USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 683 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 83 ASN : amide:sc= 0 X(o=-0.0087,f=-0.0077) USER MOD Set 1.2: A 89 THR OG1 : rot -160:sc=-0.00868 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.939 K(o=-0.94,f=-0.25) USER MOD Single : A 5 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.69) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.028 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.761 K(o=-0.76,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.795 USER MOD Single : A 47 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 61 ASN : amide:sc= -1.65 K(o=-1.6,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 82 MET CE :methyl -128:sc= -0.293 (180deg=-1.19) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -140:sc= -1.1 USER MOD Single : A 92 ASN : amide:sc= -2.99 K(o=-3,f=-5.1!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.895 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.676 -2.053 -1.185 1.00 70.13 N ATOM 9 CA SER A 2 4.974 -2.716 -1.146 1.00 50.10 C ATOM 10 C SER A 2 4.810 -4.224 -0.986 1.00 54.14 C ATOM 11 O SER A 2 4.414 -4.706 0.075 1.00 21.33 O ATOM 12 CB SER A 2 5.820 -2.158 0.001 1.00 63.32 C ATOM 13 OG SER A 2 6.683 -3.152 0.526 1.00 11.11 O ATOM 0 HA SER A 2 5.482 -2.523 -2.091 1.00 50.10 H new ATOM 0 HB2 SER A 2 6.408 -1.312 -0.354 1.00 63.32 H new ATOM 0 HB3 SER A 2 5.168 -1.784 0.790 1.00 63.32 H new ATOM 0 HG SER A 2 7.214 -2.771 1.256 1.00 11.11 H new ATOM 19 N ALA A 3 5.116 -4.963 -2.047 1.00 41.54 N ATOM 20 CA ALA A 3 5.004 -6.416 -2.025 1.00 43.22 C ATOM 21 C ALA A 3 3.635 -6.853 -1.515 1.00 0.42 C ATOM 22 O ALA A 3 3.523 -7.443 -0.441 1.00 3.11 O ATOM 23 CB ALA A 3 6.106 -7.016 -1.166 1.00 21.04 C ATOM 0 H ALA A 3 5.444 -4.579 -2.933 1.00 41.54 H new ATOM 0 HA ALA A 3 5.115 -6.781 -3.046 1.00 43.22 H new ATOM 0 HB1 ALA A 3 6.011 -8.102 -1.158 1.00 21.04 H new ATOM 0 HB2 ALA A 3 7.078 -6.740 -1.576 1.00 21.04 H new ATOM 0 HB3 ALA A 3 6.021 -6.637 -0.148 1.00 21.04 H new ATOM 29 N GLN A 4 2.598 -6.559 -2.292 1.00 72.41 N ATOM 30 CA GLN A 4 1.236 -6.922 -1.917 1.00 2.24 C ATOM 31 C GLN A 4 0.848 -8.271 -2.514 1.00 22.12 C ATOM 32 O GLN A 4 1.051 -8.516 -3.702 1.00 65.11 O ATOM 33 CB GLN A 4 0.253 -5.845 -2.379 1.00 11.25 C ATOM 34 CG GLN A 4 -1.155 -6.035 -1.839 1.00 42.14 C ATOM 35 CD GLN A 4 -1.172 -6.440 -0.379 1.00 41.52 C ATOM 36 OE1 GLN A 4 -0.759 -5.676 0.493 1.00 0.21 O ATOM 37 NE2 GLN A 4 -1.651 -7.647 -0.104 