USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 695 hydrogens (44 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 87 ASN : amide:sc= -0.95 K(o=-3,f=-2.4!) USER MOD Set 1.2: A 89 ASN : amide:sc= -2.06 K(o=-3,f=-0.3) USER MOD Set 2.1: A 83 SER OG : rot -127:sc= 1.21 USER MOD Set 2.2: A 85 THR OG1 : rot -35:sc= 1.22 USER MOD Set 2.3: A 86 THR OG1 : rot -170:sc= -0.501 USER MOD Set 3.1: A 17 TYR OH : rot 119:sc= -0.833 USER MOD Set 3.2: A 66 ASN : amide:sc= -2.81 K(o=-3.6,f=-3.1!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 102:sc= 0.329 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 7:sc= 1.05 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0962 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.053) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00437 USER MOD Single : A 42 THR OG1 : rot 30:sc= 0.871 USER MOD Single : A 46 GLN : amide:sc= -0.563 K(o=-0.56,f=-3.7!) USER MOD Single : A 50 ASN : amide:sc= -2.77 K(o=-2.8,f=-3.9) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0.051 (180deg=-0.0355) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= -0.24 (180deg=-1.29) USER MOD Single : A 63 ASN : amide:sc= -3.97 K(o=-4,f=-7.6!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -0.389 (180deg=-0.42) USER MOD Single : A 77 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.0661 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.735 USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= 0.108 (180deg=0.0032) USER MOD Single : A 101 PGM O1 : rot 180:sc= 0 USER MOD Single : A 101 PGM O2 : rot 180:sc= 0 USER MOD Single : A 101 PGM O8 : rot -149:sc= -0.296 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.836 0.110 -0.350 1.00 71.54 N ATOM 2 CA ALA A 1 3.269 0.108 -1.742 1.00 62.51 C ATOM 3 C ALA A 1 3.920 -1.221 -2.113 1.00 34.03 C ATOM 4 O ALA A 1 4.894 -1.641 -1.488 1.00 31.31 O ATOM 5 CB ALA A 1 4.232 1.258 -1.997 1.00 30.13 C ATOM 0 H1 ALA A 1 2.397 1.025 -0.124 1.00 71.54 H new ATOM 0 H2 ALA A 1 2.144 -0.652 -0.201 1.00 71.54 H new ATOM 0 H3 ALA A 1 3.658 -0.042 0.269 1.00 71.54 H new ATOM 0 HA ALA A 1 2.388 0.240 -2.370 1.00 62.51 H new ATOM 0 HB1 ALA A 1 4.547 1.244 -3.040 1.00 30.13 H new ATOM 0 HB2 ALA A 1 3.735 2.204 -1.781 1.00 30.13 H new ATOM 0 HB3 ALA A 1 5.105 1.151 -1.353 1.00 30.13 H new ATOM 11 N ILE A 2 3.374 -1.878 -3.131 1.00 44.51 N ATOM 12 CA ILE A 2 3.903 -3.158 -3.584 1.00 74.32 C ATOM 13 C ILE A 2 5.144 -2.966 -4.448 1.00 61.25 C ATOM 14 O ILE A 2 5.659 -1.855 -4.575 1.00 72.24 O ATOM 15 CB ILE A 2 2.851 -3.950 -4.384 1.00 42.54 C ATOM 16 CG1 ILE A 2 2.562 -3.254 -5.716 1.00 43.32 C ATOM 17 CG2 ILE A 2 1.574 -4.103 -3.573 1.00 35.41 C ATOM 18 CD1 ILE A 2 1.541 -3.976 -6.566 1.00 72.23 C ATOM 0 H ILE A 2 2.566 -1.545 -3.657 1.00 44.51 H new ATOM 0 HA ILE A 2 4.170 -3.723 -2.691 1.00 74.32 H new ATOM 0 HB ILE A 2 3.247 -4.944 -4.593 1.00 42.54 H new ATOM 0 HG12 ILE A 2 2.208 -2.242 -5.519 1.00 43.32 H new ATOM 0 HG13 ILE A 2 3.491 -3.163 -6.278 1.00 43.32 H new ATOM 0 HG21 ILE A 2 0.841 -4.665 -4.152 1.00 35.41 H new ATOM 0 HG22 ILE A 2 1.792 -4.637 -2.648 1.00 35.41 H new ATOM 0 HG23 ILE A 2 1.172 -3.117 -3.337 1.00 35.41 H new ATOM 0 HD11 ILE A 2 1.386 -3.426 -7.494 1.00 72.23 H new ATOM 0 HD12 ILE A 2 1.901 -4.979 -6.794 1.00 72.23 H new ATOM 0 HD13 ILE A 2 0.598 -4.044 -6.023 1.00 72.23 H new ATOM 30 N SER A 3 5.619 -4.056 -5.043 1.00 24.15 N ATOM 31 CA SER A 3 6.802 -4.008 -5.894 1.00 62.51 C ATOM 32 C SER A 3 6.409 -3.888 -7.363 1.00 43.33 C ATOM 33 O SER A 3 5.839 -4.812 -7.944 1.00 14.14 O ATOM 34 CB SER A 3 7.658 -5.259 -5.684 1.00 42.04 C ATOM 35 OG SER A 3 7.658 -5.655 -4.324 1.00 33.21 O ATOM 0 H SER A 3 5.203 -4.983 -4.951 1.00 24.15 H new ATOM 0 HA SER A 3 7.383 -3.128 -5.618 1.00 62.51 H new ATOM 0 HB2 SER A 3 7.277 -6.072 -6.303 1.00 42.04 H new ATOM 0 HB3 SER A 3 8.680 -5.063 -6.009 1.00 42.04 H new ATOM 0 HG SER A 3 8.211 -6.457 -4.217 1.00 33.21 H new ATOM 41 N CYS A 4 6.719 -2.741 -7.960 1.00 31.43 N ATOM 42 CA CYS A 4 6.399 -2.497 -9.361 1.00 11.12 C ATOM 43 C CYS A 4 6.927 -3.624 -10.244 1.00 43.51 C ATOM 44 O CYS A 4 6.321 -3.969 -11.257 1.00 74.10 O ATOM 45 CB CYS A 4 6.988 -1.160 -9.814 1.00 52.43 C ATOM 46 SG CYS A 4 6.159 -0.437 -11.267 1.00 3.32 S ATOM 0 H CYS A 4 7.192 -1.966 -7.494 1.00 31.43 H new ATOM 0 HA CYS A 4 5.314 -2.461 -9.460 1.00 11.12 H new ATOM 0 HB2 CYS A 4 6.932 -0.452 -8.987 1.00 52.43 H new ATOM 0 HB3 CYS A 4 8.044 -1.300 -10.044 1.00 52.43 H new ATOM 51 N GLY A 5 8.063 -4.193 -9.852 1.00 11.05 N ATOM 52 CA GLY A 5 8.654 -5.274 -10.618 1.00 21.32 C ATOM 53 C GLY A 5 7.767 -6.502 -10.667 1.00 71.34 C ATOM 54 O GLY A 5 7.822 -7.278 -11.621 1.00 62.11 O ATOM 0 H GLY A 5 8.584 -3.924 -9.017 1.00 11.05 H new ATOM 0 HA2 GLY A 5 8.850 -4.931 -11.634 1.00 21.32 H new ATOM 0 HA3 GLY A 5 9.616 -5.542 -10.181 1.00 21.32 H new ATOM 58 N ALA A 6 6.947 -6.680 -9.636 1.00 63.35 N ATOM 59 CA ALA A 6 6.044 -7.822 -9.567 1.00 24.53 C ATOM 60 C ALA A 6 4.740 -7.537 -10.304 1.00 22.13 C ATOM 61 O ALA A 6 4.020 -8.457 -10.690 1.00 75.41 O ATOM 62 CB ALA A 6 5.764 -8.186 -8.116 1.00 65.21 C ATOM 0 H ALA A 6 6.890 -6.048 -8.837 1.00 63.35 H new ATOM 0 HA ALA A 6 6.529 -8.667 -10.055 1.00 24.53 H new ATOM 0 HB1 ALA A 6 5.088 -9.040 -8.079 1.00 65.21 H new ATOM 0 HB2 ALA A 6 6.699 -8.441 -7.618 1.00 65.21 H new ATOM 0 HB3 ALA A 6 5.304 -7.337 -7.610 1.00 65.21 H new ATOM 68 N VAL A 7 4.442 -6.256 -10.495 1.00 10.11 N ATOM 69 CA VAL A 7 3.224 -5.849 -11.186 1.00 23.30 C ATOM 70 C VAL A 7 3.292 -6.197 -12.669 1.00 10.41 C ATOM 71 O VAL A 7 2.380 -6.818 -13.215 1.00 61.33 O ATOM 72 CB VAL A 7 2.971 -4.337 -11.035 1.00 64.50 C ATOM 73 CG1 VAL A 7 1.653 -3.949 -11.686 1.00 52.22 C ATOM 74 CG2 VAL A 7 2.988 -3.939 -9.567 1.00 45.21 C ATOM 0 H VAL A 7 5.027 -5.482 -10.181 1.00 10.11 H new ATOM 0 HA VAL A 7 2.401 -6.395 -10.725 1.00 23.30 H new ATOM 0 HB VAL A 7 3.771 -3.799 -11.543 1.00 64.50 H new ATOM 0 HG11 VAL A 7 1.491 -2.877 -11.569 1.00 52.22 H new ATOM 0 HG12 VAL A 7 1.684 -4.198 -12.747 1.00 52.22 H new ATOM 0 HG13 VAL A 7 0.838 -4.493 -11.209 1.00 52.22 H new ATOM 0 HG21 VAL A 7 2.808 -2.868 -9.478 1.00 45.21 H new ATOM 0 HG22 VAL A 7 2.209 -4.483 -9.033 1.00 45.21 H new ATOM 0 HG23 VAL A 7 3.960 -4.180 -9.136 1.00 45.21 H new ATOM 84 N THR A 8 4.380 -5.791 -13.317 1.00 73.21 N ATOM 85 CA THR A 8 4.567 -6.059 -14.737 1.00 42.54 C ATOM 86 C THR A 8 4.946 -7.515 -14.977 1.00 63.43 C ATOM 87 O THR A 8 4.523 -8.123 -15.960 1.00 73.14 O ATOM 88 CB THR A 8 5.655 -5.151 -15.341 1.00 43.41 C ATOM 89 OG1 THR A 8 6.918 -5.420 -14.721 1.00 74.12 O ATOM 90 CG2 THR A 8 5.298 -3.683 -15.159 1.00 20.21 C ATOM 0 H THR A 8 5.144 -5.276 -12.881 1.00 73.21 H new ATOM 0 HA THR A 8 3.616 -5.849 -15.226 1.00 42.54 H new ATOM 0 HB THR A 8 5.722 -5.363 -16.408 1.00 43.41 H new ATOM 0 HG1 THR A 8 7.604 -4.840 -15.112 1.00 74.12 H new ATOM 0 HG21 THR A 8 6.081 -3.062 -15.593 1.00 20.21 H new ATOM 0 HG22 THR A 8 4.351 -3.474 -15.657 1.00 20.21 H new ATOM 0 HG23 THR A 8 5.206 -3.460 -14.096 1.00 20.21 H new ATOM 98 N SER A 9 5.746 -8.071 -14.073 1.00 3.44 N ATOM 99 CA SER A 9 6.185 -9.456 -14.188 1.00 61.41 C ATOM 100 C SER A 9 4.990 -10.405 -14.202 1.00 23.22 C ATOM 101 O SER A 9 4.946 -11.354 -14.985 1.00 51.34 O ATOM 102 CB SER A 9 7.122 -9.815 -13.033 1.00 0.20 C ATOM 103 OG SER A 9 8.466 -9.495 -13.348 1.00 50.53 O ATOM 0 H SER A 9 6.104 -7.583 -13.252 1.00 3.44 H new ATOM 0 HA SER A 9 6.724 -9.563 -15.129 1.00 61.41 H new ATOM 0 HB2 SER A 9 6.818 -9.279 -12.134 1.00 0.20 H new ATOM 0 HB3 SER A 9 7.041 -10.879 -12.812 1.00 0.20 H new ATOM 0 HG SER A 9 8.719 -8.663 -12.896 1.00 50.53 H new ATOM 109 N ASP A 10 4.024 -10.142 -13.329 1.00 41.11 N ATOM 110 CA ASP A 10 2.827 -10.971 -13.240 1.00 44.32 C ATOM 111 C ASP A 10 2.092 -11.009 -14.576 1.00 42.43 C ATOM 112 O ASP A 10 1.317 -11.927 -14.845 1.00 32.34 O ATOM 113 CB ASP A 10 1.897 -10.444 -12.147 1.00 33.44 C ATOM 114 CG ASP A 10 2.413 -10.745 -10.753 1.00 74.41 C ATOM 115 OD1 ASP A 10 3.333 -11.581 -10.628 1.00 51.53 O ATOM 116 OD2 ASP A 10 1.897 -10.145 -9.787 1.00 74.15 O ATOM 0 H ASP A 10 4.046 -9.361 -12.673 1.00 41.11 H new ATOM 0 HA ASP A 10 3.135 -11.985 -12.986 1.00 44.32 H new ATOM 0 HB2 ASP A 10 1.779 -9.367 -12.263 1.00 33.44 H new ATOM 0 HB3 ASP A 10 0.909 -10.888 -12.269 1.00 33.44 H new ATOM 121 N LEU A 11 2.340 -10.005 -15.410 1.00 53.35 N ATOM 122 CA LEU A 11 1.700 -9.922 -16.719 1.00 64.22 C ATOM 123 C LEU A 11 2.681 -10.289 -17.828 1.00 42.34 C ATOM 124 O LEU A 11 2.444 -9.999 -19.001 1.00 70.41 O ATOM 125 CB LEU A 11 1.152 -8.513 -16.953 1.00 30.42 C ATOM 126 CG LEU A 11 -0.119 -8.152 -16.183 1.00 51.14 C ATOM 127 CD1 LEU A 11 -0.648 -6.798 -16.632 1.00 23.31 C ATOM 128 CD2 LEU A 11 -1.179 -9.228 -16.368 1.00 62.34 C ATOM 0 H LEU A 11 2.979 -9.237 -15.204 1.00 53.35 H new ATOM 0 HA LEU A 11 0.875 -10.634 -16.738 1.00 64.22 H new ATOM 0 HB2 LEU A 11 1.928 -7.794 -16.691 1.00 30.42 H new ATOM 0 HB3 LEU A 11 0.954 -8.394 -18.018 1.00 30.42 H new ATOM 0 HG LEU A 11 0.127 -8.091 -15.123 1.00 51.14 H new ATOM 0 HD11 LEU A 11 -1.553 -6.557 -16.074 1.00 23.31 H new ATOM 0 HD12 LEU A 11 0.106 -6.033 -16.448 1.00 23.31 H new ATOM 0 HD13 LEU A 11 -0.877 -6.832 -17.697 1.00 23.31 H new ATOM 0 HD21 LEU A 11 -2.076 -8.954 -15.813 1.00 62.34 H new ATOM 0 HD22 LEU A 11 -1.422 -9.322 -17.427 1.00 62.34 H new ATOM 0 HD23 LEU A 11 -0.800 -10.180 -15.997 1.00 62.34 H new ATOM 140 N SER A 12 3.783 -10.929 -17.450 1.00 33.05 N ATOM 141 CA SER A 12 4.801 -11.334 -18.412 1.00 34.21 C ATOM 142 C SER A 12 4.192 -12.191 -19.518 1.00 40.31 C ATOM 143 O SER A 12 4.252 -11.856 -20.701 1.00 72.05 O ATOM 144 CB SER A 12 5.918 -12.107 -17.709 1.00 61.41 C ATOM 145 OG SER A 12 6.433 -13.130 -18.544 1.00 24.24 O ATOM 0 H SER A 12 3.994 -11.178 -16.484 1.00 33.05 H new ATOM 0 HA SER A 12 5.220 -10.434 -18.862 1.00 34.21 H new ATOM 0 HB2 SER A 12 6.719 -11.422 -17.431 1.00 61.41 H new ATOM 0 HB3 SER A 12 5.537 -12.544 -16.786 1.00 61.41 H new ATOM 0 HG SER A 12 7.147 -13.609 -18.073 1.00 24.24 