.287 6.916 -9.915 1.00 12.42 C ATOM 922 CG1 VAL A 62 4.873 7.959 -10.871 1.00 11.53 C ATOM 923 CG2 VAL A 62 5.436 5.976 -9.504 1.00 5.12 C ATOM 0 H VAL A 62 2.912 5.602 -8.385 1.00 70.41 H new ATOM 0 HA VAL A 62 4.276 8.167 -8.130 1.00 44.23 H new ATOM 0 HB VAL A 62 3.500 6.360 -10.425 1.00 12.42 H new ATOM 0 HG11 VAL A 62 5.355 7.455 -11.709 1.00 11.53 H new ATOM 0 HG12 VAL A 62 4.074 8.600 -11.244 1.00 11.53 H new ATOM 0 HG13 VAL A 62 5.608 8.566 -10.342 1.00 11.53 H new ATOM 0 HG21 VAL A 62 5.904 5.561 -10.397 1.00 5.12 H new ATOM 0 HG22 VAL A 62 6.177 6.535 -8.933 1.00 5.12 H new ATOM 0 HG23 VAL A 62 5.041 5.165 -8.891 1.00 5.12 H new ATOM 933 N ASP A 63 1.167 8.006 -8.985 1.00 54.51 N ATOM 934 CA ASP A 63 -0.053 8.703 -9.404 1.00 71.21 C ATOM 935 C ASP A 63 -1.033 8.734 -8.227 1.00 24.01 C ATOM 936 O ASP A 63 -0.822 8.025 -7.243 1.00 21.11 O ATOM 937 CB ASP A 63 -0.703 7.973 -10.594 1.00 2.14 C ATOM 938 CG ASP A 63 -1.960 8.669 -11.117 1.00 33.31 C ATOM 939 OD1 ASP A 63 -2.011 9.922 -11.142 1.00 12.14 O ATOM 940 OD2 ASP A 63 -2.922 7.962 -11.473 1.00 33.33 O ATOM 0 H ASP A 63 0.969 7.098 -8.564 1.00 54.51 H new ATOM 0 HA ASP A 63 0.198 9.718 -9.711 1.00 71.21 H new ATOM 0 HB2 ASP A 63 0.023 7.893 -11.403 1.00 2.14 H new ATOM 0 HB3 ASP A 63 -0.957 6.957 -10.293 1.00 2.14 H new ATOM 944 N VAL A 64 -2.125 9.491 -8.328 1.00 43.43 N ATOM 945 CA VAL A 64 -3.216 9.543 -7.356 1.00 25.45 C ATOM 946 C VAL A 64 -4.421 8.702 -7.830 1.00 22.52 C ATOM 947 O VAL A 64 -5.184 8.196 -7.009 1.00 64.31 O ATOM 948 CB VAL A 64 -3.621 11.023 -7.131 1.00 72.04 C ATOM 949 CG1 VAL A 64 -4.489 11.193 -5.876 1.00 71.32 C ATOM 950 CG2 VAL A 64 -2.423 11.986 -6.998 1.00 4.21 C ATOM 0 H VAL A 64 -2.280 10.111 -9.123 1.00 43.43 H new ATOM 0 HA VAL A 64 -2.879 9.116 -6.412 1.00 25.45 H new ATOM 0 HB VAL A 64 -4.181 11.283 -8.030 1.00 72.04 H new ATOM 0 HG11 VAL A 64 -4.751 12.244 -5.754 1.00 71.32 H new ATOM 0 HG12 VAL A 64 -5.399 10.602 -5.980 1.00 71.32 H new ATOM 0 HG13 VAL A 64 -3.934 10.854 -5.001 1.00 71.32 H new ATOM 0 HG21 VAL A 64 -2.788 13.001 -6.843 1.00 4.21 H new ATOM 0 HG22 VAL A 64 -1.809 11.687 -6.149 1.00 4.21 H new ATOM 0 HG23 VAL A 64 -1.825 11.951 -7.909 1.00 4.21 H new ATOM 960 N SER A 65 -4.628 8.535 -9.141 1.00 63.32 N ATOM 961 CA SER A 65 -5.883 7.992 -9.662 1.00 44.33 C ATOM 962 C SER A 65 -5.961 6.463 -9.508 1.00 21.11 C ATOM 963 O SER A 65 -7.050 5.892 -9.625 1.00 11.03 O ATOM 964 CB SER A 65 -6.021 8.452 -11.118 1.00 1.14 C ATOM 965 OG SER A 65 -7.310 8.248 -11.662 1.00 72.42 O ATOM 0 H SER A 65 -3.942 8.769 -9.859 1.00 63.32 H new ATOM 0 HA SER A 65 -6.725 8.371 -9.082 1.00 44.33 H new ATOM 0 HB2 SER A 65 -5.775 9.512 -11.179 1.00 1.14 H new ATOM 0 HB3 SER A 65 -5.291 7.920 -11.728 1.00 1.14 H new ATOM 0 HG SER A 65 -7.748 7.506 -11.196 1.00 72.42 H new ATOM 970 N SER A 66 -4.841 5.792 -9.227 1.00 53.44 N ATOM 971 CA SER A 66 -4.791 4.359 -8.956 1.00 24.43 C ATOM 972 C SER A 66 -4.988 4.031 -7.463 1.00 34.23 C ATOM 973 O SER A 66 -4.982 2.852 -7.109 1.00 74.30 O ATOM 974 CB SER A 66 -3.456 3.813 -9.462 1.00 62.24 C ATOM 975 OG SER A 66 -3.165 4.297 -10.765 1.00 50.40 O ATOM 0 H SER A 66 -3.927 6.242 -9.181 1.00 53.44 H new ATOM 0 HA SER A 66 -5.618 3.880 -9.481 1.00 24.43 H new ATOM 0 HB2 SER A 66 -2.659 4.102 -8.777 1.00 62.24 H new ATOM 0 HB3 SER A 66 -3.487 2.723 -9.474 1.00 62.24 H new ATOM 0 HG SER A 66 -2.241 4.071 -10.999 1.00 50.40 H new ATOM 980 N VAL A 67 -5.170 5.007 -6.564 1.00 2.05 N ATOM 981 CA