1.00 20.22 N ATOM 0 H GLN A 4 2.674 -6.071 -3.184 1.00 72.41 H new ATOM 0 HA GLN A 4 1.194 -7.000 -0.831 1.00 2.24 H new ATOM 0 HB2 GLN A 4 0.624 -4.869 -2.068 1.00 11.25 H new ATOM 0 HB3 GLN A 4 0.218 -5.840 -3.468 1.00 11.25 H new ATOM 0 HG2 GLN A 4 -1.715 -5.108 -1.961 1.00 42.14 H new ATOM 0 HG3 GLN A 4 -1.666 -6.796 -2.429 1.00 42.14 H new ATOM 0 HE21 GLN A 4 -1.983 -8.248 -0.858 1.00 20.22 H new ATOM 0 HE22 GLN A 4 -1.687 -7.974 0.862 1.00 20.22 H new ATOM 46 N ASN A 5 0.288 -9.142 -1.681 1.00 1.05 N ATOM 47 CA ASN A 5 -0.128 -10.467 -2.126 1.00 61.23 C ATOM 48 C ASN A 5 -1.578 -10.451 -2.601 1.00 32.21 C ATOM 49 O ASN A 5 -2.484 -10.093 -1.847 1.00 74.41 O ATOM 50 CB ASN A 5 0.040 -11.484 -0.996 1.00 52.14 C ATOM 51 CG ASN A 5 -0.917 -11.234 0.154 1.00 53.51 C ATOM 52 OD1 ASN A 5 -0.656 -10.402 1.023 1.00 21.25 O ATOM 53 ND2 ASN A 5 -2.033 -11.954 0.162 1.00 13.12 N ATOM 0 H ASN A 5 0.112 -8.954 -0.694 1.00 1.05 H new ATOM 0 HA ASN A 5 0.506 -10.757 -2.963 1.00 61.23 H new ATOM 0 HB2 ASN A 5 -0.122 -12.488 -1.388 1.00 52.14 H new ATOM 0 HB3 ASN A 5 1.065 -11.447 -0.627 1.00 52.14 H new ATOM 0 HD21 ASN A 5 -2.716 -11.828 0.909 1.00 13.12 H new ATOM 0 HD22 ASN A 5 -2.208 -12.632 -0.579 1.00 13.12 H new ATOM 60 N ILE A 6 -1.790 -10.841 -3.853 1.00 4.13 N ATOM 61 CA ILE A 6 -3.129 -10.873 -4.427 1.00 50.10 C ATOM 62 C ILE A 6 -3.450 -12.250 -4.997 1.00 73.13 C ATOM 63 O ILE A 6 -2.691 -12.796 -5.800 1.00 12.43 O ATOM 64 CB ILE A 6 -3.292 -9.819 -5.538 1.00 20.54 C ATOM 65 CG1 ILE A 6 -3.209 -8.410 -4.949 1.00 11.35 C ATOM 66 CG2 ILE A 6 -4.612 -10.018 -6.268 1.00 25.13 C ATOM 67 CD1 ILE A 6 -1.793 -7.899 -4.800 1.00 41.31 C ATOM 0 H ILE A 6 -1.051 -11.139 -4.490 1.00 4.13 H new ATOM 0 HA ILE A 6 -3.824 -10.646 -3.618 1.00 50.10 H new ATOM 0 HB ILE A 6 -2.481 -9.941 -6.256 1.00 20.54 H new ATOM 0 HG12 ILE A 6 -3.768 -7.725 -5.586 1.00 11.35 H new ATOM 0 HG13 ILE A 6 -3.693 -8.404 -3.972 1.00 11.35 H new ATOM 0 HG21 ILE A 6 -4.712 -9.265 -7.050 1.00 25.13 H new ATOM 0 HG22 ILE A 6 -4.634 -11.012 -6.716 1.00 25.13 H new ATOM 0 HG23 ILE A 6 -5.437 -9.920 -5.562 1.00 25.13 H new ATOM 0 HD11 ILE A 6 -1.811 -6.895 -4.377 1.00 41.31 H new ATOM 0 HD12 ILE A 6 -1.235 -8.562 -4.139 1.00 41.31 H new ATOM 0 HD13 ILE A 6 -1.311 -7.872 -5.777 1.00 41.31 H new ATOM 79 N THR A 7 -4.582 -12.810 -4.580 1.00 14.24 N ATOM 80 CA THR A 7 -5.005 -14.122 -5.049 1.00 61.42 C ATOM 81 C THR A 7 -5.953 -14.003 -6.236 1.00 40.13 C ATOM 82 O THR A 7 -6.788 -13.100 -6.288 