H new ATOM 151 N PRO A 13 3.592 -13.324 -19.125 1.00 55.12 N ATOM 152 CA PRO A 13 2.960 -14.252 -20.067 1.00 75.51 C ATOM 153 C PRO A 13 1.689 -13.677 -20.684 1.00 30.43 C ATOM 154 O PRO A 13 1.180 -14.195 -21.679 1.00 4.32 O ATOM 155 CB PRO A 13 2.629 -15.469 -19.198 1.00 42.33 C ATOM 156 CG PRO A 13 2.505 -14.925 -17.817 1.00 24.11 C ATOM 157 CD PRO A 13 3.483 -13.786 -17.731 1.00 52.52 C ATOM 0 HA PRO A 13 3.609 -14.478 -20.913 1.00 75.51 H new ATOM 0 HB2 PRO A 13 1.703 -15.946 -19.520 1.00 42.33 H new ATOM 0 HB3 PRO A 13 3.414 -16.223 -19.258 1.00 42.33 H new ATOM 0 HG2 PRO A 13 1.489 -14.582 -17.622 1.00 24.11 H new ATOM 0 HG3 PRO A 13 2.731 -15.690 -17.074 1.00 24.11 H new ATOM 0 HD2 PRO A 13 3.122 -12.996 -17.073 1.00 52.52 H new ATOM 0 HD3 PRO A 13 4.446 -14.112 -17.339 1.00 52.52 H new ATOM 165 N CYS A 14 1.181 -12.604 -20.087 1.00 75.42 N ATOM 166 CA CYS A 14 -0.031 -11.958 -20.577 1.00 61.34 C ATOM 167 C CYS A 14 0.301 -10.917 -21.642 1.00 52.04 C ATOM 168 O CYS A 14 -0.507 -10.643 -22.531 1.00 42.51 O ATOM 169 CB CYS A 14 -0.786 -11.299 -19.421 1.00 62.05 C ATOM 170 SG CYS A 14 -1.268 -12.451 -18.095 1.00 71.13 S ATOM 0 H CYS A 14 1.590 -12.163 -19.263 1.00 75.42 H new ATOM 0 HA CYS A 14 -0.665 -12.723 -21.026 1.00 61.34 H new ATOM 0 HB2 CYS A 14 -0.163 -10.513 -18.996 1.00 62.05 H new ATOM 0 HB3 CYS A 14 -1.682 -10.818 -19.814 1.00 62.05 H new ATOM 175 N LEU A 15 1.494 -10.340 -21.547 1.00 32.54 N ATOM 176 CA LEU A 15 1.934 -9.329 -22.502 1.00 33.24 C ATOM 177 C LEU A 15 1.617 -9.756 -23.931 1.00 51.13 C ATOM 178 O LEU A 15 1.177 -8.947 -24.750 1.00 21.53 O ATOM 179 CB LEU A 15 3.435 -9.078 -22.353 1.00 63.21 C ATOM 180 CG LEU A 15 3.942 -7.724 -22.851 1.00 30.12 C ATOM 181 CD1 LEU A 15 3.205 -6.590 -22.156 1.00 33.04 C ATOM 182 CD2 LEU A 15 5.443 -7.602 -22.629 1.00 54.14 C ATOM 0 H LEU A 15 2.174 -10.555 -20.818 1.00 32.54 H new ATOM 0 HA LEU A 15 1.395 -8.405 -22.291 1.00 33.24 H new ATOM 0 HB2 LEU A 15 3.697 -9.176 -21.299 1.00 63.21 H new ATOM 0 HB3 LEU A 15 3.969 -9.863 -22.889 1.00 63.21 H new ATOM 0 HG LEU A 15 3.746 -7.655 -23.921 1.00 30.12 H new ATOM 0 HD11 LEU A 15 3.579 -5.634 -22.523 1.00 33.04 H new ATOM 0 HD12 LEU A 15 2.138 -6.667 -22.366 1.00 33.04 H new ATOM 0 HD13 LEU A 15 3.369 -6.655 -21.080 1.00 33.04 H new ATOM 0 HD21 LEU A 15 5.786 -6.632 -22.989 1.00 54.14 H new ATOM 0 HD22 LEU A 15 5.662 -7.692 -21.565 1.00 54.14 H new ATOM 0 HD23 LEU A 15 5.957 -8.394 -23.174 1.00 54.14 H new ATOM 194 N THR A 16 1.841 -11.033 -24.226 1.00 1.21 N ATOM 195 CA THR A 16 1.579 -11.568 -25.556 1.00 12.20 C ATOM 196 C THR A 16 0.150 -11.270 -25.996 1.00 60.43 C ATOM 197 O THR A 16 -0.073 -10.551 -26.971 1.00 24.52 O ATOM 198 CB THR A 16 1.813 -13.089 -25.606 1.00 30.53 C ATOM 199 OG1 THR A 16 3.182 -13.384 -25.307 1.00 61.44 O ATOM 200 CG2 THR A 16 1.455 -13.648 -26.975 1.00 3.41 C ATOM 0 H THR A 16 2.204 -11.716 -23.561 1.00 1.21 H new ATOM 0 HA THR A 16 2.276 -11.079 -26.237 1.00 12.20 H new ATOM 0 HB THR A 16 1.170 -13.558 -24.861 1.00 30.53 H new ATOM 0 HG1 THR A 16 3.322 -14.353 -25.339 1.00 61.44 H new ATOM 0 HG21 THR A 16 1.629 -14.724 -26.985 1.00 3.41 H new ATOM 0 HG22 THR A 16 0.405 -13.448 -27.186 1.00 3.41 H new ATOM 0 HG23 THR A 16 2.075 -13.173 -27.735 1.00 3.41 H new ATOM 208 N TYR A 17 -0.815 -11.827 -25.273 1.00 1.34 N ATOM 209 CA TYR A 17 -2.223 -11.622 -25.590 1.00 72.01 C ATOM 210 C TYR A 17 -2.601 -10.149 -25.466 1.00 33.25 C ATOM 211 O TYR A 17 -3.441 -9.646 -26.213 1.00 71.00 O ATOM 212 CB TYR A 17 -3.104 -12.466 -24.667 1.00 3.11 C ATOM 213 CG TYR A 17 -4.575 -12.131 -24.761 1.00 11.23 C ATOM 214 CD1 TYR A 17 -5.263 -11.622 -23.666 1.00 3.14 C ATOM 215 CD2 TYR A 17 -5.278 -12.324 -25.943 1.00 40.24 C ATOM 216 CE1 TYR A 17 -6.607 -11.315 -23.746 1.00 52.12 C ATOM 217 CE2 TYR A 17 -6.622 -12.018 -26.034 1.00 31.24 C ATOM 218 CZ TYR A 17 -7.282 -11.514 -24.932 1.00 73.23 C ATOM 219 OH TYR A 17 -8.622 -11.210 -25.018 1.00 4.13 O ATOM 0 H TYR A 17 -0.648 -12.424 -24.463 1.00 1.34 H new ATOM 0 HA TYR A 17 -2.386 -11.934 -26.622 1.00 72.01 H new ATOM 0 HB2 TYR A 17 -2.964 -13.520 -24.908 1.00 3.11 H new ATOM 0 HB3 TYR A 17 -2.774 -12.328 -23.637 1.00 3.11 H new ATOM 0 HD1 TYR A 17 -4.737 -11.464 -22.736 1.00 3.14 H new ATOM 0 HD2 TYR A 17 -4.765 -12.720 -26.807 1.00 40.24 H new ATOM 0 HE1 TYR A 17 -7.126 -10.921 -22.885 1.00 52.12 H new ATOM 0 HE2 TYR A 17 -7.153 -12.172 -26.962 1.00 31.24 H new ATOM 0 HH TYR A 17 -8.758 -10.519 -25.700 1.00 4.13 H new ATOM 229 N LEU A 18 -1.975 -9.463 -24.516 1.00 41.12 N ATOM 230 CA LEU A 18 -2.244 -8.047 -24.292 1.00 44.43 C ATOM 231 C LEU A 18 -1.706 -7.202 -25.443 1.00 53.21 C ATOM 232 O LEU A 18 -2.142 -6.069 -25.653 1.00 73.43 O ATOM 233 CB LEU A 18 -1.616 -7.591 -22.974 1.00 14.43 C ATOM 234 CG LEU A 18 -2.244 -8.159 -21.700 1.00 44.22 C ATOM 235 CD1 LEU A 18 -1.596 -7.548 -20.467 1.00 43.35 C ATOM 236 CD2 LEU A 18 -3.746 -7.916 -21.691 1.00 42.13 C ATOM 0 H LEU A 18 -1.278 -9.864 -23.889 1.00 41.12 H new ATOM 0 HA LEU A 18 -3.324 -7.911 -24.239 1.00 44.43 H new ATOM 0 HB2 LEU A 18 -0.560 -7.860 -22.986 1.00 14.43 H new ATOM 0 HB3 LEU A 18 -1.668 -6.503 -22.927 1.00 14.43 H new ATOM 0 HG LEU A 18 -2.070 -9.235 -21.681 1.00 44.22 H new ATOM 0 HD11 LEU A 18 -2.056 -7.964 -19.570 1.00 43.35 H new ATOM 0 HD12 LEU A 18 -0.530 -7.774 -20.466 1.00 43.35 H new ATOM 0 HD13 LEU A 18 -1.738 -6.467 -20.479 1.00 43.35 H new ATOM 0 HD21 LEU A 18 -4.176 -8.327 -20.777 1.00 42.13 H new ATOM 0 HD22 LEU A 18 -3.941 -6.845 -21.734 1.00 42.13 H new ATOM 0 HD23 LEU A 18 -4.198 -8.402 -22.555 1.00 42.13 H new ATOM 248 N THR A 19 -0.758 -7.761 -26.188 1.00 44.32 N ATOM 249 CA THR A 19 -0.161 -7.060 -27.318 1.00 54.14 C ATOM 250 C THR A 19 -0.772 -7.522 -28.636 1.00 74.23 C ATOM 251 O THR A 19 -0.137 -7.447 -29.687 1.00 3.32 O ATOM 252 CB THR A 19 1.363 -7.272 -27.370 1.00 64.21 C ATOM 253 OG1 THR A 19 1.663 -8.672 -27.382 1.00 71.42 O ATOM 254 CG2 THR A 19 2.042 -6.613 -26.179 1.00 22.43 C ATOM 0 H THR A 19 -0.387 -8.698 -26.029 1.00 44.32 H new ATOM 0 HA THR A 19 -0.368 -5.999 -27.176 1.00 54.14 H new ATOM 0 HB THR A 19 1.740 -6.812 -28.283 1.00 64.21 H new ATOM 0 HG1 THR A 19 0.832 -9.184 -27.473 1.00 71.42 H new ATOM 0 HG21 THR A 19 3.118 -6.776 -26.237 1.00 22.43 H new ATOM 0 HG22 THR A 19 1.836 -5.543 -26.189 1.00 22.43 H new ATOM 0 HG23 THR A 19 1.659 -7.047 -25.256 1.00 22.43 H new ATOM 262 N GLY A 20 -2.011 -8.001 -28.573 1.00 54.24 N ATOM 263 CA GLY A 20 -2.688 -8.468 -29.769 1.00 43.14 C ATOM 264 C GLY A 20 -2.429 -9.936 -30.046 1.00 50.41 C ATOM 265 O GLY A 20 -3.049 -10.527 -30.929 1.00 44.44 O ATOM 0 H GLY A 20 -2.558 -8.074 -27.715 1.00 54.24 H new ATOM 0 HA2 GLY A 20 -3.761 -8.305 -29.663 1.00 43.14 H new ATOM 0 HA3 GLY A 20 -2.359 -7.877 -30.623 1.00 43.14 H new ATOM 269 N GLY A 21 -1.509 -10.526 -29.289 1.00 44.24 N ATOM 270 CA GLY A 21 -1.184 -11.928 -29.474 1.00 71.15 C ATOM 271 C GLY A 21 -2.325 -12.844 -29.079 1.00 31.30 C ATOM 272 O GLY A 21 -3.375 -12.399 -28.615 1.00 1.01 O ATOM 0 H GLY A 21 -0.983 -10.058 -28.551 1.00 44.24 H new ATOM 0 HA2 GLY A 21 -0.926 -12.103 -30.518 1.00 71.15 H new ATOM 0 HA3 GLY A 21 -0.302 -12.175 -28.882 1.00 71.15 H new ATOM 276 N PRO A 22 -2.126 -14.158 -29.264 1.00 41.24 N ATOM 277 CA PRO A 22 -3.136 -15.166 -28.931 1.00 71.41 C ATOM 278 C PRO A 22 -3.338 -15.310 -27.426 1.00 42.34 C ATOM 279 O PRO A 22 -2.413 -15.099 -26.643 1.00 44.14 O ATOM 280 CB PRO A 22 -2.557 -16.456 -29.518 1.00 40.02 C ATOM 281 CG PRO A 22 -1.085 -16.229 -29.553 1.00 51.31 C ATOM 282 CD PRO A 22 -0.899 -14.759 -29.813 1.00 70.41 C ATOM 0 HA PRO A 22 -4.118 -14.904 -29.326 1.00 71.41 H new ATOM 0 HB2 PRO A 22 -2.810 -17.319 -28.903 1.00 40.02 H new ATOM 0 HB3 PRO A 22 -2.952 -16.649 -30.516 1.00 40.02 H new ATOM 0 HG2 PRO A 22 -0.623 -16.520 -28.610 1.00 51.31 H new ATOM 0 HG3 PRO A 22 -0.616 -16.826 -30.335 1.00 51.31 H new ATOM 0 HD2 PRO A 22 -0.007 -14.373 -29.319 1.00 70.41 H new ATOM 0 HD3 PRO A 22 -0.790 -14.550 -30.877 1.00 70.41 H new ATOM 290 N GLY A 23 -4.554 -15.670 -27.028 1.00 72.25 N ATOM 291 CA GLY A 23 -4.855 -15.836 -25.618 1.00 43.24 C ATOM 292 C GLY A 23 -6.267 -15.406 -25.272 1.00 64.31 C ATOM 293 O GLY A 23 -7.140 -15.314 -26.135 1.00 64.23 O ATOM 0 H GLY A 23 -5.337 -15.850 -27.657 1.00 72.25 H new ATOM 0 HA2 GLY A 23 -4.719 -16.881 -25.341 1.00 43.24 H new ATOM 0 HA3 GLY A 23 -4.147 -15.255 -25.028 1.00 43.24 H new ATOM 297 N PRO A 24 -6.507 -15.136 -23.980 1.00 71.35 N ATOM 298 CA PRO A 24 -5.476 -15.243 -22.944 1.00 61.01 C ATOM 299 C PRO A 24 -5.078 -16.689 -22.669 1.00 61.11 C ATOM 300 O PRO A 24 -5.934 -17.560 -22.513 1.00 51.41 O ATOM 301 CB PRO A 24 -6.146 -14.629 -21.712 1.00 71.43 C ATOM 302 CG PRO A 24 -7.606 -14.811 -21.945 1.00 73.43 C ATOM 303 CD PRO A 24 -7.805 -14.707 -23.432 1.00 45.32 C ATOM 0 HA PRO A 24 -4.552 -14.745 -23.236 1.00 61.01 H new ATOM 0 HB2 PRO A 24 -5.826 -15.128 -20.797 1.00 71.43 H new ATOM 0 HB3 PRO A 24 -5.890 -13.575 -21.606 1.00 71.43 H new ATOM 0 HG2 PRO A 24 -7.943 -15.779 -21.573 1.00 73.43 H new ATOM 0 HG3 PRO A 24 -8.183 -14.050 -21.420 1.00 73.43 H new ATOM 0 HD2 PRO A 24 -8.618 -15.348 -23.775 1.00 45.32 H new ATOM 0 HD3 PRO A 24 -8.052 -13.689 -23.734 1.00 45.32 H new ATOM 311 N SER A 25 -3.774 -16.938 -22.610 1.00 65.14 N ATOM 312 CA SER A 25 -3.262 -18.280 -22.357 1.00 72.13 C ATOM 313 C SER A 25 -3.556 -18.712 -20.924 1.00 34.20 C ATOM 314 O SER A 25 -3.878 -17.899 -20.057 1.00 74.41 O ATOM 315 CB SER A 25 -1.756 -18.332 -22.619 1.00 23.43 C ATOM 316 OG SER A 25 -1.154 -17.070 -22.390 1.00 52.21 O ATOM 0 H SER A 25 -3.052 -16.228 -22.734 1.00 65.14 H new ATOM 0 HA SER A 25 -3.765 -18.968 -23.036 1.00 72.13 H new ATOM 0 HB2 SER A 25 -1.297 -19.080 -21.972 1.00 23.43 H new ATOM 0 HB3 SER A 25 -1.573 -18.644 -23.647 1.00 23.43 H new ATOM 0 HG SER A 25 -0.191 -17.131 -22.563 1.00 52.21 H new ATOM 322 N PRO A 26 -3.444 -20.024 -20.667 1.00 44.13 N ATOM 323 CA PRO A 26 -3.692 -20.595 -19.340 1.00 75.15 C ATOM 324 C PRO A 26 -2.618 -20.205 -18.331 1.00 