VAL A 67 -5.527 4.751 -5.165 1.00 10.32 C ATOM 982 C VAL A 67 -6.815 3.908 -5.111 1.00 14.23 C ATOM 983 O VAL A 67 -6.770 2.791 -4.587 1.00 23.55 O ATOM 984 CB VAL A 67 -5.585 6.071 -4.358 1.00 24.13 C ATOM 985 CG1 VAL A 67 -6.118 5.853 -2.938 1.00 44.13 C ATOM 986 CG2 VAL A 67 -4.192 6.704 -4.237 1.00 44.12 C ATOM 0 H VAL A 67 -5.073 5.997 -6.788 1.00 2.05 H new ATOM 0 HA VAL A 67 -4.752 4.161 -4.676 1.00 10.32 H new ATOM 0 HB VAL A 67 -6.260 6.729 -4.905 1.00 24.13 H new ATOM 0 HG11 VAL A 67 -6.142 6.805 -2.408 1.00 44.13 H new ATOM 0 HG12 VAL A 67 -7.125 5.440 -2.987 1.00 44.13 H new ATOM 0 HG13 VAL A 67 -5.467 5.159 -2.407 1.00 44.13 H new ATOM 0 HG21 VAL A 67 -4.261 7.630 -3.666 1.00 44.12 H new ATOM 0 HG22 VAL A 67 -3.521 6.012 -3.727 1.00 44.12 H new ATOM 0 HG23 VAL A 67 -3.803 6.920 -5.232 1.00 44.12 H new ATOM 996 N PRO A 68 -7.939 4.342 -5.710 1.00 11.41 N ATOM 997 CA PRO A 68 -9.162 3.553 -5.717 1.00 22.11 C ATOM 998 C PRO A 68 -9.063 2.251 -6.515 1.00 71.41 C ATOM 999 O PRO A 68 -9.935 1.399 -6.326 1.00 12.25 O ATOM 1000 CB PRO A 68 -10.246 4.466 -6.287 1.00 14.05 C ATOM 1001 CG PRO A 68 -9.454 5.451 -7.132 1.00 3.02 C ATOM 1002 CD PRO A 68 -8.190 5.640 -6.313 1.00 73.24 C ATOM 0 HA PRO A 68 -9.385 3.223 -4.702 1.00 22.11 H new ATOM 0 HB2 PRO A 68 -10.968 3.910 -6.885 1.00 14.05 H new ATOM 0 HB3 PRO A 68 -10.805 4.969 -5.498 1.00 14.05 H new ATOM 0 HG2 PRO A 68 -9.240 5.054 -8.124 1.00 3.02 H new ATOM 0 HG3 PRO A 68 -9.991 6.389 -7.273 1.00 3.02 H new ATOM 0 HD2 PRO A 68 -7.355 5.952 -6.941 1.00 73.24 H new ATOM 0 HD3 PRO A 68 -8.323 6.410 -5.553 1.00 73.24 H new ATOM 1007 N LEU A 69 -8.045 2.057 -7.367 1.00 51.43 N ATOM 1008 CA LEU A 69 -7.820 0.754 -7.986 1.00 70.51 C ATOM 1009 C LEU A 69 -7.543 -0.256 -6.892 1.00 22.13 C ATOM 1010 O LEU A 69 -8.327 -1.182 -6.726 1.00 63.31 O ATOM 1011 CB LEU A 69 -6.670 0.806 -8.988 1.00 41.43 C ATOM 1012 CG LEU A 69 -6.450 -0.507 -9.758 1.00 51.12 C ATOM 1013 CD1 LEU A 69 -7.711 -1.094 -10.397 1.00 13.34 C ATOM 1014 CD2 LEU A 69 -5.425 -0.186 -10.843 1.00 25.23 C ATOM 0 H LEU A 69 -7.376 2.778 -7.637 1.00 51.43 H new ATOM 0 HA LEU A 69 -8.709 0.459 -8.543 1.00 70.51 H new ATOM 0 HB2 LEU A 69 -6.861 1.607 -9.703 1.00 41.43 H new ATOM 0 HB3 LEU A 69 -5.752 1.063 -8.459 1.00 41.43 H new ATOM 0 HG LEU A 69 -6.119 -1.270 -9.054 1.00 51.12 H new ATOM 0 HD11 LEU A 69 -7.459 -2.018 -10.918 1.00 13.34 H new ATOM 0 HD12 LEU A 69 -8.448 -1.304 -9.622 1.00 13.34 H new ATOM 0 HD13 LEU A 69 -8.126 -0.379 -11.107 1.00 13.34 H new ATOM 0 HD21 LEU A 69 -5.223 -1.082 -11.430 1.00 25.23 H new ATOM 0 HD22 LEU A 69 -5.818 0.594 -11.495 1.00 25.23 H new ATOM 0 HD23 LEU A 69 -4.501 0.160 -10.380 1.00 25.23 H new ATOM 1025 N ALA A 70 -6.487 -0.015 -6.110 1.00 53.21 N ATOM 1026 CA ALA A 70 -6.058 -0.880 -5.013 1.00 62.43 C ATOM 1027 C ALA A 70 -7.194 -1.171 -4.025 1.00 70.41 C ATOM 1028 O ALA A 70 -7.278 -2.286 -3.511 1.00 71.50 O ATOM 1029 CB ALA A 70 -4.870 -0.248 -4.285 1.00 64.30 C ATOM 0 H ALA A 70 -5.894 0.807 -6.227 1.00 53.21 H new ATOM 0 HA ALA A 70 -5.756 -1.834 -5.445 1.00 62.43 H new ATOM 0 HB1 ALA A 70 -4.556 -0.898 -3.469 1.00 64.30 H new ATOM 0 HB2 ALA A 70 -4.043 -0.117 -4.983 1.00 64.30 H new ATOM 0 HB3 ALA A 70 -5.163 0.722 -3.884 1.00 64.30 H new ATOM 1035 N ILE A 71 -8.087 -0.203 -3.787 1.00 65.40 N ATOM 1036 CA ILE A 71 -9.300 -0.388 -2.991 1.00 70.53 C ATOM 1037 C ILE A 71 -10.126 -1.515 -3.614 1.00 63.52 C ATOM 1038 O ILE A 71 -10.427 -2.507 -2.951 1.00 4.05 O ATOM 