1.00 21.12 O ATOM 83 CB THR A 7 -5.699 -14.923 -3.931 1.00 50.20 C ATOM 84 OG1 THR A 7 -6.465 -14.041 -3.102 1.00 21.51 O ATOM 85 CG2 THR A 7 -4.678 -15.665 -3.083 1.00 3.02 C ATOM 0 H THR A 7 -5.222 -12.373 -3.917 1.00 14.24 H new ATOM 0 HA THR A 7 -4.104 -14.651 -5.359 1.00 61.42 H new ATOM 0 HB THR A 7 -6.362 -15.654 -4.394 1.00 50.20 H new ATOM 0 HG1 THR A 7 -6.905 -14.557 -2.394 1.00 21.51 H new ATOM 0 HG21 THR A 7 -5.192 -16.223 -2.300 1.00 3.02 H new ATOM 0 HG22 THR A 7 -4.116 -16.355 -3.712 1.00 3.02 H new ATOM 0 HG23 THR A 7 -3.994 -14.949 -2.628 1.00 3.02 H new ATOM 93 N ALA A 8 -5.820 -14.920 -7.189 1.00 63.42 N ATOM 94 CA ALA A 8 -6.668 -14.918 -8.375 1.00 64.30 C ATOM 95 C ALA A 8 -6.904 -16.338 -8.883 1.00 12.41 C ATOM 96 O ALA A 8 -6.247 -17.281 -8.445 1.00 24.44 O ATOM 97 CB ALA A 8 -6.046 -14.062 -9.467 1.00 44.10 C ATOM 0 H ALA A 8 -5.133 -15.674 -7.163 1.00 63.42 H new ATOM 0 HA ALA A 8 -7.633 -14.492 -8.101 1.00 64.30 H new ATOM 0 HB1 ALA A 8 -6.690 -14.070 -10.346 1.00 44.10 H new ATOM 0 HB2 ALA A 8 -5.934 -13.039 -9.108 1.00 44.10 H new ATOM 0 HB3 ALA A 8 -5.067 -14.463 -9.730 1.00 44.10 H new ATOM 103 N ARG A 9 -7.847 -16.480 -9.808 1.00 64.10 N ATOM 104 CA ARG A 9 -8.171 -17.784 -10.374 1.00 44.22 C ATOM 105 C ARG A 9 -7.749 -17.861 -11.839 1.00 31.24 C ATOM 106 O ARG A 9 -7.767 -16.859 -12.554 1.00 74.12 O ATOM 107 CB ARG A 9 -9.670 -18.060 -10.249 1.00 1.42 C ATOM 108 CG ARG A 9 -10.082 -18.578 -8.881 1.00 73.41 C ATOM 109 CD ARG A 9 -10.326 -17.439 -7.904 1.00 52.15 C ATOM 110 NE ARG A 9 -11.204 -17.837 -6.806 1.00 43.24 N ATOM 111 CZ ARG A 9 -10.801 -18.564 -5.771 1.00 31.22 C ATOM 112 NH1 ARG A 9 -9.541 -18.968 -5.691 1.00 20.25 N ATOM 113 NH2 ARG A 9 -11.659 -18.887 -4.811 1.00 43.12 N ATOM 0 H ARG A 9 -8.400 -15.709 -10.181 1.00 64.10 H new ATOM 0 HA ARG A 9 -7.621 -18.541 -9.815 1.00 44.22 H new ATOM 0 HB2 ARG A 9 -10.219 -17.142 -10.461 1.00 1.42 H new ATOM 0 HB3 ARG A 9 -9.961 -18.788 -11.006 1.00 1.42 H new ATOM 0 HG2 ARG A 9 -10.987 -19.178 -8.975 1.00 73.41 H new ATOM 0 HG3 ARG A 9 -9.304 -19.234 -8.490 1.00 73.41 H new ATOM 0 HD2 ARG A 9 -9.373 -17.098 -7.500 1.00 52.15 H new ATOM 0 HD3 ARG A 9 -10.768 -16.595 -8.434 1.00 52.15 H new ATOM 0 HE ARG A 9 -12.179 -17.540 -6.836 1.00 43.24 H new ATOM 0 HH11 ARG A 9 -8.878 -18.720 -6.426 1.00 20.25 H new ATOM 0 HH12 ARG A 9 -9.234 -19.526 -4.895 1.00 20.25 H new ATOM 0 HH21 ARG A 9 -12.629 -18.577 -4.868 1.00 43.12 H new ATOM 0 HH22 ARG A 9 -11.348 -19.446 -4.016 1.00 