33.42 C ATOM 325 O PRO A 26 -2.892 -20.083 -17.137 1.00 42.32 O ATOM 326 CB PRO A 26 -3.666 -22.105 -19.594 1.00 10.45 C ATOM 327 CG PRO A 26 -2.820 -22.270 -20.808 1.00 63.33 C ATOM 328 CD PRO A 26 -3.064 -21.050 -21.653 1.00 22.24 C ATOM 0 HA PRO A 26 -4.628 -20.237 -18.910 1.00 75.15 H new ATOM 0 HB2 PRO A 26 -3.247 -22.642 -18.743 1.00 10.45 H new ATOM 0 HB3 PRO A 26 -4.670 -22.497 -19.755 1.00 10.45 H new ATOM 0 HG2 PRO A 26 -1.767 -22.355 -20.541 1.00 63.33 H new ATOM 0 HG3 PRO A 26 -3.086 -23.178 -21.348 1.00 63.33 H new ATOM 0 HD2 PRO A 26 -2.172 -20.762 -22.210 1.00 22.24 H new ATOM 0 HD3 PRO A 26 -3.855 -21.218 -22.383 1.00 22.24 H new ATOM 336 N GLN A 27 -1.397 -20.012 -18.818 1.00 21.10 N ATOM 337 CA GLN A 27 -0.282 -19.636 -17.957 1.00 31.35 C ATOM 338 C GLN A 27 -0.367 -18.164 -17.568 1.00 21.04 C ATOM 339 O GLN A 27 0.107 -17.764 -16.504 1.00 10.32 O ATOM 340 CB GLN A 27 1.048 -19.915 -18.658 1.00 44.10 C ATOM 341 CG GLN A 27 1.205 -21.356 -19.115 1.00 70.32 C ATOM 342 CD GLN A 27 2.475 -21.581 -19.911 1.00 62.25 C ATOM 343 OE1 GLN A 27 3.478 -22.059 -19.380 1.00 61.14 O ATOM 344 NE2 GLN A 27 2.439 -21.237 -21.194 1.00 22.35 N ATOM 0 H GLN A 27 -1.155 -20.110 -19.804 1.00 21.10 H new ATOM 0 HA GLN A 27 -0.338 -20.236 -17.049 1.00 31.35 H new ATOM 0 HB2 GLN A 27 1.139 -19.257 -19.522 1.00 44.10 H new ATOM 0 HB3 GLN A 27 1.865 -19.666 -17.981 1.00 44.10 H new ATOM 0 HG2 GLN A 27 1.206 -22.011 -18.244 1.00 70.32 H new ATOM 0 HG3 GLN A 27 0.345 -21.636 -19.723 1.00 70.32 H new ATOM 0 HE21 GLN A 27 1.586 -20.844 -21.593 1.00 22.35 H new ATOM 0 HE22 GLN A 27 3.264 -21.366 -21.780 1.00 22.35 H new ATOM 353 N CYS A 28 -0.973 -17.362 -18.436 1.00 40.32 N ATOM 354 CA CYS A 28 -1.120 -15.933 -18.185 1.00 24.20 C ATOM 355 C CYS A 28 -2.160 -15.676 -17.098 1.00 44.13 C ATOM 356 O CYS A 28 -1.901 -14.956 -16.134 1.00 3.25 O ATOM 357 CB CYS A 28 -1.519 -15.206 -19.471 1.00 22.23 C ATOM 358 SG CYS A 28 -2.531 -13.716 -19.199 1.00 32.42 S ATOM 0 H CYS A 28 -1.371 -17.677 -19.321 1.00 40.32 H new ATOM 0 HA CYS A 28 -0.159 -15.549 -17.842 1.00 24.20 H new ATOM 0 HB2 CYS A 28 -0.616 -14.925 -20.012 1.00 22.23 H new ATOM 0 HB3 CYS A 28 -2.071 -15.896 -20.109 1.00 22.23 H new ATOM 363 N CYS A 29 -3.337 -16.270 -17.262 1.00 11.42 N ATOM 364 CA CYS A 29 -4.417 -16.106 -16.296 1.00 52.14 C ATOM 365 C CYS A 29 -3.927 -16.385 -14.879 1.00 24.23 C ATOM 366 O CYS A 29 -4.376 -15.759 -13.920 1.00 75.00 O ATOM 367 CB CYS A 29 -5.581 -17.039 -16.638 1.00 42.43 C ATOM 368 SG CYS A 29 -6.598 -16.475 -18.041 1.00 22.43 S ATOM 0 H CYS A 29 -3.567 -16.869 -18.055 1.00 11.42 H new ATOM 0 HA CYS A 29 -4.761 -15.073 -16.345 1.00 52.14 H new ATOM 0 HB2 CYS A 29 -5.185 -18.029 -16.865 1.00 42.43 H new ATOM 0 HB3 CYS A 29 -6.218 -17.144 -15.760 1.00 42.43 H new ATOM 373 N GLY A 30 -3.000 -17.331 -14.754 1.00 51.14 N ATOM 374 CA GLY A 30 -2.463 -17.677 -13.451 1.00 54.12 C ATOM 375 C GLY A 30 -1.903 -16.475 -12.717 1.00 55.20 C ATOM 376 O GLY A 30 -2.114 -16.319 -11.515 1.00 22.41 O ATOM 0 H GLY A 30 -2.612 -17.864 -15.532 1.00 51.14 H new ATOM 0 HA2 GLY A 30 -3.247 -18.134 -12.848 1.00 54.12 H new ATOM 0 HA3 GLY A 30 -1.678 -18.423 -13.572 1.00 54.12 H new ATOM 380 N GLY A 31 -1.186 -15.622 -13.442 1.00 1.30 N ATOM 381 CA GLY A 31 -0.603 -14.439 -12.835 1.00 33.43 C ATOM 382 C GLY A 31 -1.630 -13.354 -12.577 1.00 62.21 C ATOM 383 O GLY A 31 -1.615 -12.713 -11.527 1.00 14.54 O ATOM 0 H GLY A 31 -0.998 -15.729 -14.439 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -0.126 -14.715 -11.894 1.00 33.43 H new ATOM 0 HA3 GLY A 31 0.179 -14.048 -13.486 1.00 33.43 H new ATOM 387 N VAL A 32 -2.523 -13.147 -13.539 1.00 53.42 N ATOM 388 CA VAL A 32 -3.562 -12.131 -13.412 1.00 4.10 C ATOM 389 C VAL A 32 -4.298 -12.261 -12.083 1.00 44.12 C ATOM 390 O VAL A 32 -4.562 -11.267 -11.407 1.00 2.51 O ATOM 391 CB VAL A 32 -4.581 -12.224 -14.562 1.00 55.44 C ATOM 392 CG1 VAL A 32 -5.678 -11.184 -14.389 1.00 72.01 C ATOM 393 CG2 VAL A 32 -3.886 -12.058 -15.905 1.00 61.01 C ATOM 0 H VAL A 32 -2.548 -13.669 -14.415 1.00 53.42 H new ATOM 0 HA VAL A 32 -3.065 -11.162 -13.455 1.00 4.10 H new ATOM 0 HB VAL A 32 -5.042 -13.212 -14.536 1.00 55.44 H new ATOM 0 HG11 VAL A 32 -6.389 -11.265 -15.211 1.00 72.01 H new ATOM 0 HG12 VAL A 32 -6.195 -11.354 -13.444 1.00 72.01 H new ATOM 0 HG13 VAL A 32 -5.237 -10.187 -14.387 1.00 72.01 H new ATOM 0 HG21 VAL A 32 -4.622 -12.127 -16.706 1.00 61.01 H new ATOM 0 HG22 VAL A 32 -3.397 -11.085 -15.944 1.00 61.01 H new ATOM 0 HG23 VAL A 32 -3.141 -12.844 -16.029 1.00 61.01 H new ATOM 403 N LYS A 33 -4.627 -13.494 -11.714 1.00 5.04 N ATOM 404 CA LYS A 33 -5.331 -13.757 -10.464 1.00 40.52 C ATOM 405 C LYS A 33 -4.467 -13.383 -9.264 1.00 31.43 C ATOM 406 O LYS A 33 -4.939 -12.752 -8.318 1.00 74.10 O ATOM 407 CB LYS A 33 -5.730 -15.232 -10.380 1.00 50.41 C ATOM 408 CG LYS A 33 -6.680 -15.668 -11.482 1.00 32.44 C ATOM 409 CD LYS A 33 -6.439 -17.113 -11.886 1.00 64.01 C ATOM 410 CE LYS A 33 -7.506 -17.608 -12.849 1.00 74.24 C ATOM 411 NZ LYS A 33 -7.832 -19.044 -12.626 1.00 70.11 N ATOM 0 H LYS A 33 -4.417 -14.328 -12.263 1.00 5.04 H new ATOM 0 HA LYS A 33 -6.231 -13.142 -10.446 1.00 40.52 H new ATOM 0 HB2 LYS A 33 -4.831 -15.846 -10.423 1.00 50.41 H new ATOM 0 HB3 LYS A 33 -6.198 -15.419 -9.413 1.00 50.41 H new ATOM 0 HG2 LYS A 33 -7.710 -15.551 -11.144 1.00 32.44 H new ATOM 0 HG3 LYS A 33 -6.554 -15.021 -12.350 1.00 32.44 H new ATOM 0 HD2 LYS A 33 -5.457 -17.203 -12.351 1.00 64.01 H new ATOM 0 HD3 LYS A 33 -6.429 -17.744 -10.997 1.00 64.01 H new ATOM 0 HE2 LYS A 33 -8.408 -17.008 -12.731 1.00 74.24 H new ATOM 0 HE3 LYS A 33 -7.163 -17.469 -13.874 1.00 74.24 H new ATOM 0 HZ1 LYS A 33 -8.563 -19.343 -13.302 1.00 70.11 H new ATOM 0 HZ2 LYS A 33 -6.977 -19.620 -12.764 1.00 70.11 H new ATOM 0 HZ3 LYS A 33 -8.184 -19.174 -11.656 1.00 70.11 H new ATOM 425 N LYS A 34 -3.199 -13.776 -9.308 1.00 64.34 N ATOM 426 CA LYS A 34 -2.267 -13.481 -8.226 1.00 71.12 C ATOM 427 C LYS A 34 -2.087 -11.976 -8.059 1.00 13.34 C ATOM 428 O LYS A 34 -2.024 -11.469 -6.938 1.00 5.23 O ATOM 429 CB LYS A 34 -0.913 -14.140 -8.497 1.00 62.24 C ATOM 430 CG LYS A 34 0.155 -13.775 -7.481 1.00 64.52 C ATOM 431 CD LYS A 34 1.193 -14.877 -7.344 1.00 4.34 C ATOM 432 CE LYS A 34 0.736 -15.956 -6.374 1.00 51.13 C ATOM 433 NZ LYS A 34 1.877 -16.771 -5.873 1.00 11.00 N ATOM 0 H LYS A 34 -2.792 -14.300 -10.083 1.00 64.34 H new ATOM 0 HA LYS A 34 -2.682 -13.885 -7.302 1.00 71.12 H new ATOM 0 HB2 LYS A 34 -1.040 -15.223 -8.505 1.00 62.24 H new ATOM 0 HB3 LYS A 34 -0.571 -13.852 -9.491 1.00 62.24 H new ATOM 0 HG2 LYS A 34 0.644 -12.849 -7.782 1.00 64.52 H new ATOM 0 HG3 LYS A 34 -0.310 -13.590 -6.513 1.00 64.52 H new ATOM 0 HD2 LYS A 34 1.384 -15.322 -8.321 1.00 4.34 H new ATOM 0 HD3 LYS A 34 2.135 -14.450 -6.998 1.00 4.34 H new ATOM 0 HE2 LYS A 34 0.223 -15.493 -5.531 1.00 51.13 H new ATOM 0 HE3 LYS A 34 0.014 -16.607 -6.868 1.00 51.13 H new ATOM 0 HZ1 LYS A 34 1.524 -17.495 -5.215 1.00 11.00 H new ATOM 0 HZ2 LYS A 34 2.352 -17.234 -6.675 1.00 11.00 H new ATOM 0 HZ3 LYS A 34 2.553 -16.155 -5.379 1.00 11.00 H new ATOM 447 N LEU A 35 -2.008 -11.266 -9.178 1.00 44.25 N ATOM 448 CA LEU A 35 -1.837 -9.817 -9.156 1.00 22.15 C ATOM 449 C LEU A 35 -3.077 -9.132 -8.591 1.00 40.52 C ATOM 450 O LEU A 35 -2.986 -8.324 -7.666 1.00 11.14 O ATOM 451 CB LEU A 35 -1.548 -9.295 -10.564 1.00 73.53 C ATOM 452 CG LEU A 35 -1.628 -7.780 -10.748 1.00 40.41 C ATOM 453 CD1 LEU A 35 -0.830 -7.068 -9.667 1.00 30.15 C ATOM 454 CD2 LEU A 35 -1.129 -7.383 -12.130 1.00 2.12 C ATOM 0 H LEU A 35 -2.060 -11.670 -10.113 1.00 44.25 H new ATOM 0 HA LEU A 35 -0.990 -9.586 -8.510 1.00 22.15 H new ATOM 0 HB2 LEU A 35 -0.550 -9.624 -10.854 1.00 73.53 H new ATOM 0 HB3 LEU A 35 -2.250 -9.762 -11.254 1.00 73.53 H new ATOM 0 HG LEU A 35 -2.671 -7.478 -10.660 1.00 40.41 H new ATOM 0 HD11 LEU A 35 -0.899 -5.990 -9.814 1.00 30.15 H new ATOM 0 HD12 LEU A 35 -1.233 -7.327 -8.688 1.00 30.15 H new ATOM 0 HD13 LEU A 35 0.214 -7.376 -9.723 1.00 30.15 H new ATOM 0 HD21 LEU A 35 -1.193 -6.301 -12.243 1.00 2.12 H new ATOM 0 HD22 LEU A 35 -0.092 -7.699 -12.247 1.00 2.12 H new ATOM 0 HD23 LEU A 35 -1.743 -7.864 -12.891 1.00 2.12 H new ATOM 466 N LEU A 36 -4.235 -9.460 -9.153 1.00 12.13 N ATOM 467 CA LEU A 36 -5.495 -8.878 -8.704 1.00 53.52 C ATOM 468 C LEU A 36 -5.805 -9.290 -7.269 1.00 12.33 C ATOM 469 O LEU A 36 -6.488 -8.571 -6.540 1.00 0.13 O ATOM 470 CB LEU A 36 -6.636 -9.308 -9.628 1.00 11.21 C ATOM 471 CG LEU A 36 -6.652 -8.669 -11.017 1.00 62.43 C ATOM 472 CD1 LEU A 36 -7.706 -9.326 -11.895 1.00 33.04 C ATOM 473 CD2 LEU A 36 -6.899 -7.172 -10.913 1.00 54.52 C ATOM 0 H LEU A 36 -4.328 -10.126 -9.920 1.00 12.13 H new ATOM 0 HA LEU A 36 -5.398 -7.793 -8.737 1.00 53.52 H new ATOM 0 HB2 LEU A 36 -6.591 -10.390 -9.748 1.00 11.21 H new ATOM 0 HB3 LEU A 36 -7.581 -9.081 -9.135 1.00 11.21 H new ATOM 0 HG LEU A 36 -5.677 -8.824 -11.478 1.00 62.43 H new ATOM 0 HD11 LEU A 36 -7.703 -8.858 -12.879 1.00 33.04 H new ATOM 0 HD12 LEU A 36 -7.484 -10.388 -11.997 1.00 33.04 H new ATOM 0 HD13 LEU A 36 -8.688 -9.203 -11.438 1.00 33.04 H new ATOM 0 HD21 LEU A 36 -6.907 -6.734 -11.911 1.00 54.52 H new ATOM 0 HD22 LEU A 36 -7.861 -6.994 -10.431 1.00 54.52 H new ATOM 0 HD23 LEU A 36 -6.107 -6.713 -10.322 1.00 54.52 H new ATOM 485 N ALA A 37 -5.297 -10.451 -6.869 1.00 3.30 N ATOM 486 CA ALA A 37 -5.515 -10.956 -5.520 1.00 35.45 C ATOM 487 C ALA A 37 -4.864 -10.050 -4.481 1.00 40.50 C ATOM 488 O ALA A 37 -5.329 -9.957 -3.345 1.00 44.13 O ATOM 489 CB ALA A 37 -4.980 -12.375 -5.394 1.00 71.13 C ATOM 0 H ALA A 37 -4.731 -11.060 -7.461 1.00 3.30 H new ATOM 0 HA ALA A 37 -6.589 -10.966 -5.333 1.00 35.45 H new ATOM 0 HB1 ALA A 37 -5.150 -12.739 -4.381 1.00 71.13 H new ATOM 0 HB2 ALA A 37 -5.495 -13.022 -6.103 1.00 71.13 H new ATOM 0 HB3 ALA A 37 -3.911 -12.381 -5.607 1.00 71.13 H new ATOM 495 N ALA A 38 -3.785 -9.383 -4.878 1.00 50.20 N ATOM 496 CA ALA A 38 -3.071 -8.482 -3.982 1.00 23.33 C ATOM 497 C ALA A 38 -3.701 -7.094 -3.982 1.00 44.41 C ATOM 498 O ALA A 