1039 CB ILE A 71 -10.067 0.955 -2.872 1.00 50.10 C ATOM 1040 CG1 ILE A 71 -9.235 1.919 -1.996 1.00 24.33 C ATOM 1041 CG2 ILE A 71 -11.503 0.743 -2.359 1.00 32.25 C ATOM 1042 CD1 ILE A 71 -9.839 3.310 -1.764 1.00 33.41 C ATOM 0 H ILE A 71 -7.983 0.745 -4.149 1.00 65.40 H new ATOM 0 HA ILE A 71 -9.061 -0.686 -1.970 1.00 70.53 H new ATOM 0 HB ILE A 71 -10.187 1.409 -3.856 1.00 50.10 H new ATOM 0 HG12 ILE A 71 -9.074 1.449 -1.026 1.00 24.33 H new ATOM 0 HG13 ILE A 71 -8.255 2.043 -2.457 1.00 24.33 H new ATOM 0 HG21 ILE A 71 -12.010 1.705 -2.288 1.00 32.25 H new ATOM 0 HG22 ILE A 71 -12.045 0.097 -3.050 1.00 32.25 H new ATOM 0 HG23 ILE A 71 -11.472 0.276 -1.375 1.00 32.25 H new ATOM 0 HD11 ILE A 71 -9.169 3.898 -1.137 1.00 33.41 H new ATOM 0 HD12 ILE A 71 -9.973 3.813 -2.722 1.00 33.41 H new ATOM 0 HD13 ILE A 71 -10.805 3.209 -1.268 1.00 33.41 H new ATOM 1053 N GLY A 72 -10.439 -1.396 -4.904 1.00 63.30 N ATOM 1054 CA GLY A 72 -11.150 -2.406 -5.670 1.00 70.44 C ATOM 1055 C GLY A 72 -10.351 -3.696 -5.885 1.00 14.32 C ATOM 1056 O GLY A 72 -10.860 -4.611 -6.536 1.00 50.40 O ATOM 0 H GLY A 72 -10.197 -0.572 -5.454 1.00 63.30 H new ATOM 0 HA2 GLY A 72 -12.082 -2.648 -5.158 1.00 70.44 H new ATOM 0 HA3 GLY A 72 -11.418 -1.990 -6.641 1.00 70.44 H new ATOM 1060 N LEU A 73 -9.113 -3.809 -5.391 1.00 65.50 N ATOM 1061 CA LEU A 73 -8.324 -5.037 -5.438 1.00 72.24 C ATOM 1062 C LEU A 73 -8.356 -5.772 -4.091 1.00 43.04 C ATOM 1063 O LEU A 73 -7.734 -6.823 -3.987 1.00 72.40 O ATOM 1064 CB LEU A 73 -6.866 -4.780 -5.873 1.00 32.45 C ATOM 1065 CG LEU A 73 -6.638 -4.013 -7.191 1.00 51.13 C ATOM 1066 CD1 LEU A 73 -5.184 -4.158 -7.636 1.00 70.32 C ATOM 1067 CD2 LEU A 73 -7.565 -4.412 -8.346 1.00 73.24 C ATOM 0 H LEU A 73 -8.626 -3.034 -4.940 1.00 65.50 H new ATOM 0 HA LEU A 73 -8.786 -5.673 -6.193 1.00 72.24 H new ATOM 0 HB2 LEU A 73 -6.369 -4.230 -5.074 1.00 32.45 H new ATOM 0 HB3 LEU A 73 -6.365 -5.745 -5.955 1.00 32.45 H new ATOM 0 HG LEU A 73 -6.881 -2.976 -6.960 1.00 51.13 H new ATOM 0 HD11 LEU A 73 -5.033 -3.613 -8.568 1.00 70.32 H new ATOM 0 HD12 LEU A 73 -4.526 -3.753 -6.867 1.00 70.32 H new ATOM 0 HD13 LEU A 73 -4.954 -5.212 -7.791 1.00 70.32 H new ATOM 0 HD21 LEU A 73 -7.326 -3.817 -9.227 1.00 73.24 H new ATOM 0 HD22 LEU A 73 -7.428 -5.469 -8.574 1.00 73.24 H new ATOM 0 HD23 LEU A 73 -8.601 -4.234 -8.059 1.00 73.24 H new ATOM 1078 N THR A 74 -9.082 -5.282 -3.073 1.00 73.30 N ATOM 1079 CA THR A 74 -9.069 -5.831 -1.709 1.00 32.55 C ATOM 1080 C THR A 74 -9.263 -7.358 -1.637 1.00 44.22 C ATOM 1081 O THR A 74 -8.728 -7.998 -0.728 1.00 1.33 O ATOM 1082 CB THR A 74 -10.048 -5.054 -0.804 1.00 51.34 C ATOM 1083 OG1 THR A 74 -9.947 -5.480 0.543 1.00 12.34 O ATOM 1084 CG2 THR A 74 -11.514 -5.184 -1.234 1.00 31.32 C ATOM 0 H THR A 74 -9.704 -4.480 -3.177 1.00 73.30 H new ATOM 0 HA THR A 74 -8.061 -5.681 -1.323 1.00 32.55 H new ATOM 0 HB THR A 74 -9.754 -4.009 -0.903 1.00 51.34 H new ATOM 0 HG1 THR A 74 -9.004 -5.616 0.773 1.00 12.34 H new ATOM 0 HG21 THR A 74 -12.145 -4.613 -0.553 1.00 31.32 H new ATOM 0 HG22 THR A 74 -11.632 -4.799 -2.247 1.00 31.32 H new ATOM 0 HG23 THR A 74 -11.809 -6.233 -1.208 1.00 31.32 H new ATOM 1092 N GLY A 75 -10.005 -7.936 -2.586 1.00 22.12 N ATOM 1093 CA GLY A 75 -10.353 -9.348 -2.611 1.00 53.31 C ATOM 1094 C GLY A 75 -9.497 -10.187 -3.559 1.00 21.52 C ATOM 1095 O GLY A 75 -9.773 -11.377 -3.723 1.00 63.12 O ATOM 0 H GLY A 75 -10.387 -7.416 -3.376 1.00 22.12 H new ATOM 0 HA2 GLY A 75 -10.261 -9.751 -1.603 1.00 