43.12 H new ATOM 127 N ILE A 10 -7.368 -19.056 -12.277 1.00 31.31 N ATOM 128 CA ILE A 10 -6.941 -19.264 -13.656 1.00 35.02 C ATOM 129 C ILE A 10 -8.105 -19.079 -14.624 1.00 1.43 C ATOM 130 O ILE A 10 -9.123 -19.763 -14.526 1.00 10.54 O ATOM 131 CB ILE A 10 -6.341 -20.668 -13.854 1.00 74.23 C ATOM 132 CG1 ILE A 10 -5.109 -20.851 -12.965 1.00 54.51 C ATOM 133 CG2 ILE A 10 -5.985 -20.890 -15.316 1.00 4.33 C ATOM 134 CD1 ILE A 10 -4.823 -22.295 -12.619 1.00 0.42 C ATOM 0 H ILE A 10 -7.346 -19.895 -11.697 1.00 31.31 H new ATOM 0 HA ILE A 10 -6.174 -18.518 -13.866 1.00 35.02 H new ATOM 0 HB ILE A 10 -7.086 -21.409 -13.565 1.00 74.23 H new ATOM 0 HG12 ILE A 10 -4.241 -20.428 -13.470 1.00 54.51 H new ATOM 0 HG13 ILE A 10 -5.249 -20.286 -12.044 1.00 54.51 H new ATOM 0 HG21 ILE A 10 -5.562 -21.887 -15.440 1.00 4.33 H new ATOM 0 HG22 ILE A 10 -6.883 -20.798 -15.927 1.00 4.33 H new ATOM 0 HG23 ILE A 10 -5.255 -20.144 -15.630 1.00 4.33 H new ATOM 0 HD11 ILE A 10 -3.937 -22.349 -11.987 1.00 0.42 H new ATOM 0 HD12 ILE A 10 -5.675 -22.717 -12.086 1.00 0.42 H new ATOM 0 HD13 ILE A 10 -4.651 -22.861 -13.534 1.00 0.42 H new ATOM 146 N GLY A 11 -7.945 -18.149 -15.562 1.00 74.41 N ATOM 147 CA GLY A 11 -8.989 -17.893 -16.536 1.00 14.40 C ATOM 148 C GLY A 11 -9.772 -16.631 -16.227 1.00 72.13 C ATOM 149 O GLY A 11 -10.570 -16.173 -17.045 1.00 0.42 O ATOM 0 H GLY A 11 -7.112 -17.570 -15.664 1.00 74.41 H new ATOM 0 HA2 GLY A 11 -8.544 -17.808 -17.527 1.00 14.40 H new ATOM 0 HA3 GLY A 11 -9.671 -18.743 -16.565 1.00 14.40 H new ATOM 153 N GLU A 12 -9.547 -16.070 -15.044 1.00 23.55 N ATOM 154 CA GLU A 12 -10.240 -14.857 -14.629 1.00 2.21 C ATOM 155 C GLU A 12 -9.337 -13.635 -14.783 1.00 72.45 C ATOM 156 O GLU A 12 -8.131 -13.689 -14.541 1.00 52.12 O ATOM 157 CB GLU A 12 -10.706 -14.980 -13.176 1.00 64.23 C ATOM 158 CG GLU A 12 -9.637 -14.615 -12.161 1.00 20.42 C ATOM 159 CD GLU A 12 -9.727 -13.169 -11.713 1.00 21.32 C ATOM 160 OE1 GLU A 12 -10.852 -12.629 -11.674 1.00 5.32 O ATOM 161 OE2 GLU A 12 -8.672 -12.580 -11.399 1.00 44.54 O ATOM 0 H GLU A 12 -8.890 -16.436 -14.356 1.00 23.55 H new ATOM 0 HA GLU A 12 -11.110 -14.729 -15.272 1.00 2.21 H new ATOM 0 HB2 GLU A 12 -11.573 -14.336 -13.026 1.00 64.23 H new ATOM 0 HB3 GLU A 12 -11.034 -16.004 -12.994 1.00 64.23 H new ATOM 0 HG2 GLU A 12 -9.729 -15.267 -11.292 1.00 20.42 H new ATOM 0 HG3 GLU A 12 -8.653 -14.797 -12.594 1.00 20.42 H new ATOM 168 N PRO A 13 -9.935 -12.508 -15.196 1.00 1.45 N ATOM 169 CA PRO A 13 -9.205 -11.251 -15.392 1.00 62.33 C ATOM 170 C PRO A 13 -8.740 -10.639 -14.074 1.00 62.35 C ATOM 171 O PRO A 13 -9.426 -10.739 -13.057 1.00 15.42 O ATOM 172 CB PRO A 13 -10.235 -10.344 -16.069 1.00 63.24 C ATOM 173 CG PRO A 13 -11.555 -10.887 -15.642 1.00 12.14 C ATOM 174 CD PRO A 13 -11.368 -12.372 -15.503 1.00 32.44 C ATOM 0 HA PRO A 13 -8.295 -11.395 -15.975 1.00 62.33 H new ATOM 0 HB2 PRO A 13 -10.114 -9.306 -15.758 1.00 63.24 H new ATOM 0 HB3 PRO A 13 -10.130 -10.366 -17.154 1.00 63.24 H new ATOM 0 HG2 PRO A 13 -11.872 -10.444 -14.698 1.00 12.14 H new ATOM 0 HG3 PRO A 13 -12.327 -10.658 -16.377 1.00 12.14 H new ATOM 0 HD2 PRO A 13 -11.990 -12.783 -14.708 1.00 32.44 H new ATOM 0 HD3 PRO A 13 -11.634 -12.898 -16.420 1.00 32.44 H new ATOM 182 N LEU A 14 -7.572 -10.007 -14.102 1.00 31.52 N ATOM 183 CA LEU A 14 -7.016 -9.378 -12.909 1.00 12.21 C ATOM 184 C LEU A 14 -6.372 -8.038 -13.250 1.00 64.10 C ATOM 185 O LEU A 14 -5.779 -7.876 -14.317 1.00 74.40 O ATOM 186 CB LEU A 14 -5.986 -10.300 -12.255 1.00 2.42 C ATOM 187 CG LEU A 14 -5.543 -9.917 -10.842 1.00 44.25 C ATOM 188 CD1 LEU A 14 -6.650 -10.202 -9.840 1.00 74.12 C ATOM 189 CD2 LEU A 14 -4.271 -10.661 -10.462 1.00 73.33 C ATOM 0 H LEU A 14 -6.992 -9.916 -14.936 1.00 31.52 H new ATOM 0 HA LEU A 14 -7.832 -9.200 -12.208 1.00 12.21 H new ATOM 0 HB2 LEU A 14 -6.399 -11.308 -12.224 1.00 2.42 H new ATOM 0 HB3 LEU A 14 -5.103 -10.336 -12.894 1.00 2.42 H new ATOM 0 HG LEU A 14 -5.333 -8.848 -10.825 1.00 44.25 H new ATOM 0 HD11 LEU A 14 -6.317 -9.923 -8.840 1.00 74.12 H new ATOM 0 HD12 LEU A 14 -7.536 -9.623 -10.102 1.00 74.12 H new ATOM 0 HD13 LEU A 14 -6.893 -11.264 -9.858 1.00 74.12 H new ATOM 0 HD21 LEU A 14 -3.970 -10.376 -9.454 1.00 73.33 H new ATOM 0 HD22 LEU A 14 -4.454 -11.735 -10.497 1.00 73.33 H new ATOM 0 HD23 LEU A 14 -3.477 -10.405 -11.163 1.00 73.33 H new ATOM 201 N VAL A 15 -6.489 -7.080 -12.337 1.00 35.44 N ATOM 202 CA VAL A 15 -5.917 -5.755 -12.539 1.00 25.23 C ATOM 203 C VAL A 15 -4.906 -5.421 -11.447 1.00 23.13 C ATOM 204 O VAL A 15 -5.072 -5.812 -10.291 1.00 22.14 O ATOM 205 CB VAL A 15 -7.008 -4.669 -12.562 1.00 1.04 C ATOM 206 CG1 VAL A 15 -6.481 -3.395 -13.207 1.00 63.44 C ATOM 207 CG2 VAL A 15 -8.245 -5.173 -13.290 1.00 41.31 C ATOM 0 H VAL A 15 -6.976 -7.197 -11.448 1.00 35.44 H new ATOM 0 HA VAL A 15 -5.413 -5.772 -13.505 1.00 25.23 H new ATOM 0 HB VAL A 15 -7.288 -4.438 -11.534 1.00 1.04 H new ATOM 0 HG11 VAL A 15 -7.266 -2.639 -13.214 1.00 63.44 H new ATOM 0 HG12 VAL A 15 -5.627 -3.026 -12.639 