38 -3.797 -6.445 -2.941 1.00 32.23 O ATOM 499 CB ALA A 38 -1.604 -8.399 -4.377 1.00 3.35 C ATOM 0 H ALA A 38 -3.386 -9.450 -5.814 1.00 50.20 H new ATOM 0 HA ALA A 38 -3.142 -8.883 -2.971 1.00 23.33 H new ATOM 0 HB1 ALA A 38 -1.083 -7.723 -3.700 1.00 3.35 H new ATOM 0 HB2 ALA A 38 -1.155 -9.390 -4.317 1.00 3.35 H new ATOM 0 HB3 ALA A 38 -1.523 -8.024 -5.397 1.00 3.35 H new ATOM 505 N ALA A 39 -4.127 -6.643 -5.157 1.00 51.33 N ATOM 506 CA ALA A 39 -4.749 -5.331 -5.292 1.00 61.35 C ATOM 507 C ALA A 39 -6.250 -5.406 -5.035 1.00 20.31 C ATOM 508 O ALA A 39 -7.049 -5.438 -5.970 1.00 2.51 O ATOM 509 CB ALA A 39 -4.477 -4.758 -6.675 1.00 63.24 C ATOM 0 H ALA A 39 -4.053 -7.167 -6.029 1.00 51.33 H new ATOM 0 HA ALA A 39 -4.311 -4.670 -4.544 1.00 61.35 H new ATOM 0 HB1 ALA A 39 -4.947 -3.778 -6.762 1.00 63.24 H new ATOM 0 HB2 ALA A 39 -3.402 -4.659 -6.823 1.00 63.24 H new ATOM 0 HB3 ALA A 39 -4.887 -5.426 -7.433 1.00 63.24 H new ATOM 515 N ASN A 40 -6.626 -5.436 -3.761 1.00 13.35 N ATOM 516 CA ASN A 40 -8.032 -5.509 -3.380 1.00 54.53 C ATOM 517 C ASN A 40 -8.331 -4.566 -2.218 1.00 52.15 C ATOM 518 O ASN A 40 -9.420 -4.596 -1.643 1.00 24.51 O ATOM 519 CB ASN A 40 -8.405 -6.942 -2.997 1.00 71.23 C ATOM 520 CG ASN A 40 -9.897 -7.197 -3.094 1.00 21.23 C ATOM 521 OD1 ASN A 40 -10.571 -7.394 -2.083 1.00 22.45 O ATOM 522 ND2 ASN A 40 -10.420 -7.194 -4.314 1.00 63.44 N ATOM 0 H ASN A 40 -5.977 -5.411 -2.975 1.00 13.35 H new ATOM 0 HA ASN A 40 -8.631 -5.202 -4.237 1.00 54.53 H new ATOM 0 HB2 ASN A 40 -7.877 -7.638 -3.649 1.00 71.23 H new ATOM 0 HB3 ASN A 40 -8.070 -7.142 -1.979 1.00 71.23 H new ATOM 0 HD21 ASN A 40 -11.418 -7.359 -4.441 1.00 63.44 H new ATOM 0 HD22 ASN A 40 -9.823 -7.026 -5.124 1.00 63.44 H new ATOM 529 N THR A 41 -7.357 -3.727 -1.878 1.00 73.32 N ATOM 530 CA THR A 41 -7.515 -2.776 -0.785 1.00 41.14 C ATOM 531 C THR A 41 -7.683 -1.356 -1.313 1.00 12.31 C ATOM 532 O THR A 41 -8.787 -0.810 -1.317 1.00 73.15 O ATOM 533 CB THR A 41 -6.309 -2.816 0.173 1.00 74.14 C ATOM 534 OG1 THR A 41 -5.158 -3.324 -0.510 1.00 63.11 O ATOM 535 CG2 THR A 41 -6.610 -3.684 1.385 1.00 74.30 C ATOM 0 H THR A 41 -6.451 -3.687 -2.344 1.00 73.32 H new ATOM 0 HA THR A 41 -8.413 -3.067 -0.239 1.00 41.14 H new ATOM 0 HB THR A 41 -6.110 -1.800 0.514 1.00 74.14 H new ATOM 0 HG1 THR A 41 -4.395 -3.345 0.105 1.00 63.11 H new ATOM 0 HG21 THR A 41 -5.744 -3.697 2.047 1.00 74.30 H new ATOM 0 HG22 THR A 41 -7.469 -3.278 1.919 1.00 74.30 H new ATOM 0 HG23 THR A 41 -6.833 -4.700 1.059 1.00 74.30 H new ATOM 543 N THR A 42 -6.581 -0.760 -1.758 1.00 71.01 N ATOM 544 CA THR A 42 -6.607 0.598 -2.288 1.00 23.54 C ATOM 545 C THR A 42 -5.211 1.054 -2.698 1.00 75.15 C ATOM 546 O THR A 42 -4.970 1.439 -3.842 1.00 41.55 O ATOM 547 CB THR A 42 -7.177 1.591 -1.258 1.00 52.33 C ATOM 548 OG1 THR A 42 -8.598 1.687 -1.406 1.00 13.45 O ATOM 549 CG2 THR A 42 -6.550 2.967 -1.429 1.00 74.13 C ATOM 0 H THR A 42 -5.659 -1.197 -1.762 1.00 71.01 H new ATOM 0 HA THR A 42 -7.254 0.584 -3.165 1.00 23.54 H new ATOM 0 HB THR A 42 -6.940 1.223 -0.260 1.00 52.33 H new ATOM 0 HG1 THR A 42 -8.950 0.836 -1.739 1.00 13.45 H new ATOM 0 HG21 THR A 42 -6.968 3.652 -0.691 1.00 74.13 H new ATOM 0 HG22 THR A 42 -5.472 2.895 -1.288 1.00 74.13 H new ATOM 0 HG23 THR A 42 -6.761 3.341 -2.431 1.00 74.13 H new ATOM 557 N PRO A 43 -4.269 1.010 -1.745 1.00 61.42 N ATOM 558 CA PRO A 43 -2.881 1.414 -1.985 1.00 45.03 C ATOM 559 C PRO A 43 -2.143 0.440 -2.897 1.00 44.14 C ATOM 560 O PRO A 43 -1.131 0.789 -3.505 1.00 45.53 O ATOM 561 CB PRO A 43 -2.262 1.408 -0.585 1.00 52.41 C ATOM 562 CG PRO A 43 -3.092 0.445 0.191 1.00 24.15 C ATOM 563 CD PRO A 43 -4.486 0.561 -0.360 1.00 21.15 C ATOM 0 HA PRO A 43 -2.819 2.378 -2.489 1.00 45.03 H new ATOM 0 HB2 PRO A 43 -1.218 1.096 -0.615 1.00 52.41 H new ATOM 0 HB3 PRO A 43 -2.285 2.402 -0.137 1.00 52.41 H new ATOM 0 HG2 PRO A 43 -2.713 -0.571 0.083 1.00 24.15 H new ATOM 0 HG3 PRO A 43 -3.072 0.682 1.255 1.00 24.15 H new ATOM 0 HD2 PRO A 43 -5.013 -0.393 -0.325 1.00 21.15 H new ATOM 0 HD3 PRO A 43 -5.083 1.276 0.205 1.00 21.15 H new ATOM 571 N ASP A 44 -2.655 -0.782 -2.989 1.00 14.13 N ATOM 572 CA ASP A 44 -2.046 -1.806 -3.828 1.00 64.44 C ATOM 573 C ASP A 44 -2.536 -1.691 -5.268 1.00 62.44 C ATOM 574 O ASP A 44 -1.795 -1.973 -6.211 1.00 14.21 O ATOM 575 CB ASP A 44 -2.359 -3.199 -3.280 1.00 21.15 C ATOM 576 CG ASP A 44 -1.281 -3.708 -2.343 1.00 30.31 C ATOM 577 OD1 ASP A 44 -0.472 -2.885 -1.865 1.00 70.15 O ATOM 578 OD2 ASP A 44 -1.247 -4.930 -2.087 1.00 0.25 O ATOM 0 H ASP A 44 -3.492 -1.088 -2.492 1.00 14.13 H new ATOM 0 HA ASP A 44 -0.967 -1.654 -3.817 1.00 64.44 H new ATOM 0 HB2 ASP A 44 -3.312 -3.173 -2.752 1.00 21.15 H new ATOM 0 HB3 ASP A 44 -2.473 -3.896 -4.110 1.00 21.15 H new ATOM 583 N ARG A 45 -3.788 -1.277 -5.430 1.00 73.34 N ATOM 584 CA ARG A 45 -4.378 -1.128 -6.755 1.00 51.43 C ATOM 585 C ARG A 45 -3.761 0.056 -7.495 1.00 25.32 C ATOM 586 O ARG A 45 -3.463 -0.032 -8.686 1.00 22.14 O ATOM 587 CB ARG A 45 -5.892 -0.940 -6.644 1.00 52.55 C ATOM 588 CG ARG A 45 -6.582 -2.021 -5.830 1.00 74.50 C ATOM 589 CD ARG A 45 -7.671 -2.715 -6.634 1.00 13.41 C ATOM 590 NE ARG A 45 -8.661 -1.769 -7.144 1.00 21.42 N ATOM 591 CZ ARG A 45 -9.627 -1.244 -6.399 1.00 52.21 C ATOM 592 NH1 ARG A 45 -9.733 -1.569 -5.118 1.00 61.32 N ATOM 593 NH2 ARG A 45 -10.490 -0.390 -6.935 1.00 70.24 N ATOM 0 H ARG A 45 -4.414 -1.039 -4.660 1.00 73.34 H new ATOM 0 HA ARG A 45 -4.172 -2.036 -7.321 1.00 51.43 H new ATOM 0 HB2 ARG A 45 -6.097 0.030 -6.191 1.00 52.55 H new ATOM 0 HB3 ARG A 45 -6.322 -0.921 -7.646 1.00 52.55 H new ATOM 0 HG2 ARG A 45 -5.847 -2.756 -5.502 1.00 74.50 H new ATOM 0 HG3 ARG A 45 -7.016 -1.581 -4.932 1.00 74.50 H new ATOM 0 HD2 ARG A 45 -7.219 -3.252 -7.468 1.00 13.41 H new ATOM 0 HD3 ARG A 45 -8.167 -3.457 -6.008 1.00 13.41 H new ATOM 0 HE ARG A 45 -8.607 -1.497 -8.126 1.00 21.42 H new ATOM 0 HH11 ARG A 45 -9.071 -2.224 -4.702 1.00 61.32 H new ATOM 0 HH12 ARG A 45 -10.476 -1.164 -4.549 1.00 61.32 H new ATOM 0 HH21 ARG A 45 -10.412 -0.136 -7.920 1.00 70.24 H new ATOM 0 HH22 ARG A 45 -11.232 0.013 -6.362 1.00 70.24 H new ATOM 607 N GLN A 46 -3.572 1.160 -6.780 1.00 51.42 N ATOM 608 CA GLN A 46 -2.991 2.361 -7.370 1.00 14.05 C ATOM 609 C GLN A 46 -1.620 2.065 -7.968 1.00 11.22 C ATOM 610 O GLN A 46 -1.431 2.145 -9.181 1.00 52.02 O ATOM 611 CB GLN A 46 -2.875 3.466 -6.318 1.00 24.32 C ATOM 612 CG GLN A 46 -4.209 3.877 -5.717 1.00 50.32 C ATOM 613 CD GLN A 46 -4.062 4.516 -4.350 1.00 45.23 C ATOM 614 OE1 GLN A 46 -3.064 4.308 -3.659 1.00 60.42 O ATOM 615 NE2 GLN A 46 -5.057 5.300 -3.953 1.00 3.35 N ATOM 0 H GLN A 46 -3.812 1.248 -5.793 1.00 51.42 H new ATOM 0 HA GLN A 46 -3.650 2.698 -8.170 1.00 14.05 H new ATOM 0 HB2 GLN A 46 -2.215 3.128 -5.519 1.00 24.32 H new ATOM 0 HB3 GLN A 46 -2.406 4.339 -6.771 1.00 24.32 H new ATOM 0 HG2 GLN A 46 -4.706 4.577 -6.389 1.00 50.32 H new ATOM 0 HG3 GLN A 46 -4.852 3.001 -5.637 1.00 50.32 H new ATOM 0 HE21 GLN A 46 -5.865 5.444 -4.558 1.00 3.35 H new ATOM 0 HE22 GLN A 46 -5.013 5.758 -3.043 1.00 3.35 H new ATOM 624 N ALA A 47 -0.666 1.724 -7.108 1.00 30.21 N ATOM 625 CA ALA A 47 0.687 1.414 -7.552 1.00 5.52 C ATOM 626 C ALA A 47 0.677 0.352 -8.646 1.00 22.04 C ATOM 627 O ALA A 47 1.234 0.553 -9.724 1.00 64.23 O ATOM 628 CB ALA A 47 1.537 0.956 -6.376 1.00 32.33 C ATOM 0 H ALA A 47 -0.805 1.655 -6.100 1.00 30.21 H new ATOM 0 HA ALA A 47 1.123 2.322 -7.969 1.00 5.52 H new ATOM 0 HB1 ALA A 47 2.545 0.728 -6.723 1.00 32.33 H new ATOM 0 HB2 ALA A 47 1.581 1.748 -5.628 1.00 32.33 H new ATOM 0 HB3 ALA A 47 1.095 0.063 -5.933 1.00 32.33 H new ATOM 634 N ALA A 48 0.041 -0.779 -8.360 1.00 15.05 N ATOM 635 CA ALA A 48 -0.043 -1.872 -9.320 1.00 31.53 C ATOM 636 C ALA A 48 -0.551 -1.379 -10.670 1.00 74.52 C ATOM 637 O ALA A 48 0.144 -1.481 -11.682 1.00 33.34 O ATOM 638 CB ALA A 48 -0.944 -2.976 -8.785 1.00 62.24 C ATOM 0 H ALA A 48 -0.424 -0.962 -7.471 1.00 15.05 H new ATOM 0 HA ALA A 48 0.960 -2.274 -9.464 1.00 31.53 H new ATOM 0 HB1 ALA A 48 -0.998 -3.786 -9.512 1.00 62.24 H new ATOM 0 HB2 ALA A 48 -0.537 -3.356 -7.848 1.00 62.24 H new ATOM 0 HB3 ALA A 48 -1.944 -2.578 -8.611 1.00 62.24 H new ATOM 644 N CYS A 49 -1.768 -0.846 -10.680 1.00 52.42 N ATOM 645 CA CYS A 49 -2.371 -0.338 -11.907 1.00 1.44 C ATOM 646 C CYS A 49 -1.459 0.685 -12.578 1.00 3.22 C ATOM 647 O CYS A 49 -1.020 0.492 -13.711 1.00 33.32 O ATOM 648 CB CYS A 49 -3.731 0.295 -11.607 1.00 53.00 C ATOM 649 SG CYS A 49 -4.651 0.818 -13.090 1.00 42.21 S ATOM 0 H CYS A 49 -2.357 -0.754 -9.852 1.00 52.42 H new ATOM 0 HA CYS A 49 -2.510 -1.177 -12.589 1.00 1.44 H new ATOM 0 HB2 CYS A 49 -4.337 -0.419 -11.050 1.00 53.00 H new ATOM 0 HB3 CYS A 49 -3.583 1.160 -10.961 1.00 53.00 H new ATOM 654 N ASN A 50 -1.177 1.774 -11.869 1.00 74.12 N ATOM 655 CA ASN A 50 -0.318 2.828 -12.396 1.00 62.30 C ATOM 656 C ASN A 50 0.944 2.239 -13.021 1.00 13.33 C ATOM 657 O ASN A 50 1.336 2.615 -14.126 1.00 1.34 O ATOM 658 CB ASN A 50 0.060 3.809 -11.285 1.00 51.50 C ATOM 659 CG ASN A 50 -1.153 4.478 -10.667 1.00 41.45 C ATOM 660 OD1 ASN A 50 -2.176 4.664 -11.327 1.00 31.15 O ATOM 661 ND2 ASN A 50 -1.043 4.844 -9.396 1.00 11.33 N ATOM 0 H ASN A 50 -1.531 1.949 -10.929 1.00 74.12 H new ATOM 0 HA ASN A 50 -0.871 3.361 -13.170 1.00 62.30 H new ATOM 0 HB2 ASN A 50 0.614 3.280 -10.510 1.00 51.50 H new ATOM 0 HB3 ASN A 50 0.726 4.572 -11.689 1.00 51.50 H new ATOM 0 HD21 ASN A 50 -1.826 5.300 -8.927 1.00 11.33 H new ATOM 0 HD22 ASN A 50 -0.176 4.670 -8.888 1.00 11.33 H new ATOM 668 N CYS A 51 1.575 1.314 -12.306 1.00 74.40 N ATOM 669 CA CYS A 51 2.792 0.672 -12.789 1.00 15.03 C ATOM 670 C CYS A 51 2.590 0.112 -14.194 1.00 24.33 C ATOM 671 O CYS A 51 3.465 0.231 -15.053 1.00 51.40 O ATOM 672 CB CYS A 51 3.214 -0.448 -11.837 1.00 24.44 C ATOM 673 SG CYS A 51 4.335 0.091 -10.505 1.00 72.41 S ATOM 0 H CYS A 51 1.264 0.992 -11.390 1.00 74.40 H new ATOM 0 HA CYS A 51 3.580 1.424 -12.827 1.00 15.03 H new ATOM 0 HB2 CYS A 51 2.321 -0.887 -11.391 1.00 24.44 H new ATOM 0 HB3 CYS A 51 3.702 -1.235 -12.412 1.00 24.44 H