53.31 H new ATOM 0 HA3 GLY A 75 -11.399 -9.448 -2.900 1.00 53.31 H new ATOM 1099 N GLN A 76 -8.502 -9.602 -4.229 1.00 1.01 N ATOM 1100 CA GLN A 76 -7.441 -10.353 -4.895 1.00 13.21 C ATOM 1101 C GLN A 76 -6.464 -10.864 -3.830 1.00 1.14 C ATOM 1102 O GLN A 76 -6.635 -10.589 -2.643 1.00 33.31 O ATOM 1103 CB GLN A 76 -6.750 -9.479 -5.952 1.00 72.31 C ATOM 1104 CG GLN A 76 -7.723 -8.897 -6.988 1.00 2.04 C ATOM 1105 CD GLN A 76 -7.023 -8.132 -8.110 1.00 14.05 C ATOM 1106 OE1 GLN A 76 -5.943 -7.587 -7.938 1.00 14.35 O ATOM 1107 NE2 GLN A 76 -7.630 -8.035 -9.281 1.00 70.42 N ATOM 0 H GLN A 76 -8.411 -8.591 -4.324 1.00 1.01 H new ATOM 0 HA GLN A 76 -7.854 -11.212 -5.424 1.00 13.21 H new ATOM 0 HB2 GLN A 76 -6.229 -8.662 -5.454 1.00 72.31 H new ATOM 0 HB3 GLN A 76 -5.994 -10.072 -6.467 1.00 72.31 H new ATOM 0 HG2 GLN A 76 -8.310 -9.707 -7.421 1.00 2.04 H new ATOM 0 HG3 GLN A 76 -8.423 -8.230 -6.485 1.00 2.04 H new ATOM 0 HE21 GLN A 76 -8.532 -8.489 -9.427 1.00 70.42 H new ATOM 0 HE22 GLN A 76 -7.197 -7.506 -10.038 1.00 70.42 H new ATOM 1114 N ARG A 77 -5.462 -11.656 -4.221 1.00 53.30 N ATOM 1115 CA ARG A 77 -4.404 -12.082 -3.311 1.00 25.15 C ATOM 1116 C ARG A 77 -3.130 -12.361 -4.088 1.00 74.50 C ATOM 1117 O ARG A 77 -3.140 -13.092 -5.078 1.00 4.22 O ATOM 1118 CB ARG A 77 -4.839 -13.273 -2.447 1.00 22.55 C ATOM 1119 CG ARG A 77 -5.536 -14.393 -3.229 1.00 11.01 C ATOM 1120 CD ARG A 77 -5.448 -15.717 -2.470 1.00 70.41 C ATOM 1121 NE ARG A 77 -6.237 -15.717 -1.224 1.00 30.25 N ATOM 1122 CZ ARG A 77 -6.162 -16.607 -0.224 1.00 51.13 C ATOM 1123 NH1 ARG A 77 -5.262 -17.586 -0.222 1.00 41.32 N ATOM 1124 NH2 ARG A 77 -7.000 -16.498 0.798 1.00 54.22 N ATOM 0 H ARG A 77 -5.364 -12.016 -5.170 1.00 53.30 H new ATOM 0 HA ARG A 77 -4.198 -11.269 -2.615 1.00 25.15 H new ATOM 0 HB2 ARG A 77 -3.962 -13.685 -1.947 1.00 22.55 H new ATOM 0 HB3 ARG A 77 -5.512 -12.916 -1.667 1.00 22.55 H new ATOM 0 HG2 ARG A 77 -6.581 -14.132 -3.395 1.00 11.01 H new ATOM 0 HG3 ARG A 77 -5.075 -14.499 -4.211 1.00 11.01 H new ATOM 0 HD2 ARG A 77 -5.796 -16.524 -3.115 1.00 70.41 H new ATOM 0 HD3 ARG A 77 -4.405 -15.926 -2.234 1.00 70.41 H new ATOM 0 HE ARG A 77 -6.911 -14.960 -1.111 1.00 30.25 H new ATOM 0 HH11 ARG A 77 -4.604 -17.675 -0.996 1.00 41.32 H new ATOM 0 HH12 ARG A 77 -5.230 -18.248 0.554 1.00 41.32 H new ATOM 0 HH21 ARG A 77 -7.688 -15.745 0.815 1.00 54.22 H new ATOM 0 HH22 ARG A 77 -6.956 -17.167 1.567 1.00 54.22 H new ATOM 1135 N VAL A 78 -2.016 -11.820 -3.614 1.00 24.33 N ATOM 1136 CA VAL A 78 -0.687 -12.131 -4.095 1.00 61.10 C ATOM 1137 C VAL A 78 -0.254 -13.389 -3.373 1.00 31.52 C ATOM 1138 O VAL A 78 0.291 -13.333 -2.276 1.00 52.13 O ATOM 1139 CB VAL A 78 0.265 -10.930 -3.907 1.00 31.35 C ATOM 1140 CG1 VAL A 78 1.645 -11.198 -4.528 1.00 62.40 C ATOM 1141 CG2 VAL A 78 -0.348 -9.699 -4.576 1.00 10.44 C ATOM 0 H VAL A 78 -2.018 -11.132 -2.861 1.00 24.33 H new ATOM 0 HA VAL A 78 -0.669 -12.317 -5.169 1.00 61.10 H new ATOM 0 HB VAL A 78 0.398 -10.767 -2.838 1.00 31.35 H new ATOM 0 HG11 VAL A 78 2.287 -10.331 -4.376 1.00 62.40 H new ATOM 0 HG12 VAL A 78 2.095 -12.070 -4.053 1.00 62.40 H new ATOM 0 HG13 VAL A 78 1.533 -11.384 -5.596 1.00 62.40 H new ATOM 0 HG21 VAL A 78 0.318 -8.846 -4.448 1.00 10.44 H new ATOM 0 HG22 VAL A 78 -0.487 -9.894 -5.639 1.00 10.44 H new ATOM 0 HG23 VAL A 78 -1.312 -9.478 -4.118 1.00 10.44 H new ATOM 1151 N LEU A 79 -0.535 -14.550 -3.965 1.00 61.43 N ATOM 1152 CA LEU A 79 0.040 -15.818 -3.500 1.00 24.14 C ATOM 1153 C LEU A 79 -0.361 -16.085 -2.040 1.00 30.31 C ATOM 1154 O LEU A 79 0.439 -16.542 -1.217 1.00 73.13 O ATOM 1155 CB LEU A 79 1.572 -15.789 -3.704 1.00 14.01 C ATOM 1156 CG LEU A 79 2.065 -15.236 -5.060 1.00 61.40 C ATOM 1157 CD1 LEU A 79 3.550 -14.895 -4.979 1.00 71.22 C ATOM 1158 CD2 LEU A 79 1.778 -16.215 -6.198 1.00 4.24 C ATOM 0 H LEU A 79 -1.157 -14.641 -4.768 1.00 61.43 H new ATOM 0 HA LEU A 79 -0.356 -16.647 -4.086 1.00 24.14 H new ATOM 0 HB2 LEU A 79 2.013 -15.189 -2.908 1.00 14.01 H new ATOM 0 HB3 LEU A 79 1.953 -16.804 -3.588 1.00 14.01 H new ATOM 0 HG LEU A 79 1.514 -14.321 -5.280 1.00 61.40 H new ATOM 0 HD11 LEU A 79 3.887 -14.506 -5.940 1.00 71.22 H new ATOM 0 HD12 LEU A 79 3.709 -14.142 -4.207 1.00 71.22 H new ATOM 0 HD13 LEU A 79 4.117 -15.793 -4.732 1.00 71.22 H new ATOM 0 HD21 LEU A 79 2.137 -15.796 -7.138 1.00 4.24 H new ATOM 0 HD22 LEU A 79 2.288 -17.159 -6.003 1.00 4.24 H new ATOM 0 HD23 LEU A 79 0.704 -16.390 -6.266 1.00 4.24 H new ATOM 1169 N GLY A 80 -1.603 -15.717 -1.710 1.00 5.35 N ATOM 1170 CA GLY A 80 -2.169 -15.796 -0.372 1.00 24.14 C ATOM 1171 C GLY A 80 -2.129 -14.485 0.414 1.00 74.21 C ATOM 1172 O GLY A 80 -2.561 -14.475 1.561 1.00 2.13 O ATOM 0 H GLY A 80 -2.260 -15.344 -2.396 1.00 5.35 H new ATOM 0 HA2 GLY A 80 -3.205 -16.127 -0.449 1.00 24.14 H new ATOM 0 HA3 GLY A 80 -1.631 -16.559 0.191 1.00 24.14 H new ATOM 1176 N VAL A 81 -1.660 -13.388 -0.184 1.00 43.33 N ATOM 1177 CA VAL A 81 -1.540 -12.067 0.427 1.00 50.23 C ATOM 1178 C VAL A 81 -2.592 -11.120 -0.170 1.00 74.34 C ATOM 1179 O VAL A 81 -2.289 -10.455 -1.161 1.00 61.20 O ATOM 1180 CB VAL A 81 -0.098 -11.544 0.267 1.00 43.32 C ATOM 1181 CG1 VAL A 81 0.064 -10.128 0.818 1.00 43.13 C ATOM 1182 CG2 VAL A 81 0.882 -12.500 0.958 1.00 11.42 C ATOM 0 H VAL A 81 -1.339 -13.399 -1.152 1.00 43.33 H new ATOM 0 HA VAL A 81 -1.737 -12.127 1.497 1.00 50.23 H new ATOM 0 HB VAL A 81 0.123 -11.502 -0.799 1.00 43.32 H new ATOM 0 HG11 VAL A 81 1.095 -9.801 0.684 1.00 43.13 H new ATOM 0 HG12 VAL A 81 -0.603 -9.451 0.284 1.00 43.13 H new ATOM 0 HG13 VAL A 81 -0.184 -10.120 1.879 1.00 43.13 H new ATOM 0 HG21 VAL A 81 1.899 -12.125 0.842 1.00 11.42 H new ATOM 0 HG22 VAL A 81 0.639 -12.566 2.018 1.00 11.42 H new ATOM 0 HG23 VAL A 81 0.806 -13.489 0.506 1.00 11.42 H new ATOM 1192 N PRO A 82 -3.831 -11.080 0.347 1.00 71.42 N ATOM 1193 CA PRO A 82 -4.813 -10.048 0.006 1.00 33.23 C ATOM 1194 C PRO A 82 -4.395 -8.649 0.494 1.00 72.50 C ATOM 1195 O PRO A 82 -3.323 -8.474 1.084 1.00 32.12 O ATOM 1196 CB PRO A 82 -6.127 -10.533 0.633 1.00 32.23 C ATOM 1197 CG PRO A 82 -5.670 -11.380 1.821 1.00 73.13 C ATOM 1198 CD PRO A 82 -4.371 -12.001 1.335 1.00 31.43 C ATOM 0 HA PRO A 82 -4.909 -9.922 -1.072 1.00 33.23 H new ATOM 0 HB2 PRO A 82 -6.750 -9.698 0.953 1.00 32.23 H new ATOM 0 HB3 PRO A 82 -6.716 -11.118 -0.073 1.00 32.23 H new ATOM 0 HG2 PRO A 82 -5.515 -10.771 2.712 1.00 73.13 H new ATOM 0 HG3 PRO A 82 -6.407 -12.141 2.079 1.00 73.13 H new ATOM 0 HD2 PRO A 82 -3.673 -12.141 2.160 1.00 31.43 H new ATOM 0 HD3 PRO A 82 -4.548 -12.983 0.897 1.00 31.43 H new ATOM 1203 N ILE A 83 -5.236 -7.632 0.267 1.00 42.24 N ATOM 1204 CA ILE A 83 -4.961 -6.242 0.637 1.00 43.12 C ATOM 1205 C ILE A 83 -6.189 -5.620 1.311 1.00 5.02 C ATOM 1206 O ILE A 83 -7.324 -5.990 1.016 1.00 3.04 O ATOM 1207 CB ILE A 83 -4.434 -5.459 -0.594 1.00 63.10 C ATOM 1208 CG1 ILE A 83 -3.997 -4.040 -0.176 1.00 21.54 C ATOM 1209 CG2 ILE A 83 -5.405 -5.418 -1.790 1.00 4.41 C ATOM 1210 CD1 ILE A 83 -3.230 -3.294 -1.267 1.00 70.40 C ATOM 0 H ILE A 83 -6.141 -7.756 -0.187 1.00 42.24 H new ATOM 0 HA ILE A 83 -4.165 -6.195 1.380 1.00 43.12 H new ATOM 0 HB ILE A 83 -3.570 -6.015 -0.957 1.00 63.10 H new ATOM 0 HG12 ILE A 83 -4.880 -3.462 0.097 1.00 21.54 H new ATOM 0 HG13 ILE A 83 -3.373 -4.108 0.715 1.00 21.54 H new ATOM 0 HG21 ILE A 83 -4.955 -4.851 -2.605 1.00 4.41 H new ATOM 0 HG22 ILE A 83 -5.611 -6.434 -2.126 1.00 4.41 H new ATOM 0 HG23 ILE A 83 -6.336 -4.940 -1.486 1.00 4.41 H new ATOM 0 HD11 ILE A 83 -2.954 -2.304 -0.905 1.00 70.40 H new ATOM 0 HD12 ILE A 83 -2.329 -3.851 -1.524 1.00 70.40 H new ATOM 0 HD13 ILE A 83 -3.860 -3.195 -2.151 1.00 70.40 H new ATOM 1221 N ILE A 84 -5.975 -4.683 2.239 1.00 13.22 N ATOM 1222 CA ILE A 84 -7.050 -3.966 2.915 1.00 4.32 C ATOM 1223 C ILE A 84 -7.339 -2.700 2.106 1.00 33.43 C ATOM 1224 O ILE A 84 -6.411 -2.017 1.677 1.00 54.41 O ATOM 1225 CB ILE A 84 -6.654 -3.644 4.379 1.00 70.45 C ATOM 1226 CG1 ILE A 84 -6.228 -4.879 5.200 1.00 22.44 C ATOM 1227 CG2 ILE A 84 -7.799 -2.954 5.133 1.00 1.33 C ATOM 1228 CD1 ILE A 84 -7.266 -5.998 5.275 1.00 73.42 C ATOM 0 H ILE A 84 -5.042 -4.402 2.542 1.00 13.22 H new ATOM 0 HA ILE A 84 -7.952 -4.576 2.969 1.00 4.32 H new ATOM 0 HB ILE A 84 -5.794 -2.981 4.285 1.00 70.45 H new ATOM 0 HG12 ILE A 84 -5.312 -5.283 4.770 1.00 22.44 H new ATOM 0 HG13 ILE A 84 -5.990 -4.557 6.214 1.00 22.44 H new ATOM 0 HG21 ILE A 84 -7.486 -2.743 6.156 1.00 1.33 H new ATOM 0 HG22 ILE A 84 -8.054 -2.020 4.632 1.00 1.33 H new ATOM 0 HG23 ILE A 84 -8.671 -3.608 5.148 1.00 1.33 H new ATOM 0 HD11 ILE A 84 -6.872 -6.820 5.873 1.00 73.42 H new ATOM 0 HD12 ILE A 84 -8.178 -5.618 5.736 1.00 73.42 H new ATOM 0 HD13 ILE A 84 -7.489 -6.355 4.270 1.00 73.42 H new ATOM 1239 N VAL A 85 -8.618 -2.351 1.981 1.00 14.42 N ATOM 1240 CA VAL A 85 -9.138 -1.111 1.406 1.00 25.50 C ATOM 1241 C VAL A 85 -8.517 0.177 1.979 1.00 50.44 C ATOM 1242 O VAL A 85 -8.592 1.203 1.320 1.00 31.30 O ATOM 1243 CB VAL A 85 -10.676 -1.154 1.578 1.00 54.05 C ATOM 1244 CG1 VAL A 85 -11.390 0.189 1.400 1.00 70.31 C ATOM 1245 CG2 VAL A 85 -11.290 -2.189 0.633 1.00 12.12 C ATOM 0 H VAL A 85 -9.367 -2.966 2.299 1.00 14.42 H new ATOM 0 HA VAL A 85 -8.856 -1.064 0.354 1.00 25.50 H new ATOM 0 HB VAL A 85 -10.831 -1.435 2.620 1.00 54.05 H new ATOM 0 HG11 VAL A 85 -12.462 0.052 1.540 1.00 70.31 H new ATOM 0 HG12 VAL A 85 -11.016 0.900 2.136 1.00 70.31 H new ATOM 0 HG13 VAL A 85 -11.201 0.571 0.397 1.00 70.31 H new ATOM 0 HG21 VAL A 85 -12.372 -2.207 0.766 1.00 12.12 H new ATOM 0 HG22 VAL A 85 -11.056 -1.924 -0.398 1.00 12.12 H new ATOM 0 HG23 VAL A 85 -10.881 -3.174 0.857 1.00 12.12 H new ATOM 1255 N GLN A 86 -7.880 0.142 3.151 1.00 12.11 N ATOM 1256 CA GLN A 86 -7.432 1.307 3.913 1.00 21.52 C ATOM 1257 C GLN A 86 -6.755 2.371 3.048 1.00 31.30 C ATOM 1258 O GLN A 86 -7.109 3.537 3.171 1.00 63.13 O ATOM 1259 CB GLN A 86 -6.478 0.844 5.027 1.00 54.23 C ATOM 1260 CG GLN A 86 -7.222 0.523 6.329 1.00 54.11 C ATOM 1261 CD GLN A 86 -7.633 1.790 7.076 1.00 51.24 C ATOM 1262 OE1 GLN A 86 -8.814 2.116 7.175 1.00 70.11 O ATOM 1263 NE2 GLN A 86 -6.674 2.527 7.604 1.00 43.22 N ATOM 0 H GLN A 86 -7.653 -0.738 3.614 1.00 12.11 H new ATOM 0 HA GLN A 86 -8.319 1.778 4.338 1.00 21.52 H new ATOM 0 HB2 GLN A 86 -5.934 -0.040 4.694 1.00 54.23 H new ATOM 0 HB3 GLN A 86 -5.738 1.621 5.216 1.00 54.23 H new ATOM 0 HG2 GLN A 86 -8.109 -0.070 6.104 1.00 54.11 H new ATOM 0 HG3 GLN A 86 -6.585 -0.086 6.970 1.00 54.11 H new ATOM 0 HE21 GLN A 86 -5.700 2.239 7.511 1.00 43.22 H new ATOM 0 HE22 GLN A 86 -6.907 3.384 8.105 1.00 43.22 H new ATOM 1270 N ALA A 87 -5.820 1.967 2.176 1.00 45.21 N ATOM 1271 CA ALA A 87 -5.195 2.848 1.190 1.00 52.11 C ATOM 1272 C ALA A 87 -4.563 4.092 1.842 1.00 5.24 C ATOM 1273 O ALA A 87 -4.739 5.217 1.390 1.00 63.44 O ATOM 1274 CB ALA A 87 -6.193 3.169 0.070 1.00 62.31 C ATOM 0 H ALA A 87 -5.475 1.008 2.139 1.00 45.21 H new ATOM 0 HA ALA A 87 -4.356 2.327 0.728 1.00 52.11 H new ATOM 0 HB1 ALA A 87 -5.721 3.826 -0.661 1.00 62.31 H new ATOM 0 HB2 ALA A 87 -6.501 2.245 -0.418 1.00 62.31 H new ATOM 0 HB3 ALA A 87 -7.067 3.665 0.492 1.00 62.31 H new ATOM 1280 N SER A 88 -3.760 3.849 2.883 1.00 62.25 N ATOM 1281 CA SER A 88 -3.213 4.864 3.782 1.00 34.53 C ATOM 1282 C SER A 88 -4.345 5.622 4.493 1.00 43.14 C ATOM 1283 O SER A 88 -5.397 5.042 4.754 1.00 65.54 O ATOM 1284 CB SER A 88 -2.085 5.664 3.097 1.00 22.22 C ATOM 1285 OG SER A 88 -2.542 6.667 2.218 1.00 61.33 O ATOM 0 H SER A 88 -3.464 2.905 3.130 1.00 62.25 H new ATOM 0 HA SER A 88 -2.679 4.417 4.621 1.00 34.53 H new ATOM 0 HB2 SER A 88 -1.463 6.125 3.865 1.00 22.22 H new ATOM 0 HB3 SER A 88 -1.449 4.973 2.544 1.00 22.22 H new ATOM 0 HG SER A 88 -3.363 6.366 1.776 1.00 61.33 H new ATOM 1290 N GLN A 89 -4.076 6.852 4.919 1.00 74.31 N ATOM 1291 CA GLN A 89 -4.972 7.814 5.532 1.00 5.03 C ATOM 1292 C GLN A 89 -5.902 7.252 6.633 1.00 4.22 C ATOM 1293 O GLN A 89 -5.573 6.261 7.298 1.00 62.43 O ATOM 1294 CB GLN A 89 -5.679 8.632 4.448 1.00 64.33 C ATOM 1295 CG GLN A 89 -4.806 9.224 3.336 1.00 13.14 C ATOM 1296 CD GLN A 89 -5.367 10.558 2.837 1.00 12.04 C ATOM 1297 OE1 GLN A 89 -6.576 10.761 2.755 1.00 24.50 O ATOM 1298 NE2 GLN A 89 -4.530 11.546 2.586 1.00 10.41 N ATOM 0 H GLN A 89 -3.133 7.232 4.833 1.00 74.31 H new ATOM 0 HA GLN A 89 -4.354 8.498 6.114 1.00 5.03 H new ATOM 0 HB2 GLN A 89 -6.433 7.997 3.983 1.00 64.33 H new ATOM 0 HB3 GLN A 89 -6.208 9.451 4.934 1.00 64.33 H new ATOM 0 HG2 GLN A 89 -3.791 9.370 3.707 1.00 13.14 H new ATOM 0 HG3 GLN A 89 -4.744 8.520 2.506 1.00 13.14 H new ATOM 0 HE21 GLN A 89 -3.524 11.391 2.650 1.00 10.41 H new ATOM 0 HE22 GLN A 89 -4.889 12.465 2.327 1.00 10.41 H new ATOM 1305 N ALA A 90 -6.955 8.010 6.986 1.00 11.33 N ATOM 1306 CA ALA A 90 -7.950 7.613 7.982 1.00 70.54 C ATOM 1307 C ALA A 90 -9.300 8.308 7.830 1.00 25.14 C ATOM 1308 O ALA A 90 -10.050 8.404 8.800 1.00 21.20 O ATOM 1309 CB ALA A 90 -7.427 7.899 9.389 1.00 22.33 C ATOM 0 H ALA A 90 -7.136 8.927 6.578 1.00 11.33 H new ATOM 0 HA ALA A 90 -8.111 6.547 7.818 1.00 70.54 H new ATOM 0 HB1 ALA A 90 -8.175 7.600 10.123 1.00 22.33 H new ATOM 0 HB2 ALA A 90 -6.509 7.337 9.557 1.00 22.33 H new ATOM 0 HB3 ALA A 90 -7.224 8.965 9.492 1.00 22.33 H new ATOM 1315 N GLU A 91 -9.586 8.864 6.661 1.00 1.33 N ATOM 1316 CA GLU A 91 -10.651 9.852 6.475 1.00 50.33 C ATOM 1317 C GLU A 91 -10.518 11.033 7.462 1.00 64.51 C ATOM 1318 O GLU A 91 -11.495 11.472 8.073 1.00 12.23 O ATOM 1319 CB GLU A 91 -12.043 9.165 6.455 1.00 52.15 C ATOM 1320 CG GLU A 91 -12.848 9.534 5.198 1.00 31.50 C ATOM 1321 CD GLU A 91 -14.233 10.133 5.426 1.00 74.32 C ATOM 1322 OE1 GLU A 91 -15.048 9.545 6.175 1.00 43.23 O ATOM 1323 OE2 GLU A 91 -14.552 11.118 4.716 1.00 45.11 O ATOM 0 H GLU A 91 -9.082 8.642 5.802 1.00 1.33 H new ATOM 0 HA GLU A 91 -10.542 10.312 5.493 1.00 50.33 H new ATOM 0 HB2 GLU A 91 -11.914 8.083 6.499 1.00 52.15 H new ATOM 0 HB3 GLU A 91 -12.604 9.456 7.343 1.00 52.15 H new ATOM 0 HG2 GLU A 91 -12.262 10.243 4.614 1.00 