new ATOM 678 N LEU A 52 1.433 -0.500 -14.421 1.00 2.15 N ATOM 679 CA LEU A 52 1.116 -1.079 -15.721 1.00 71.03 C ATOM 680 C LEU A 52 0.709 0.004 -16.715 1.00 44.42 C ATOM 681 O LEU A 52 1.095 -0.033 -17.884 1.00 22.32 O ATOM 682 CB LEU A 52 -0.008 -2.108 -15.583 1.00 43.12 C ATOM 683 CG LEU A 52 0.256 -3.265 -14.619 1.00 5.21 C ATOM 684 CD1 LEU A 52 -0.871 -4.283 -14.686 1.00 22.43 C ATOM 685 CD2 LEU A 52 1.592 -3.924 -14.930 1.00 4.11 C ATOM 0 H LEU A 52 0.699 -0.608 -13.721 1.00 2.15 H new ATOM 0 HA LEU A 52 2.011 -1.575 -16.098 1.00 71.03 H new ATOM 0 HB2 LEU A 52 -0.910 -1.590 -15.258 1.00 43.12 H new ATOM 0 HB3 LEU A 52 -0.216 -2.523 -16.569 1.00 43.12 H new ATOM 0 HG LEU A 52 0.298 -2.866 -13.605 1.00 5.21 H new ATOM 0 HD11 LEU A 52 -0.666 -5.099 -13.993 1.00 22.43 H new ATOM 0 HD12 LEU A 52 -1.811 -3.803 -14.413 1.00 22.43 H new ATOM 0 HD13 LEU A 52 -0.945 -4.677 -15.699 1.00 22.43 H new ATOM 0 HD21 LEU A 52 1.763 -4.745 -14.234 1.00 4.11 H new ATOM 0 HD22 LEU A 52 1.579 -4.309 -15.950 1.00 4.11 H new ATOM 0 HD23 LEU A 52 2.392 -3.190 -14.829 1.00 4.11 H new ATOM 697 N LYS A 53 -0.070 0.971 -16.243 1.00 34.23 N ATOM 698 CA LYS A 53 -0.527 2.068 -17.088 1.00 31.14 C ATOM 699 C LYS A 53 0.655 2.795 -17.721 1.00 13.53 C ATOM 700 O LYS A 53 0.591 3.214 -18.877 1.00 22.24 O ATOM 701 CB LYS A 53 -1.368 3.052 -16.271 1.00 5.11 C ATOM 702 CG LYS A 53 -2.476 2.389 -15.472 1.00 60.42 C ATOM 703 CD LYS A 53 -3.798 3.118 -15.641 1.00 74.43 C ATOM 704 CE LYS A 53 -4.657 2.472 -16.718 1.00 42.24 C ATOM 705 NZ LYS A 53 -5.619 1.491 -16.146 1.00 74.43 N ATOM 0 H LYS A 53 -0.399 1.017 -15.278 1.00 34.23 H new ATOM 0 HA LYS A 53 -1.142 1.649 -17.885 1.00 31.14 H new ATOM 0 HB2 LYS A 53 -0.715 3.595 -15.588 1.00 5.11 H new ATOM 0 HB3 LYS A 53 -1.808 3.787 -16.945 1.00 5.11 H new ATOM 0 HG2 LYS A 53 -2.587 1.353 -15.792 1.00 60.42 H new ATOM 0 HG3 LYS A 53 -2.203 2.369 -14.417 1.00 60.42 H new ATOM 0 HD2 LYS A 53 -4.338 3.118 -14.694 1.00 74.43 H new ATOM 0 HD3 LYS A 53 -3.610 4.160 -15.900 1.00 74.43 H new ATOM 0 HE2 LYS A 53 -5.204 3.245 -17.258 1.00 42.24 H new ATOM 0 HE3 LYS A 53 -4.015 1.971 -17.442 1.00 42.24 H new ATOM 0 HZ1 LYS A 53 -6.126 1.012 -16.917 1.00 74.43 H new ATOM 0 HZ2 LYS A 53 -5.102 0.787 -15.581 1.00 74.43 H new ATOM 0 HZ3 LYS A 53 -6.302 1.988 -15.539 1.00 74.43 H new ATOM 719 N SER A 54 1.732 2.942 -16.956 1.00 62.53 N ATOM 720 CA SER A 54 2.928 3.621 -17.442 1.00 73.41 C ATOM 721 C SER A 54 3.701 2.732 -18.412 1.00 52.21 C ATOM 722 O SER A 54 4.162 3.190 -19.457 1.00 70.01 O ATOM 723 CB SER A 54 3.827 4.018 -16.269 1.00 75.35 C ATOM 724 OG SER A 54 4.933 4.785 -16.712 1.00 15.32 O ATOM 0 H SER A 54 1.801 2.600 -15.997 1.00 62.53 H new ATOM 0 HA SER A 54 2.615 4.521 -17.972 1.00 73.41 H new ATOM 0 HB2 SER A 54 3.251 4.591 -15.542 1.00 75.35 H new ATOM 0 HB3 SER A 54 4.182 3.122 -15.759 1.00 75.35 H new ATOM 0 HG SER A 54 5.491 5.028 -15.944 1.00 15.32 H new ATOM 730 N ALA A 55 3.838 1.459 -18.057 1.00 70.12 N ATOM 731 CA ALA A 55 4.553 0.505 -18.896 1.00 31.11 C ATOM 732 C ALA A 55 3.774 0.204 -20.172 1.00 34.34 C ATOM 733 O ALA A 55 4.311 -0.374 -21.116 1.00 55.03 O ATOM 734 CB ALA A 55 4.822 -0.778 -18.124 1.00 61.41 C ATOM 0 H ALA A 55 3.463 1.064 -17.194 1.00 70.12 H new ATOM 0 HA ALA A 55 5.506 0.951 -19.181 1.00 31.11 H new ATOM 0 HB1 ALA A 55 5.356 -1.482 -18.762 1.00 61.41 H new ATOM 0 HB2 ALA A 55 5.427 -0.554 -17.245 1.00 61.41 H new ATOM 0 HB3 ALA A 55 3.876 -1.219 -17.810 1.00 61.41 H new ATOM 740 N ALA A 56 2.505 0.598 -20.191 1.00 53.24 N ATOM 741 CA ALA A 56 1.652 0.371 -21.352 1.00 2.32 C ATOM 742 C ALA A 56 1.760 1.523 -22.346 1.00 32.24 C ATOM 743 O ALA A 56 1.465 1.364 -23.529 1.00 64.44 O ATOM 744 CB ALA A 56 0.207 0.181 -20.916 1.00 10.22 C ATOM 0 H ALA A 56 2.045 1.076 -19.416 1.00 53.24 H new ATOM 0 HA ALA A 56 1.992 -0.537 -21.850 1.00 2.32 H new ATOM 0 HB1 ALA A 56 -0.418 0.013 -21.793 1.00 10.22 H new ATOM 0 HB2 ALA A 56 0.138 -0.679 -20.250 1.00 10.22 H new ATOM 0 HB3 ALA A 56 -0.135 1.073 -20.392 1.00 10.22 H new ATOM 750 N GLY A 57 2.183 2.684 -21.856 1.00 4.15 N ATOM 751 CA GLY A 57 2.321 3.846 -22.714 1.00 63.34 C ATOM 752 C GLY A 57 3.514 3.741 -23.644 1.00 4.45 C ATOM 753 O GLY A 57 3.550 4.382 -24.694 1.00 75.01 O ATOM 0 H GLY A 57 2.433 2.841 -20.880 1.00 4.15 H new ATOM 0 HA2 GLY A 57 1.413 3.968 -23.305 1.00 63.34 H new ATOM 0 HA3 GLY A 57 2.422 4.739 -22.098 1.00 63.34 H new ATOM 757 N SER A 58 4.496 2.933 -23.256 1.00 13.14 N ATOM 758 CA SER A 58 5.699 2.751 -24.059 1.00 1.51 C ATOM 759 C SER A 58 5.533 1.587 -25.030 1.00 70.05 C ATOM 760 O SER A 58 6.491 1.163 -25.678 1.00 11.40 O ATOM 761 CB SER A 58 6.909 2.508 -23.155 1.00 62.21 C ATOM 762 OG SER A 58 7.493 3.732 -22.743 1.00 73.32 O ATOM 0 H SER A 58 4.482 2.394 -22.390 1.00 13.14 H new ATOM 0 HA SER A 58 5.862 3.661 -24.636 1.00 1.51 H new ATOM 0 HB2 SER A 58 6.603 1.935 -22.280 1.00 62.21 H new ATOM 0 HB3 SER A 58 7.649 1.909 -23.686 1.00 62.21 H new ATOM 0 HG SER A 58 8.263 3.549 -22.165 1.00 73.32 H new ATOM 768 N ILE A 59 4.311 1.074 -25.126 1.00 51.31 N ATOM 769 CA ILE A 59 4.018 -0.040 -26.019 1.00 23.22 C ATOM 770 C ILE A 59 3.240 0.427 -27.244 1.00 64.24 C ATOM 771 O ILE A 59 2.262 1.165 -27.129 1.00 14.21 O ATOM 772 CB ILE A 59 3.213 -1.139 -25.302 1.00 33.55 C ATOM 773 CG1 ILE A 59 3.782 -1.389 -23.903 1.00 73.13 C ATOM 774 CG2 ILE A 59 3.222 -2.422 -26.120 1.00 33.02 C ATOM 775 CD1 ILE A 59 3.068 -2.489 -23.148 1.00 44.41 C ATOM 0 H ILE A 59 3.508 1.412 -24.596 1.00 51.31 H new ATOM 0 HA ILE A 59 4.977 -0.451 -26.336 1.00 23.22 H new ATOM 0 HB ILE A 59 2.181 -0.804 -25.199 1.00 33.55 H new ATOM 0 HG12 ILE A 59 4.838 -1.645 -23.989 1.00 73.13 H new ATOM 0 HG13 ILE A 59 3.724 -0.466 -23.326 1.00 73.13 H new ATOM 0 HG21 ILE A 59 2.649 -3.189 -25.600 1.00 33.02 H new ATOM 0 HG22 ILE A 59 2.775 -2.234 -27.096 1.00 33.02 H new ATOM 0 HG23 ILE A 59 4.249 -2.763 -26.251 1.00 33.02 H new ATOM 0 HD11 ILE A 59 3.524 -2.611 -22.166 1.00 44.41 H new ATOM 0 HD12 ILE A 59 2.017 -2.226 -23.030 1.00 44.41 H new ATOM 0 HD13 ILE A 59 3.148 -3.423 -23.704 1.00 44.41 H new ATOM 787 N THR A 60 3.681 -0.010 -28.420 1.00 60.22 N ATOM 788 CA THR A 60 3.026 0.362 -29.668 1.00 64.10 C ATOM 789 C THR A 60 2.097 -0.745 -30.153 1.00 23.11 C ATOM 790 O THR A 60 1.089 -0.481 -30.808 1.00 61.35 O ATOM 791 CB THR A 60 4.055 0.673 -30.771 1.00 64.13 C ATOM 792 OG1 THR A 60 3.423 1.376 -31.846 1.00 44.54 O ATOM 793 CG2 THR A 60 4.687 -0.607 -31.298 1.00 44.30 C ATOM 0 H THR A 60 4.489 -0.622 -28.534 1.00 60.22 H new ATOM 0 HA THR A 60 2.441 1.259 -29.463 1.00 64.10 H new ATOM 0 HB THR A 60 4.839 1.296 -30.341 1.00 64.13 H new ATOM 0 HG1 THR A 60 4.084 1.571 -32.543 1.00 44.54 H new ATOM 0 HG21 THR A 60 5.410 -0.362 -32.076 1.00 44.30 H new ATOM 0 HG22 THR A 60 5.192 -1.126 -30.483 1.00 44.30 H new ATOM 0 HG23 THR A 60 3.912 -1.251 -31.713 1.00 44.30 H new ATOM 801 N LYS A 61 2.442 -1.986 -29.826 1.00 43.03 N ATOM 802 CA LYS A 61 1.638 -3.135 -30.226 1.00 43.45 C ATOM 803 C LYS A 61 0.640 -3.507 -29.135 1.00 52.30 C ATOM 804 O LYS A 61 0.111 -4.619 -29.116 1.00 22.10 O ATOM 805 CB LYS A 61 2.540 -4.331 -30.537 1.00 24.33 C ATOM 806 CG LYS A 61 3.122 -4.307 -31.940 1.00 32.13 C ATOM 807 CD LYS A 61 2.123 -4.815 -32.966 1.00 61.11 C ATOM 808 CE LYS A 61 2.193 -6.328 -33.111 1.00 0.43 C ATOM 809 NZ LYS A 61 1.278 -7.019 -32.160 1.00 42.43 N ATOM 0 H LYS A 61 3.274 -2.222 -29.285 1.00 43.03 H new ATOM 0 HA LYS A 61 1.083 -2.864 -31.124 1.00 43.45 H new ATOM 0 HB2 LYS A 61 3.356 -4.357 -29.815 1.00 24.33 H new ATOM 0 HB3 LYS A 61 1.969 -5.250 -30.406 1.00 24.33 H new ATOM 0 HG2 LYS A 61 3.420 -3.290 -32.194 1.00 32.13 H new ATOM 0 HG3 LYS A 61 4.022 -4.921 -31.972 1.00 32.13 H new ATOM 0 HD2 LYS A 61 1.115 -4.523 -32.670 1.00 61.11 H new ATOM 0 HD3 LYS A 61 2.320 -4.347 -33.930 1.00 61.11 H new ATOM 0 HE2 LYS A 61 1.934 -6.607 -34.132 1.00 0.43 H new ATOM 0 HE3 LYS A 61 3.216 -6.662 -32.939 1.00 0.43 H new ATOM 0 HZ1 LYS A 61 0.957 -7.916 -32.577 1.00 42.43 H new ATOM 0 HZ2 LYS A 61 1.782 -7.211 -31.271 1.00 42.43 H new ATOM 0 HZ3 LYS A 61 0.455 -6.413 -31.968 1.00 42.43 H new ATOM 823 N LEU A 62 0.385 -2.570 -28.229 1.00 12.34 N ATOM 824 CA LEU A 62 -0.552 -2.799 -27.134 1.00 53.32 C ATOM 825 C LEU A 62 -1.970 -2.989 -27.662 1.00 75.25 C ATOM 826 O LEU A 62 -2.324 -2.470 -28.720 1.00 53.10 O ATOM 827 CB LEU A 62 -0.515 -1.627 -26.151 1.00 60.22 C ATOM 828 CG LEU A 62 -1.511 -1.691 -24.993 1.00 21.33 C ATOM 829 CD1 LEU A 62 -1.169 -2.842 -24.058 1.00 55.43 C ATOM 830 CD2 LEU A 62 -1.531 -0.373 -24.233 1.00 40.21 C ATOM 0 H LEU A 62 0.814 -1.644 -28.231 1.00 12.34 H new ATOM 0 HA LEU A 62 -0.251 -3.710 -26.616 1.00 53.32 H new ATOM 0 HB2 LEU A 62 0.490 -1.559 -25.736 1.00 60.22 H new ATOM 0 HB3 LEU A 62 -0.693 -0.707 -26.707 1.00 60.22 H new ATOM 0 HG LEU A 62 -2.505 -1.866 -25.404 1.00 21.33 H new ATOM 0 HD11 LEU A 62 -1.888 -2.872 -23.240 1.00 55.43 H new ATOM 0 HD12 LEU A 62 -1.206 -3.782 -24.609 1.00 55.43 H new ATOM 0 HD13 LEU A 62 -0.167 -2.698 -23.655 1.00 55.43 H new ATOM 0 HD21 LEU A 62 -2.246 -0.437 -23.412 1.00 40.21 H new ATOM 0 HD22 LEU A 62 -0.538 -0.168 -23.834 1.00 40.21 H new ATOM 0 HD23 LEU A 62 -1.824 0.432 -24.907 1.00 40.21 H new ATOM 842 N ASN A 63 -2.779 -3.736 -26.917 1.00 43.11 N ATOM 843 CA ASN A 63 -4.159 -3.994 -27.310 1.00 15.54 C ATOM 844 C ASN A 63 -5.104 -3.814 -26.125 1.00 53.53 C ATOM 845 O ASN A 63 -5.406 -4.767 -25.406 1.00 42.31 O ATOM 846 CB ASN A 63 -4.295 -5.409 -27.874 1.00 74.03 C ATOM 847 CG ASN A 63 -3.611 -5.563 -29.219 1.00 31.32 C ATOM 848 OD1 ASN A 63 -2.406 -5.344 -29.343 1.00 51.33 O ATOM 849 ND2 ASN A 63 -4.379 -5.943 -30.233 1.00 52.24 N ATOM 0 H ASN A 63 -2.502 -4.173 -26.038 1.00 43.11 H new ATOM 0 HA ASN A 63 -4.431 -3.275 -28.083 1.00 15.54 H new ATOM 0 HB2 ASN A 63 -3.867 -6.121 -27.168 1.00 74.03 H new ATOM 0 HB3 ASN A 63 -5.352 -5.657 -27.976 1.00 74.03 H new ATOM 0 HD21 ASN A 63 -3.975 -6.065 -31.161 1.00 52.24 H new ATOM 0 HD22 ASN A 63 -5.374 -6.113 -30.084 1.00 52.24 