31.50 H new ATOM 0 HG3 GLU A 91 -12.961 8.637 4.590 1.00 31.50 H new ATOM 1328 N LYS A 92 -9.292 11.551 7.632 1.00 70.14 N ATOM 1329 CA LYS A 92 -8.979 12.698 8.494 1.00 5.10 C ATOM 1330 C LYS A 92 -7.922 13.579 7.848 1.00 30.20 C ATOM 1331 O LYS A 92 -8.173 14.753 7.562 1.00 12.21 O ATOM 1332 CB LYS A 92 -8.511 12.269 9.901 1.00 33.43 C ATOM 1333 CG LYS A 92 -9.557 11.444 10.650 1.00 22.44 C ATOM 1334 CD LYS A 92 -9.260 11.353 12.154 1.00 54.41 C ATOM 1335 CE LYS A 92 -10.275 10.530 12.969 1.00 2.24 C ATOM 1336 NZ LYS A 92 -11.537 10.200 12.259 1.00 51.42 N ATOM 0 H LYS A 92 -8.470 11.173 7.161 1.00 70.14 H new ATOM 0 HA LYS A 92 -9.904 13.263 8.612 1.00 5.10 H new ATOM 0 HB2 LYS A 92 -7.593 11.688 9.812 1.00 33.43 H new ATOM 0 HB3 LYS A 92 -8.270 13.157 10.485 1.00 33.43 H new ATOM 0 HG2 LYS A 92 -10.541 11.889 10.503 1.00 22.44 H new ATOM 0 HG3 LYS A 92 -9.595 10.440 10.228 1.00 22.44 H new ATOM 0 HD2 LYS A 92 -8.270 10.917 12.288 1.00 54.41 H new ATOM 0 HD3 LYS A 92 -9.221 12.363 12.563 1.00 54.41 H new ATOM 0 HE2 LYS A 92 -9.798 9.601 13.280 1.00 2.24 H new ATOM 0 HE3 LYS A 92 -10.521 11.082 13.876 1.00 2.24 H new ATOM 0 HZ1 LYS A 92 -12.168 9.676 12.898 1.00 51.42 H new ATOM 0 HZ2 LYS A 92 -12.004 11.078 11.955 1.00 51.42 H new ATOM 0 HZ3 LYS A 92 -11.324 9.615 11.426 1.00 51.42 H new ATOM 1346 N ASN A 93 -6.743 12.985 7.679 1.00 50.41 N ATOM 1347 CA ASN A 93 -5.460 13.601 7.352 1.00 72.42 C ATOM 1348 C ASN A 93 -5.206 14.860 8.184 1.00 24.13 C ATOM 1349 O ASN A 93 -5.119 15.979 7.664 1.00 71.34 O ATOM 1350 CB ASN A 93 -5.291 13.812 5.842 1.00 70.34 C ATOM 1351 CG ASN A 93 -3.834 14.077 5.473 1.00 51.12 C ATOM 1352 OD1 ASN A 93 -2.932 14.153 6.305 1.00 74.14 O ATOM 1353 ND2 ASN A 93 -3.536 14.126 4.194 1.00 44.22 N ATOM 0 H ASN A 93 -6.654 11.974 7.776 1.00 50.41 H new ATOM 0 HA ASN A 93 -4.675 12.899 7.634 1.00 72.42 H new ATOM 0 HB2 ASN A 93 -5.648 12.931 5.308 1.00 70.34 H new ATOM 0 HB3 ASN A 93 -5.907 14.651 5.520 1.00 70.34 H new ATOM 0 HD21 ASN A 93 -2.564 14.226 3.900 1.00 44.22 H new ATOM 0 HD22 ASN A 93 -4.276 14.064 3.495 1.00 44.22 H new ATOM 1359 N ARG A 94 -5.113 14.689 9.502 1.00 2.13 N ATOM 1360 CA ARG A 94 -4.833 15.754 10.445 1.00 10.01 C ATOM 1361 C ARG A 94 -4.041 15.131 11.568 1.00 23.21 C ATOM 1362 O ARG A 94 -4.530 14.117 12.114 1.00 32.44 O ATOM 1363 CB ARG A 94 -6.144 16.354 10.950 1.00 45.35 C ATOM 1364 CG ARG A 94 -5.943 17.663 11.725 1.00 43.15 C ATOM 1365 CD ARG A 94 -6.966 17.867 12.847 1.00 50.32 C ATOM 1366 NE ARG A 94 -8.336 17.452 12.493 1.00 73.52 N ATOM 1367 CZ ARG A 94 -9.441 17.754 13.178 1.00 4.12 C ATOM 1368 NH1 ARG A 94 -9.412 18.657 14.148 1.00 72.33 N ATOM 1369 NH2 ARG A 94 -10.588 17.150 12.909 1.00 72.25 N ATOM 0 H ARG A 94 -5.235 13.780 9.948 1.00 2.13 H new ATOM 0 HA ARG A 94 -4.267 16.566 9.988 1.00 10.01 H new ATOM 0 HB2 ARG A 94 -6.804 16.537 10.102 1.00 45.35 H new ATOM 0 HB3 ARG A 94 -6.645 15.630 11.593 1.00 45.35 H new ATOM 0 HG2 ARG A 94 -4.940 17.674 12.151 1.00 43.15 H new ATOM 0 HG3 ARG A 94 -6.004 18.501 11.031 1.00 43.15 H new ATOM 0 HD2 ARG A 94 -6.643 17.307 13.725 1.00 50.32 H new ATOM 0 HD3 ARG A 94 -6.977 18.920 13.127 1.00 50.32 H new ATOM 0 HE ARG A 94 -8.449 16.885 11.652 1.00 73.52 H new ATOM 0 HH11 ARG A 94 -8.538 19.130 14.378 1.00 72.33 H new ATOM 0 HH12 ARG A 94 -10.263 18.879 14.664 1.00 72.33 H new ATOM 0 HH21 ARG A 94 -10.633 16.446 12.172 1.00 72.25 H new ATOM 0 HH22 ARG A 94 -11.426 17.388 13.439 1.00 72.25 H new TER 1380 ARG A 94