H new ATOM 856 N THR A 64 -5.570 -2.584 -25.928 1.00 41.11 N ATOM 857 CA THR A 64 -6.480 -2.278 -24.832 1.00 2.14 C ATOM 858 C THR A 64 -7.670 -3.230 -24.823 1.00 54.22 C ATOM 859 O THR A 64 -8.266 -3.485 -23.777 1.00 45.12 O ATOM 860 CB THR A 64 -6.996 -0.829 -24.918 1.00 21.14 C ATOM 861 OG1 THR A 64 -7.844 -0.678 -26.062 1.00 23.14 O ATOM 862 CG2 THR A 64 -5.838 0.154 -25.005 1.00 21.41 C ATOM 0 H THR A 64 -5.332 -1.784 -26.514 1.00 41.11 H new ATOM 0 HA THR A 64 -5.914 -2.400 -23.908 1.00 2.14 H new ATOM 0 HB THR A 64 -7.566 -0.615 -24.014 1.00 21.14 H new ATOM 0 HG1 THR A 64 -8.169 0.245 -26.109 1.00 23.14 H new ATOM 0 HG21 THR A 64 -6.227 1.170 -25.065 1.00 21.41 H new ATOM 0 HG22 THR A 64 -5.211 0.057 -24.119 1.00 21.41 H new ATOM 0 HG23 THR A 64 -5.245 -0.060 -25.894 1.00 21.41 H new ATOM 870 N ASN A 65 -8.012 -3.753 -25.996 1.00 53.23 N ATOM 871 CA ASN A 65 -9.133 -4.678 -26.123 1.00 42.44 C ATOM 872 C ASN A 65 -8.865 -5.966 -25.351 1.00 71.03 C ATOM 873 O ASN A 65 -9.742 -6.480 -24.659 1.00 32.22 O ATOM 874 CB ASN A 65 -9.393 -4.997 -27.597 1.00 25.41 C ATOM 875 CG ASN A 65 -10.381 -4.038 -28.231 1.00 71.01 C ATOM 876 OD1 ASN A 65 -9.995 -3.013 -28.792 1.00 50.44 O ATOM 877 ND2 ASN A 65 -11.664 -4.368 -28.144 1.00 54.10 N ATOM 0 H ASN A 65 -7.529 -3.552 -26.872 1.00 53.23 H new ATOM 0 HA ASN A 65 -10.017 -4.200 -25.701 1.00 42.44 H new ATOM 0 HB2 ASN A 65 -8.452 -4.960 -28.145 1.00 25.41 H new ATOM 0 HB3 ASN A 65 -9.772 -6.015 -27.684 1.00 25.41 H new ATOM 0 HD21 ASN A 65 -12.375 -3.761 -28.552 1.00 54.10 H new ATOM 0 HD22 ASN A 65 -11.938 -5.228 -27.669 1.00 54.10 H new ATOM 884 N ASN A 66 -7.646 -6.482 -25.476 1.00 14.41 N ATOM 885 CA ASN A 66 -7.262 -7.710 -24.790 1.00 35.01 C ATOM 886 C ASN A 66 -7.011 -7.450 -23.308 1.00 11.42 C ATOM 887 O ASN A 66 -7.063 -8.366 -22.489 1.00 22.54 O ATOM 888 CB ASN A 66 -6.010 -8.308 -25.434 1.00 30.24 C ATOM 889 CG ASN A 66 -6.256 -8.769 -26.858 1.00 5.35 C ATOM 890 OD1 ASN A 66 -7.257 -9.424 -27.146 1.00 21.43 O ATOM 891 ND2 ASN A 66 -5.340 -8.427 -27.756 1.00 45.31 N ATOM 0 H ASN A 66 -6.908 -6.069 -26.046 1.00 14.41 H new ATOM 0 HA ASN A 66 -8.084 -8.420 -24.881 1.00 35.01 H new ATOM 0 HB2 ASN A 66 -5.212 -7.566 -25.428 1.00 30.24 H new ATOM 0 HB3 ASN A 66 -5.665 -9.152 -24.836 1.00 30.24 H new ATOM 0 HD21 ASN A 66 -5.451 -8.708 -28.730 1.00 45.31 H new ATOM 0 HD22 ASN A 66 -4.525 -7.883 -27.472 1.00 45.31 H new ATOM 898 N ALA A 67 -6.740 -6.193 -22.971 1.00 44.01 N ATOM 899 CA ALA A 67 -6.483 -5.811 -21.588 1.00 61.10 C ATOM 900 C ALA A 67 -7.775 -5.776 -20.779 1.00 53.35 C ATOM 901 O ALA A 67 -7.793 -6.137 -19.603 1.00 63.23 O ATOM 902 CB ALA A 67 -5.787 -4.459 -21.534 1.00 53.13 C ATOM 0 H ALA A 67 -6.693 -5.422 -23.637 1.00 44.01 H new ATOM 0 HA ALA A 67 -5.828 -6.562 -21.145 1.00 61.10 H new ATOM 0 HB1 ALA A 67 -5.601 -4.187 -20.495 1.00 53.13 H new ATOM 0 HB2 ALA A 67 -4.839 -4.516 -22.069 1.00 53.13 H new ATOM 0 HB3 ALA A 67 -6.421 -3.704 -21.999 1.00 53.13 H new ATOM 908 N ALA A 68 -8.855 -5.337 -21.418 1.00 34.23 N ATOM 909 CA ALA A 68 -10.152 -5.256 -20.758 1.00 35.03 C ATOM 910 C ALA A 68 -10.778 -6.638 -20.604 1.00 60.35 C ATOM 911 O ALA A 68 -11.378 -6.948 -19.576 1.00 3.15 O ATOM 912 CB ALA A 68 -11.083 -4.336 -21.534 1.00 72.53 C ATOM 0 H ALA A 68 -8.857 -5.032 -22.391 1.00 34.23 H new ATOM 0 HA ALA A 68 -9.999 -4.843 -19.761 1.00 35.03 H new ATOM 0 HB1 ALA A 68 -12.048 -4.285 -21.029 1.00 72.53 H new ATOM 0 HB2 ALA A 68 -10.648 -3.338 -21.586 1.00 72.53 H new ATOM 0 HB3 ALA A 68 -11.221 -4.725 -22.543 1.00 72.53 H new ATOM 918 N ALA A 69 -10.634 -7.465 -21.635 1.00 75.10 N ATOM 919 CA ALA A 69 -11.184 -8.815 -21.614 1.00 15.22 C ATOM 920 C ALA A 69 -10.215 -9.792 -20.958 1.00 31.40 C ATOM 921 O ALA A 69 -10.560 -10.947 -20.702 1.00 42.02 O ATOM 922 CB ALA A 69 -11.521 -9.270 -23.026 1.00 50.22 C ATOM 0 H ALA A 69 -10.141 -7.224 -22.495 1.00 75.10 H new ATOM 0 HA ALA A 69 -12.099 -8.799 -21.022 1.00 15.22 H new ATOM 0 HB1 ALA A 69 -11.931 -10.280 -22.995 1.00 50.22 H new ATOM 0 HB2 ALA A 69 -12.257 -8.593 -23.461 1.00 50.22 H new ATOM 0 HB3 ALA A 69 -10.617 -9.264 -23.636 1.00 50.22 H new ATOM 928 N LEU A 70 -9.002 -9.324 -20.689 1.00 3.24 N ATOM 929 CA LEU A 70 -7.981 -10.157 -20.063 1.00 32.45 C ATOM 930 C LEU A 70 -8.488 -10.745 -18.749 1.00 51.51 C ATOM 931 O LEU A 70 -8.552 -11.961 -18.568 1.00 52.41 O ATOM 932 CB LEU A 70 -6.711 -9.342 -19.813 1.00 60.34 C ATOM 933 CG LEU A 70 -5.857 -9.777 -18.622 1.00 14.04 C ATOM 934 CD1 LEU A 70 -5.335 -11.190 -18.827 1.00 24.34 C ATOM 935 CD2 LEU A 70 -4.705 -8.806 -18.408 1.00 54.12 C ATOM 0 H LEU A 70 -8.701 -8.371 -20.895 1.00 3.24 H new ATOM 0 HA LEU A 70 -7.751 -10.977 -20.743 1.00 32.45 H new ATOM 0 HB2 LEU A 70 -6.094 -9.383 -20.711 1.00 60.34 H new ATOM 0 HB3 LEU A 70 -6.995 -8.300 -19.669 1.00 60.34 H new ATOM 0 HG LEU A 70 -6.482 -9.769 -17.729 1.00 14.04 H new ATOM 0 HD11 LEU A 70 -4.729 -11.482 -17.969 1.00 24.34 H new ATOM 0 HD12 LEU A 70 -6.175 -11.877 -18.929 1.00 24.34 H new ATOM 0 HD13 LEU A 70 -4.726 -11.225 -19.730 1.00 24.34 H new ATOM 0 HD21 LEU A 70 -4.108 -9.132 -17.556 1.00 54.12 H new ATOM 0 HD22 LEU A 70 -4.080 -8.781 -19.301 1.00 54.12 H new ATOM 0 HD23 LEU A 70 -5.101 -7.809 -18.214 1.00 54.12 H new ATOM 947 N PRO A 71 -8.859 -9.862 -17.810 1.00 54.52 N ATOM 948 CA PRO A 71 -9.370 -10.269 -16.498 1.00 30.20 C ATOM 949 C PRO A 71 -10.753 -10.905 -16.586 1.00 71.22 C ATOM 950 O PRO A 71 -11.125 -11.725 -15.747 1.00 41.52 O ATOM 951 CB PRO A 71 -9.435 -8.953 -15.718 1.00 73.54 C ATOM 952 CG PRO A 71 -9.577 -7.901 -16.763 1.00 45.20 C ATOM 953 CD PRO A 71 -8.810 -8.397 -17.958 1.00 22.25 C ATOM 0 HA PRO A 71 -8.739 -11.026 -16.032 1.00 30.20 H new ATOM 0 HB2 PRO A 71 -10.279 -8.943 -15.028 1.00 73.54 H new ATOM 0 HB3 PRO A 71 -8.535 -8.801 -15.122 1.00 73.54 H new ATOM 0 HG2 PRO A 71 -10.625 -7.738 -17.013 1.00 45.20 H new ATOM 0 HG3 PRO A 71 -9.181 -6.948 -16.413 1.00 45.20 H new ATOM 0 HD2 PRO A 71 -9.267 -8.072 -18.892 1.00 22.25 H new ATOM 0 HD3 PRO A 71 -7.785 -8.027 -17.959 1.00 22.25 H new ATOM 961 N GLY A 72 -11.512 -10.522 -17.609 1.00 64.41 N ATOM 962 CA GLY A 72 -12.845 -11.066 -17.788 1.00 13.22 C ATOM 963 C GLY A 72 -12.826 -12.509 -18.250 1.00 20.44 C ATOM 964 O GLY A 72 -13.554 -13.349 -17.719 1.00 63.01 O ATOM 0 H GLY A 72 -11.227 -9.845 -18.316 1.00 64.41 H new ATOM 0 HA2 GLY A 72 -13.392 -10.996 -16.848 1.00 13.22 H new ATOM 0 HA3 GLY A 72 -13.386 -10.462 -18.517 1.00 13.22 H new ATOM 968 N LYS A 73 -11.992 -12.800 -19.243 1.00 33.35 N ATOM 969 CA LYS A 73 -11.881 -14.152 -19.777 1.00 65.12 C ATOM 970 C LYS A 73 -11.132 -15.061 -18.807 1.00 52.21 C ATOM 971 O LYS A 73 -11.195 -16.286 -18.914 1.00 12.11 O ATOM 972 CB LYS A 73 -11.163 -14.130 -21.129 1.00 31.42 C ATOM 973 CG LYS A 73 -12.095 -13.918 -22.309 1.00 13.31 C ATOM 974 CD LYS A 73 -11.341 -13.944 -23.628 1.00 23.25 C ATOM 975 CE LYS A 73 -11.178 -12.546 -24.205 1.00 24.35 C ATOM 976 NZ LYS A 73 -12.463 -12.010 -24.731 1.00 72.22 N ATOM 0 H LYS A 73 -11.383 -12.117 -19.694 1.00 33.35 H new ATOM 0 HA LYS A 73 -12.888 -14.546 -19.913 1.00 65.12 H new ATOM 0 HB2 LYS A 73 -10.415 -13.337 -21.121 1.00 31.42 H new ATOM 0 HB3 LYS A 73 -10.629 -15.071 -21.263 1.00 31.42 H new ATOM 0 HG2 LYS A 73 -12.862 -14.693 -22.312 1.00 13.31 H new ATOM 0 HG3 LYS A 73 -12.608 -12.962 -22.201 1.00 13.31 H new ATOM 0 HD2 LYS A 73 -10.359 -14.394 -23.478 1.00 23.25 H new ATOM 0 HD3 LYS A 73 -11.874 -14.573 -24.341 1.00 23.25 H new ATOM 0 HE2 LYS A 73 -10.794 -11.878 -23.434 1.00 24.35 H new ATOM 0 HE3 LYS A 73 -10.439 -12.567 -25.006 1.00 24.35 H new ATOM 0 HZ1 LYS A 73 -12.280 -11.145 -25.278 1.00 72.22 H new ATOM 0 HZ2 LYS A 73 -12.910 -12.720 -25.345 1.00 72.22 H new ATOM 0 HZ3 LYS A 73 -13.098 -11.790 -23.937 1.00 72.22 H new ATOM 990 N CYS A 74 -10.425 -14.453 -17.860 1.00 73.21 N ATOM 991 CA CYS A 74 -9.666 -15.207 -16.870 1.00 44.20 C ATOM 992 C CYS A 74 -10.501 -15.455 -15.617 1.00 43.40 C ATOM 993 O CYS A 74 -9.972 -15.819 -14.568 1.00 2.23 O ATOM 994 CB CYS A 74 -8.384 -14.458 -16.502 1.00 5.52 C ATOM 995 SG CYS A 74 -7.075 -14.557 -17.766 1.00 13.14 S ATOM 0 H CYS A 74 -10.362 -13.440 -17.758 1.00 73.21 H new ATOM 0 HA CYS A 74 -9.404 -16.171 -17.307 1.00 44.20 H new ATOM 0 HB2 CYS A 74 -8.626 -13.410 -16.327 1.00 5.52 H new ATOM 0 HB3 CYS A 74 -7.999 -14.858 -15.564 1.00 5.52 H new ATOM 1000 N GLY A 75 -11.810 -15.254 -15.736 1.00 21.43 N ATOM 1001 CA GLY A 75 -12.697 -15.461 -14.606 1.00 52.21 C ATOM 1002 C GLY A 75 -12.350 -14.575 -13.426 1.00 44.13 C ATOM 1003 O GLY A 75 -11.921 -15.062 -12.380 1.00 10.21 O ATOM 0 H GLY A 75 -12.272 -14.952 -16.594 1.00 21.43 H new ATOM 0 HA2 GLY A 75 -13.724 -15.265 -14.914 1.00 52.21 H new ATOM 0 HA3 GLY A 75 -12.650 -16.506 -14.298 1.00 52.21 H new ATOM 1007 N VAL A 76 -12.533 -13.269 -13.594 1.00 62.14 N ATOM 1008 CA VAL A 76 -12.235 -12.313 -12.535 1.00 51.30 C ATOM 1009 C VAL A 76 -13.264 -11.188 -12.505 1.00 43.21 C ATOM 1010 O VAL A 76 -13.807 -10.803 -13.539 1.00 55.22 O ATOM 1011 CB VAL A 76 -10.830 -11.705 -12.706 1.00 54.54 C ATOM 1012 CG1 VAL A 76 -10.464 -10.857 -11.497 1.00 60.34 C ATOM 1013 CG2 VAL A 76 -9.800 -12.800 -12.932 1.00 23.40 C ATOM 0 H VAL A 76 -12.886 -12.849 -14.454 1.00 62.14 H new ATOM 0 HA VAL A 76 -12.273 -12.861 -11.594 1.00 51.30 H new ATOM 0 HB VAL A 76 -10.837 -11.059 -13.584 1.00 54.54 H new ATOM 0 HG11 VAL A 76 -9.468 -10.436 -11.636 1.00 60.34 H new ATOM 0 HG12 VAL A 76 -11.187 -10.049 -11.387 1.00 60.34 H new ATOM 0 HG13 VAL A 76 -10.474 -11.478 -10.601 1.00 60.34 H new ATOM 0 HG21 VAL A 76 -8.813 -12.352 -13.051 1.00 23.40 H new ATOM 0 HG22 VAL A 76 -9.792 -13.474 -12.076 1.00 23.40 H new ATOM 0 HG23 VAL A 76 -10.055 -13.360 -13.832 1.00 23.40 H new ATOM 1023 N ASN A 77 -13.525 -10.664 -11.312 1.00 34.32 N ATOM 1024 CA ASN A 77 -14.490 -9.583 -11.147 1.00 5.45 C ATOM 1025 C ASN A 77 -13.908 -8.257 -11.628 1.00 43.01 C ATOM 1026 O ASN A 77 -12.846 -7.832 -11.172 1.00 41.41 O ATOM 1027 CB ASN A 77 -14.909 -9.465 -9.680 1.00 34.31 C ATOM 1028 CG ASN A 77 -15.262 -10.808 -9.070 1.00 72.44 C ATOM 1029 OD1 ASN A 77 -14.577 -11.293 -8.169 1.00 53.23 O ATOM 1030 ND2 ASN A 77 -16.336 -11.417 -9.561 1.00 43.00 N ATOM 0 H ASN A 77 -13.082 -10.970 -10.446 1.00 34.32 H new ATOM 0 HA ASN A 77 -15.367 -9.816 -11.751 1.00 5.45 H new ATOM 0 HB2 ASN A 77 -14.099 -9.011 -9.109 1.00 34.31 H new ATOM 0 HB3 ASN A 77 -15.767 -8.797 -9.603 1.00 34.31 H new ATOM 0 HD21 ASN A 77 -16.622 -12.323 -9.191 1.00 43.00 H new ATOM 0 HD22 ASN A 77 -16.874 -10.978 -10.308 1.00 43.00 H new ATOM 1037 N ILE A 78 -14.610 -7.609 -12.551 1.00 74.32 N ATOM 1038 CA ILE A 78 -14.165 -6.332 -13.093 1.00 4.31 C ATOM 1039 C ILE A 78 -15.340 -5.384 -13.305 1.00 74.21 C ATOM 1040 O ILE A 78 -15.859 -5.236 -14.412 1.00 21.40 O ATOM 1041 CB ILE A 78 -13.420 -6.515 -14.429 1.00 35.53 C ATOM 1042 CG1 ILE A 78 -12.219 -7.444 -14.244 1.00 64.25 C ATOM 1043 CG2 ILE A 78 -12.976 -5.168 -14.977 1.00 52.23 C ATOM 1044 CD1 ILE A 78 -11.154 -6.880 -13.330 1.00 22.31 C ATOM 0 H ILE A 78 -15.490 -7.948 -12.939 1.00 74.32 H new ATOM 0 HA ILE A 78 -13.481 -5.901 -12.361 1.00 4.31 H new ATOM 0 HB ILE A 78 -14.100 -6.970 -15.149 1.00 35.53 H new ATOM 0 HG12 ILE A 78 -12.565 -8.396 -13.841 1.00 64.25 H new ATOM 0 HG13 ILE A 78 -11.777 -7.652 -15.219 1.00 64.25 H new ATOM 0 HG21 ILE A 78 -12.451 -5.314 -15.921 1.00 52.23 H new ATOM 0 HG22 ILE A 78 -13.849 -4.536 -15.141 1.00 52.23 H new ATOM 0 HG23 ILE A 78 -12.309 -4.686 -14.262 1.00 52.23 H new ATOM 0 HD11 ILE A 78 -10.333 -7.592 -13.245 1.00 22.31 H new ATOM 0 HD12 ILE A 78 -10.780 -5.943 -13.742 1.00 22.31 H new ATOM 0 HD13 ILE A 78 -11.580 -6.698 -12.343 1.00 22.31 H new ATOM 1056 N PRO A 79 -15.772 -4.724 -12.220 1.00 22.31 N ATOM 1057 CA PRO A 79 -16.890 -3.777 -12.262 1.00 21.11 C ATOM 1058 C PRO A 79 -16.540 -2.501 -13.020 1.00 14.13 C ATOM 1059 O PRO A 79 -17.407 -1.667 -13.284 1.00 71.43 O ATOM 1060 CB PRO A 79 -17.149 -3.468 -10.785 1.00 63.32 C ATOM 1061 CG PRO A 79 -15.845 -3.724 -10.111 1.00 13.04 C ATOM 1062 CD PRO A 79 -15.201 -4.852 -10.869 1.00 1.55 C ATOM 0 HA PRO A 79 -17.754 -4.189 -12.783 1.00 21.11 H new ATOM 0 HB2 PRO A 79 -17.470 -2.436 -10.647 1.00 63.32 H new ATOM 0 HB3 PRO A 79 -17.936 -4.104 -10.379 1.00 63.32 H new ATOM 0 HG2 PRO A 79 -15.216 -2.834 -10.127 1.00 13.04 H new ATOM 0 HG3 PRO A 79 -15.992 -3.991 -9.065 1.00 13.04 H new ATOM 0 HD2 PRO A 79 -14.115 -4.760 -10.881 1.00 1.55 H new ATOM 0 HD3 PRO A 79 -15.434 -5.820 -10.424 1.00 1.55 H new ATOM 1070 N TYR A 80 -15.267 -2.355 -13.367 1.00 5.44 N ATOM 1071 CA TYR A 80 -14.802 -1.178 -14.093 1.00 34.44 C ATOM 1072 C TYR A 80 -14.872 -1.406 -15.600 1.00 12.24 C ATOM 1073 O TYR A 80 -14.829 -2.542 -16.071 1.00 61.32 O ATOM 1074 CB TYR A 80 -13.370 -0.833 -13.684 1.00 25.25 C ATOM 1075 CG TYR A 80 -13.232 -0.447 -12.228 1.00 64.31 C ATOM 1076 CD1 TYR A 80 -13.327 -1.403 -11.224 1.00 12.02 C ATOM 1077 CD2 TYR A 80 -13.007 0.873 -11.857 1.00 21.50 C ATOM 1078 CE1 TYR A 80 -13.203 -1.055 -9.893 1.00 24.13 C ATOM 1079 CE2 TYR A 80 -12.879 1.229 -10.529 1.00 15.25 C ATOM 1080 CZ TYR A 80 -12.978 0.262 -9.550 1.00 73.01 C ATOM 1081 OH TYR A 80 -12.853 0.614 -8.226 1.00 34.54 O ATOM 0 H TYR A 80 -14.538 -3.037 -13.158 1.00 5.44 H new ATOM 0 HA TYR A 80 -15.456 -0.344 -13.839 1.00 34.44 H new ATOM 0 HB2 TYR A 80 -12.727 -1.689 -13.887 1.00 25.25 H new ATOM 0 HB3 TYR A 80 -13.012 -0.012 -14.304 1.00 25.25 H new ATOM 0 HD1 TYR A 80 -13.501 -2.436 -11.489 1.00 12.02 H new ATOM 0 HD2 TYR A 80 -12.931 1.633 -12.620 1.00 21.50 H new ATOM 0 HE1 TYR A 80 -13.282 -1.810 -9.125 1.00 24.13 H new ATOM 0 HE2 TYR A 80 -12.702 2.259 -10.258 1.00 15.25 H new ATOM 0 HH TYR A 80 -12.697 1.579 -8.157 1.00 34.54 H new ATOM 1091 N LYS A 81 -14.980 -0.315 -16.351 1.00 61.53 N ATOM 1092 CA LYS A 81 -15.054 -0.392 -17.805 1.00 61.45 C ATOM 1093 C LYS A 81 -13.661 -0.514 -18.415 1.00 71.24 C ATOM 1094 O LYS A 81 -13.512 -0.583 -19.636 1.00 2.42 O ATOM 1095 CB LYS A 81 -15.762 0.843 -18.367 1.00 22.13 C ATOM 1096 CG LYS A 81 -17.267 0.826 -18.165 1.00 31.43 C ATOM 1097 CD LYS A 81 -17.835 2.233 -18.087 1.00 34.33 C ATOM 1098 CE LYS A 81 -17.702 2.811 -16.686 1.00 74.41 C ATOM 1099 NZ LYS A 81 -18.304 4.169 -16.587 1.00 53.22 N ATOM 0 H LYS A 81 -15.018 0.633 -15.976 1.00 61.53 H new ATOM 0 HA LYS A 81 -15.626 -1.282 -18.068 1.00 61.45 H new ATOM 0 HB2 LYS A 81 -15.350 1.734 -17.893 1.00 22.13 H new ATOM 0 HB3 LYS A 81 -15.548 0.921 -19.433 1.00 22.13 H new ATOM 0 HG2 LYS A 81 -17.739 0.287 -18.986 1.00 31.43 H new ATOM 0 HG3 LYS A 81 -17.506 0.285 -17.250 1.00 31.43 H new ATOM 0 HD2 LYS A 81 -17.316 2.876 -18.798 1.00 34.33 H new ATOM 0 HD3 LYS A 81 -18.885 2.219 -18.378 1.00 34.33 H new ATOM 0 HE2 LYS A 81 -18.187 2.146 -15.971 1.00 74.41 H new ATOM 0 HE3 LYS A 81 -16.648 2.860 -16.412 1.00 74.41 H new ATOM 0 HZ1 LYS A 81 -18.193 4.528 -15.617 1.00 53.22 H new ATOM 0 HZ2 LYS A 81 -17.825 4.810 -17.251 1.00 53.22 H new ATOM 0 HZ3 LYS A 81 -19.315 4.118 -16.824 1.00 53.22 H new ATOM 1113 N ILE A 82 -12.646 -0.542 -17.559 1.00 64.11 N ATOM 1114 CA ILE A 82 -11.266 -0.658 -18.015 1.00 21.54 C ATOM 1115 C ILE A 82 -10.900 0.483 -18.957 1.00 2.44 C ATOM 1116 O ILE A 82 -11.192 0.434 -20.151 1.00 41.13 O ATOM 1117 CB ILE A 82 -11.021 -1.999 -18.732 1.00 30.21 C ATOM 1118 CG1 ILE A 82 -10.979 -3.145 -17.718 1.00 54.43 C ATOM 1119 CG2 ILE A 82 -9.727 -1.944 -19.531 1.00 33.15 C ATOM 1120 CD1 ILE A 82 -9.744 -3.134 -16.845 1.00 72.32 C ATOM 0 H ILE A 82 -12.753 -0.486 -16.546 1.00 64.11 H new ATOM 0 HA ILE A 82 -10.636 -0.609 -17.127 1.00 21.54 H new ATOM 0 HB ILE A 82 -11.844 -2.180 -19.423 1.00 30.21 H new ATOM 0 HG12 ILE A 82 -11.863 -3.090 -17.083 1.00 54.43 H new ATOM 0 HG13 ILE A 82 -11.028 -4.094 -18.252 1.00 54.43 H new ATOM 0 HG21 ILE A 82 -9.568 -2.899 -20.032 1.00 33.15 H new ATOM 0 HG22 ILE A 82 -9.792 -1.150 -20.275 1.00 33.15 H new ATOM 0 HG23 ILE A 82 -8.893 -1.743 -18.859 1.00 33.15 H new ATOM 0 HD11 ILE A 82 -9.782 -3.974 -16.151 1.00 72.32 H new ATOM 0 HD12 ILE A 82 -8.855 -3.220 -17.471 1.00 72.32 H new ATOM 0 HD13 ILE A 82 -9.704 -2.201 -16.283 1.00 72.32 H new ATOM 1132 N SER A 83 -10.257 1.511 -18.411 1.00 22.34 N ATOM 1133 CA SER A 83 -9.852 2.667 -19.202 1.00 22.24 C ATOM 1134 C SER A 83 -8.391 3.021 -18.938 1.00 34.03 C ATOM 1135 O SER A 83 -8.022 3.398 -17.825 1.00 33.21 O ATOM 1136 CB SER A 83 -10.745 3.867 -18.883 1.00 51.34 C ATOM 1137 OG SER A 83 -10.110 5.084 -19.237 1.00 23.31 O ATOM 0 H SER A 83 -10.006 1.566 -17.424 1.00 22.34 H new ATOM 0 HA SER A 83 -9.961 2.412 -20.256 1.00 22.24 H new ATOM 0 HB2 SER A 83 -11.688 3.775 -19.421 1.00 51.34 H new ATOM 0 HB3 SER A 83 -10.984 3.874 -17.820 1.00 51.34 H new ATOM 0 HG SER A 83 -10.109 5.689 -18.466 1.00 23.31 H new ATOM 1143 N THR A 84 -7.563 2.897 -19.970 1.00 50.11 N ATOM 1144 CA THR A 84 -6.143 3.202 -19.851 1.00 41.34 C ATOM 1145 C THR A 84 -5.921 4.684 -19.570 1.00 64.03 C ATOM 1146 O THR A 84 -4.822 5.099 -19.199 1.00 30.31 O ATOM 1147 CB THR A 84 -5.376 2.813 -21.129 1.00 41.23 C ATOM 1148 OG1 THR A 84 -5.939 3.484 -22.262 1.00 51.01 O ATOM 1149 CG2 THR A 84 -5.421 1.309 -21.350 1.00 62.24 C ATOM 0 H THR A 84 -7.852 2.587 -20.898 1.00 50.11 H new ATOM 0 HA THR A 84 -5.762 2.615 -19.015 1.00 41.34 H new ATOM 0 HB THR A 84 -4.336 3.116 -21.008 1.00 41.23 H new ATOM 0 HG1 THR A 84 -5.445 3.233 -23.070 1.00 51.01 H new ATOM 0 HG21 THR A 84 -4.873 1.058 -22.258 1.00 62.24 H new ATOM 0 HG22 THR A 84 -4.965 0.802 -20.499 1.00 62.24 H new ATOM 0 HG23 THR A 84 -6.457 0.987 -21.451 1.00 62.24 H new ATOM 1157 N THR A 85 -6.971 5.480 -19.749 1.00 24.31 N ATOM 1158 CA THR A 85 -6.890 6.916 -19.515 1.00 22.12 C ATOM 1159 C THR A 85 -7.286 7.263 -18.084 1.00 73.04 C ATOM 1160 O THR A 85 -7.037 8.372 -17.611 1.00 53.43 O ATOM 1161 CB THR A 85 -7.793 7.696 -20.489 1.00 63.43 C ATOM 1162 OG1 THR A 85 -9.170 7.461 -20.176 1.00 21.53 O ATOM 1163 CG2 THR A 85 -7.518 7.285 -21.928 1.00 64.10 C ATOM 0 H THR A 85 -7.888 5.154 -20.055 1.00 24.31 H new ATOM 0 HA THR A 85 -5.853 7.205 -19.682 1.00 22.12 H new ATOM 0 HB THR A 85 -7.573 8.758 -20.382 1.00 63.43 H new ATOM 0 HG1 THR A 85 -9.283 6.536 -19.873 1.00 21.53 H new ATOM 0 HG21 THR A 85 -8.167 7.849 -22.598 1.00 64.10 H new ATOM 0 HG22 THR A 85 -6.476 7.492 -22.173 1.00 64.10 H new ATOM 0 HG23 THR A 85 -7.713 6.219 -22.046 1.00 64.10 H new ATOM 1171 N THR A 86 -7.905 6.307 -17.398 1.00 2.00 N ATOM 1172 CA THR A 86 -8.336 6.512 -16.021 1.00 73.11 C ATOM 1173 C THR A 86 -7.151 6.482 -15.063 1.00 62.02 C ATOM 1174 O THR A 86 -6.280 5.619 -15.166 1.00 0.25 O ATOM 1175 CB THR A 86 -9.359 5.444 -15.588 1.00 42.40 C ATOM 1176 OG1 THR A 86 -10.564 5.584 -16.348 1.00 72.44 O ATOM 1177 CG2 THR A 86 -9.672 5.566 -14.104 1.00 72.34 C ATOM 0 H THR A 86 -8.119 5.383 -17.774 1.00 2.00 H new ATOM 0 HA THR A 86 -8.807 7.494 -15.980 1.00 73.11 H new ATOM 0 HB THR A 86 -8.926 4.461 -15.772 1.00 42.40 H new ATOM 0 HG1 THR A 86 -11.261 5.012 -15.964 1.00 72.44 H new ATOM 0 HG21 THR A 86 -10.396 4.802 -13.821 1.00 72.34 H new ATOM 0 HG22 THR A 86 -8.757 5.430 -13.527 1.00 72.34 H new ATOM 0 HG23 THR A 86 -10.087 6.553 -13.900 1.00 72.34 H new ATOM 1185 N ASN A 87 -7.125 7.430 -14.132 1.00 24.33 N ATOM 1186 CA ASN A 87 -6.045 7.511 -13.155 1.00 1.24 C ATOM 1187 C ASN A 87 -6.315 6.592 -11.967 1.00 72.03 C ATOM 1188 O ASN A 87 -7.105 6.920 -11.081 1.00 71.23 O ATOM 1189 CB ASN A 87 -5.876 8.953 -12.670 1.00 24.52 C ATOM 1190 CG ASN A 87 -4.445 9.266 -12.278 1.00 44.30 C ATOM 1191 OD1 ASN A 87 -3.534 8.476 -12.525 1.00 60.41 O ATOM 1192 ND2 ASN A 87 -4.240 10.426 -11.663 1.00 74.52 N ATOM 0 H ASN A 87 -7.839 8.152 -14.033 1.00 24.33 H new ATOM 0 HA ASN A 87 -5.124 7.187 -13.640 1.00 1.24 H new ATOM 0 HB2 ASN A 87 -6.193 9.638 -13.457 1.00 24.52 H new ATOM 0 HB3 ASN A 87 -6.530 9.125 -11.815 1.00 24.52 H new ATOM 0 HD21 ASN A 87 -3.298 10.692 -11.376 1.00 74.52 H new ATOM 0 HD22 ASN A 87 -5.025 11.051 -11.478 1.00 74.52 H new ATOM 1199 N CYS A 88 -5.654 5.440 -11.956 1.00 23.43 N ATOM 1200 CA CYS A 88 -5.821 4.472 -10.878 1.00 72.13 C ATOM 1201 C CYS A 88 -5.252 5.012 -9.569 1.00 74.42 C ATOM 1202 O CYS A 88 -5.446 4.423 -8.507 1.00 33.52 O ATOM 1203 CB CYS A 88 -5.136 3.152 -11.239 1.00 15.11 C ATOM 1204 SG CYS A 88 -5.951 2.236 -12.586 1.00 33.51 S ATOM 0 H CYS A 88 -4.997 5.153 -12.682 1.00 23.43 H new ATOM 0 HA CYS A 88 -6.888 4.295 -10.744 1.00 72.13 H new ATOM 0 HB2 CYS A 88 -4.104 3.357 -11.525 1.00 15.11 H new ATOM 0 HB3 CYS A 88 -5.101 2.519 -10.353 1.00 15.11 H new ATOM 1209 N ASN A 89 -4.549 6.136 -9.655 1.00 14.40 N ATOM 1210 CA ASN A 89 -3.952 6.756 -8.478 1.00 21.13 C ATOM 1211 C ASN A 89 -4.995 7.539 -7.686 1.00 73.51 C ATOM 1212 O ASN A 89 -4.792 7.857 -6.514 1.00 32.11 O ATOM 1213 CB ASN A 89 -2.807 7.683 -8.889 1.00 43.34 C ATOM 1214 CG ASN A 89 -2.822 8.994 -8.127 1.00 42.33 C ATOM 1215 OD1 ASN A 89 -2.184 9.125 -7.082 1.00 51.14 O ATOM 1216 ND2 ASN A 89 -3.553 9.973 -8.648 1.00 63.14 N ATOM 0 H ASN A 89 -4.379 6.636 -10.527 1.00 14.40 H new ATOM 0 HA ASN A 89 -3.559 5.963 -7.842 1.00 21.13 H new ATOM 0 HB2 ASN A 89 -1.856 7.178 -8.719 1.00 43.34 H new ATOM 0 HB3 ASN A 89 -2.874 7.886 -9.958 1.00 43.34 H new ATOM 0 HD21 ASN A 89 -3.602 10.878 -8.180 1.00 63.14 H new ATOM 0 HD22 ASN A 89 -4.066 9.820 -9.516 1.00 63.14 H new ATOM 1223 N THR A 90 -6.115 7.846 -8.335 1.00 25.33 N ATOM 1224 CA THR A 90 -7.190 8.591 -7.693 1.00 2.12 C ATOM 1225 C THR A 90 -8.302 7.659 -7.225 1.00 40.24 C ATOM 1226 O THR A 90 -9.433 8.090 -7.001 1.00 31.14 O ATOM 1227 CB THR A 90 -7.786 9.647 -8.642 1.00 41.44 C ATOM 1228 OG1 THR A 90 -8.285 9.016 -9.827 1.00 20.45 O ATOM 1229 CG2 THR A 90 -6.742 10.688 -9.018 1.00 63.22 C ATOM 0 H THR A 90 -6.300 7.590 -9.305 1.00 25.33 H new ATOM 0 HA THR A 90 -6.754 9.094 -6.830 1.00 2.12 H new ATOM 0 HB THR A 90 -8.605 10.147 -8.124 1.00 41.44 H new ATOM 0 HG1 THR A 90 -7.623 8.374 -10.159 1.00 20.45 H new ATOM 0 HG21 THR A 90 -7.186 11.423 -9.689 1.00 63.22 H new ATOM 0 HG22 THR A 90 -6.385 11.188 -8.117 1.00 63.22 H new ATOM 0 HG23 THR A 90 -5.905 10.200 -9.518 1.00 63.22 H new ATOM 1237 N VAL A 91 -7.973 6.379 -7.080 1.00 54.32 N ATOM 1238 CA VAL A 91 -8.945 5.386 -6.637 1.00 43.23 C ATOM 1239 C VAL A 91 -8.962 5.274 -5.117 1.00 63.00 C ATOM 1240 O VAL A 91 -7.937 5.453 -4.458 1.00 60.44 O ATOM 1241 CB VAL A 91 -8.645 4.001 -7.240 1.00 74.21 C ATOM 1242 CG1 VAL A 91 -8.515 4.093 -8.753 1.00 14.12 C ATOM 1243 CG2 VAL A 91 -7.385 3.413 -6.623 1.00 71.13 C ATOM 0 H VAL A 91 -7.042 6.006 -7.263 1.00 54.32 H new ATOM 0 HA VAL A 91 -9.922 5.722 -6.984 1.00 43.23 H new ATOM 0 HB VAL A 91 -9.478 3.337 -7.011 1.00 74.21 H new ATOM 0 HG11 VAL A 91 -8.303 3.105 -9.161 1.00 14.12 H new ATOM 0 HG12 VAL A 91 -9.447 4.468 -9.176 1.00 14.12 H new ATOM 0 HG13 VAL A 91 -7.702 4.773 -9.008 1.00 14.12 H new ATOM 0 HG21 VAL A 91 -7.188 2.434 -7.061 1.00 71.13 H new ATOM 0 HG22 VAL A 91 -6.541 4.075 -6.819 1.00 71.13 H new ATOM 0 HG23 VAL A 91 -7.522 3.308 -5.547 1.00 71.13 H new ATOM 1253 N LYS A 92 -10.133 4.976 -4.564 1.00 42.24 N ATOM 1254 CA LYS A 92 -10.285 4.838 -3.121 1.00 31.30 C ATOM 1255 C LYS A 92 -11.424 3.880 -2.783 1.00 44.43 C ATOM 1256 O LYS A 92 -12.593 4.182 -3.023 1.00 71.30 O ATOM 1257 CB LYS A 92 -10.546 6.203 -2.482 1.00 14.43 C ATOM 1258 CG LYS A 92 -11.282 6.123 -1.155 1.00 51.22 C ATOM 1259 CD LYS A 92 -10.537 5.255 -0.156 1.00 24.13 C ATOM 1260 CE LYS A 92 -10.734 5.750 1.269 1.00 61.01 C ATOM 1261 NZ LYS A 92 -12.054 5.337 1.822 1.00 44.53 N ATOM 0 H LYS A 92 -10.991 4.825 -5.094 1.00 42.24 H new ATOM 0 HA LYS A 92 -9.358 4.428 -2.721 1.00 31.30 H new ATOM 0 HB2 LYS A 92 -9.594 6.712 -2.330 1.00 14.43 H new ATOM 0 HB3 LYS A 92 -11.126 6.814 -3.174 1.00 14.43 H new ATOM 0 HG2 LYS A 92 -11.406 7.126 -0.746 1.00 51.22 H new ATOM 0 HG3 LYS A 92 -12.281 5.718 -1.316 1.00 51.22 H new ATOM 0 HD2 LYS A 92 -10.886 4.225 -0.236 1.00 24.13 H new ATOM 0 HD3 LYS A 92 -9.474 5.251 -0.397 1.00 24.13 H new ATOM 0 HE2 LYS A 92 -9.937 5.360 1.902 1.00 61.01 H new ATOM 0 HE3 LYS A 92 -10.655 6.837 1.290 1.00 61.01 H new ATOM 0 HZ1 LYS A 92 -11.995 5.286 2.859 1.00 44.53 H new ATOM 0 HZ2 LYS A 92 -12.777 6.033 1.550 1.00 44.53 H new ATOM 0 HZ3 LYS A 92 -12.312 4.404 1.443 1.00 44.53 H new ATOM 1275 N PHE A 93 -11.074 2.726 -2.224 1.00 52.45 N ATOM 1276 CA PHE A 93 -12.067 1.725 -1.853 1.00 52.13 C ATOM 1277 C PHE A 93 -12.974 2.244 -0.741 1.00 43.30 C ATOM 1278 O PHE A 93 -12.497 2.467 0.371 1.00 42.13 O ATOM 1279 CB PHE A 93 -11.378 0.435 -1.405 1.00 33.34 C ATOM 1280 CG PHE A 93 -12.292 -0.512 -0.679 1.00 42.43 C ATOM 1281 CD1 PHE A 93 -12.060 -0.839 0.647 1.00 73.11 C ATOM 1282 CD2 PHE A 93 -13.382 -1.074 -1.324 1.00 23.00 C ATOM 1283 CE1 PHE A 93 -12.899 -1.709 1.317 1.00 31.35 C ATOM 1284 CE2 PHE A 93 -14.224 -1.944 -0.659 1.00 32.45 C ATOM 1285 CZ PHE A 93 -13.982 -2.263 0.663 1.00 21.44 C ATOM 0 H PHE A 93 -10.111 2.461 -2.018 1.00 52.45 H new ATOM 0 HA PHE A 93 -12.681 1.516 -2.729 1.00 52.13 H new ATOM 0 HB2 PHE A 93 -10.965 -0.069 -2.279 1.00 33.34 H new ATOM 0 HB3 PHE A 93 -10.539 0.687 -0.756 1.00 33.34 H new ATOM 0 HD1 PHE A 93 -11.214 -0.409 1.163 1.00 73.11 H new ATOM 0 HD2 PHE A 93 -13.575 -0.829 -2.358 1.00 23.00 H new ATOM 0 HE1 PHE A 93 -12.708 -1.955 2.351 1.00 31.35 H new ATOM 0 HE2 PHE A 93 -15.071 -2.375 -1.172 1.00 32.45 H new ATOM 0 HZ PHE A 93 -14.638 -2.944 1.184 1.00 21.44 H new TER 1295 PHE A 93 HETATM 1296 C1 PGM A 101 9.683 -6.134 -23.400 1.00 24.21 C HETATM 1297 O1 PGM A 101 10.351 -7.367 -23.679 1.00 64.34 O HETATM 1298 C2 PGM A 101 10.570 -4.926 -23.741 1.00 54.23 C HETATM 1299 O2 PGM A 101 10.471 -4.694 -25.144 1.00 13.51 O HETATM 1300 C3 PGM A 101 9.921 -3.723 -23.057 1.00 43.22 C HETATM 1301 O4 PGM A 101 10.160 -3.682 -21.643 1.00 71.24 O HETATM 1302 P5 PGM A 101 9.429 -2.435 -20.922 1.00 24.21 P HETATM 1303 O5A PGM A 101 9.001 -1.268 -21.718 1.00 72.24 O HETATM 1304 O5B PGM A 101 10.168 -2.098 -19.693 1.00 51.41 O HETATM 1305 O6 PGM A 101 8.004 -3.042 -20.473 1.00 5.24 O HETATM 1306 C7 PGM A 101 8.129 -4.216 -19.681 1.00 42.44 C HETATM 1307 C8 PGM A 101 6.858 -5.031 -19.446 1.00 54.23 C HETATM 1308 O8 PGM A 101 6.307 -5.618 -20.635 1.00 54.33 O HETATM 1309 C9 PGM A 101 5.822 -4.104 -18.814 1.00 32.45 C HETATM 1310 OQ1 PGM A 101 3.853 -2.785 -20.050 1.00 61.12 O HETATM 1311 OQ2 PGM A 101 4.512 -4.670 -18.992 1.00 24.14 O HETATM 1312 CA PGM A 101 3.565 -3.871 -19.577 1.00 24.15 C HETATM 1313 CB PGM A 101 2.120 -4.355 -19.703 1.00 71.31 C HETATM 1314 CC PGM A 101 1.120 -3.386 -19.046 1.00 64.30 C HETATM 1315 CD PGM A 101 -0.244 -3.750 -19.635 1.00 41.01 C HETATM 1316 CE PGM A 101 -1.395 -3.462 -18.658 1.00 25.52 C HETATM 1317 CF PGM A 101 -2.780 -3.487 -19.295 1.00 14.11 C HETATM 1318 CG PGM A 101 -3.410 -2.135 -19.654 1.00 10.23 C HETATM 1319 CH PGM A 101 -3.576 -1.206 -18.453 1.00 53.12 C HETATM 1320 CI PGM A 101 -4.847 -1.694 -17.743 1.00 33.02 C HETATM 1321 CJ PGM A 101 -4.503 -2.592 -16.556 1.00 61.34 C HETATM 1322 CK PGM A 101 -5.272 -2.217 -15.290 1.00 24.22 C HETATM 1323 CL PGM A 101 -4.958 -3.232 -14.189 1.00 25.51 C HETATM 1324 CM PGM A 101 -5.650 -2.661 -12.949 1.00 54.21 C HETATM 1325 CN PGM A 101 -6.087 -3.890 -12.164 1.00 4.11 C HETATM 1326 CO PGM A 101 -4.854 -4.368 -11.382 1.00 2.21 C HETATM 1327 CP PGM A 101 -3.988 -5.479 -11.975 1.00 64.55 C HETATM 0 HCP3 PGM A 101 -4.591 -6.377 -12.111 1.00 64.55 H new HETATM 0 HCP2 PGM A 101 -3.593 -5.157 -12.939 1.00 64.55 H new HETATM 0 HCP1 PGM A 101 -3.161 -5.696 -11.299 1.00 64.55 H new HETATM 0 HCO2 PGM A 101 -4.212 -3.502 -11.217 1.00 2.21 H new HETATM 0 HCO1 PGM A 101 -5.195 -4.703 -10.402 1.00 2.21 H new HETATM 0 HCN2 PGM A 101 -6.906 -3.647 -11.487 1.00 4.11 H new HETATM 0 HCN1 PGM A 101 -6.448 -4.670 -12.834 1.00 4.11 H new HETATM 0 HCM2 PGM A 101 -4.972 -2.037 -12.367 1.00 54.21 H new HETATM 0 HCM1 PGM A 101 -6.502 -2.038 -13.220 1.00 54.21 H new HETATM 0 HCL2 PGM A 101 -5.340 -4.222 -14.438 1.00 25.51 H new HETATM 0 HCL1 PGM A 101 -3.884 -3.334 -14.035 1.00 25.51 H new HETATM 0 HCK2 PGM A 101 -4.995 -1.214 -14.966 1.00 24.22 H new HETATM 0 HCK1 PGM A 101 -6.343 -2.202 -15.492 1.00 24.22 H new HETATM 0 HCJ2 PGM A 101 -4.721 -3.628 -16.815 1.00 61.34 H new HETATM 0 HCJ1 PGM A 101 -3.433 -2.531 -16.358 1.00 61.34 H new HETATM 0 HCI2 PGM A 101 -5.427 -0.838 -17.399 1.00 33.02 H new HETATM 0 HCI1 PGM A 101 -5.474 -2.241 -18.447 1.00 33.02 H new HETATM 0 HCH2 PGM A 101 -2.711 -1.257 -17.792 1.00 53.12 H new HETATM 0 HCH1 PGM A 101 -3.675 -0.167 -18.769 1.00 53.12 H new HETATM 0 HCG2 PGM A 101 -2.791 -1.641 -20.403 1.00 10.23 H new HETATM 0 HCG1 PGM A 101 -4.385 -2.306 -20.109 1.00 10.23 H new HETATM 0 HCF2 PGM A 101 -2.723 -4.085 -20.204 1.00 14.11 H new HETATM 0 HCF1 PGM A 101 -3.456 -4.005 -18.614 1.00 14.11 H new HETATM 0 HCE2 PGM A 101 -1.365 -4.196 -17.853 1.00 25.52 H new HETATM 0 HCE1 PGM A 101 -1.234 -2.484 -18.204 1.00 25.52 H new HETATM 0 HCD2 PGM A 101 -0.402 -3.188 -20.555 1.00 41.01 H new HETATM 0 HCD1 PGM A 101 -0.252 -4.807 -19.902 1.00 41.01 H new HETATM 0 HCC2 PGM A 101 1.122 -3.495 -17.961 1.00 64.30 H new HETATM 0 HCC1 PGM A 101 1.377 -2.349 -19.262 1.00 64.30 H new HETATM 0 HCB2 PGM A 101 1.869 -4.473 -20.757 1.00 71.31 H new HETATM 0 HCB1 PGM A 101 2.027 -5.338 -19.241 1.00 71.31 H new HETATM 0 HC92 PGM A 101 6.033 -3.972 -17.753 1.00 32.45 H new HETATM 0 HC91 PGM A 101 5.871 -3.117 -19.274 1.00 32.45 H new HETATM 0 HC72 PGM A 101 8.866 -4.866 -20.152 1.00 42.44 H new HETATM 0 HC71 PGM A 101 8.532 -3.929 -18.710 1.00 42.44 H new HETATM 0 HC32 PGM A 101 10.300 -2.807 -23.510 1.00 43.22 H new HETATM 0 HC31 PGM A 101 8.846 -3.747 -23.237 1.00 43.22 H new HETATM 0 HC12 PGM A 101 8.758 -6.082 -23.974 1.00 24.21 H new HETATM 0 HC11 PGM A 101 9.407 -6.098 -22.346 1.00 24.21 H new HETATM 0 HO8 PGM A 101 5.333 -5.684 -20.546 1.00 54.33 H new HETATM 0 HO2 PGM A 101 11.028 -3.925 -25.389 1.00 13.51 H new HETATM 0 HO1 PGM A 101 9.763 -8.117 -23.451 1.00 64.34 H new HETATM 0 HC8 PGM A 101 7.121 -5.867 -18.797 1.00 54.23 H new HETATM 0 HC2 PGM A 101 11.605 -5.084 -23.437 1.00 54.23 H new