1.00 63.44 H new ATOM 0 HG13 VAL A 15 -6.172 -3.606 -14.231 1.00 63.44 H new ATOM 0 HG21 VAL A 15 -9.006 -4.393 -13.297 1.00 41.31 H new ATOM 0 HG22 VAL A 15 -7.983 -5.433 -14.315 1.00 41.31 H new ATOM 0 HG23 VAL A 15 -8.634 -6.054 -12.780 1.00 41.31 H new ATOM 217 N LEU A 16 -3.857 -4.696 -11.821 1.00 42.21 N ATOM 218 CA LEU A 16 -2.818 -4.308 -10.874 1.00 54.30 C ATOM 219 C LEU A 16 -2.511 -2.817 -10.983 1.00 70.42 C ATOM 220 O LEU A 16 -2.600 -2.230 -12.062 1.00 73.41 O ATOM 221 CB LEU A 16 -1.547 -5.121 -11.120 1.00 22.21 C ATOM 222 CG LEU A 16 -1.614 -6.602 -10.744 1.00 52.31 C ATOM 223 CD1 LEU A 16 -0.562 -7.394 -11.506 1.00 15.15 C ATOM 224 CD2 LEU A 16 -1.435 -6.779 -9.243 1.00 72.55 C ATOM 0 H LEU A 16 -3.704 -4.365 -12.774 1.00 42.21 H new ATOM 0 HA LEU A 16 -3.183 -4.512 -9.868 1.00 54.30 H new ATOM 0 HB2 LEU A 16 -1.291 -5.046 -12.177 1.00 22.21 H new ATOM 0 HB3 LEU A 16 -0.732 -4.661 -10.561 1.00 22.21 H new ATOM 0 HG LEU A 16 -2.597 -6.984 -11.020 1.00 52.31 H new ATOM 0 HD11 LEU A 16 -0.624 -8.446 -11.226 1.00 15.15 H new ATOM 0 HD12 LEU A 16 -0.736 -7.293 -12.577 1.00 15.15 H new ATOM 0 HD13 LEU A 16 0.429 -7.012 -11.262 1.00 15.15 H new ATOM 0 HD21 LEU A 16 -1.485 -7.839 -8.993 1.00 72.55 H new ATOM 0 HD22 LEU A 16 -0.466 -6.381 -8.943 1.00 72.55 H new ATOM 0 HD23 LEU A 16 -2.226 -6.244 -8.717 1.00 72.55 H new ATOM 236 N LYS A 17 -2.146 -2.210 -9.859 1.00 51.13 N ATOM 237 CA LYS A 17 -1.821 -0.789 -9.827 1.00 61.14 C ATOM 238 C LYS A 17 -0.345 -0.575 -9.510 1.00 4.31 C ATOM 239 O LYS A 17 0.277 -1.387 -8.824 1.00 3.53 O ATOM 240 CB LYS A 17 -2.685 -0.071 -8.789 1.00 55.34 C ATOM 241 CG LYS A 17 -2.752 1.434 -8.988 1.00 45.44 C ATOM 242 CD LYS A 17 -3.982 2.031 -8.326 1.00 51.15 C ATOM 243 CE LYS A 17 -5.244 1.729 -9.120 1.00 40.51 C ATOM 244 NZ LYS A 17 -6.473 2.130 -8.381 1.00 51.23 N ATOM 0 H LYS A 17 -2.068 -2.680 -8.957 1.00 51.13 H new ATOM 0 HA LYS A 17 -2.027 -0.373 -10.813 1.00 61.14 H new ATOM 0 HB2 LYS A 17 -3.695 -0.479 -8.825 1.00 55.34 H new ATOM 0 HB3 LYS A 17 -2.292 -0.280 -7.794 1.00 55.34 H new ATOM 0 HG2 LYS A 17 -1.855 1.896 -8.575 1.00 45.44 H new ATOM 0 HG3 LYS A 17 -2.766 1.660 -10.054 1.00 45.44 H new ATOM 0 HD2 LYS A 17 -4.082 1.633 -7.316 1.00 51.15 H new ATOM 0 HD3 LYS A 17 -3.859 3.110 -8.233 1.00 51.15 H new ATOM 0 HE2 LYS A 17 -5.207 2.254 -10.075 1.00 40.51 H new ATOM 0 HE3 LYS A 17 -5.286 0.663 -9.344 1.00 40.51 H new ATOM 0 HZ1 LYS A 17 -7.311 1.908 -8.955 1.00 51.23 H new ATOM 0 HZ2 LYS A 17 -6.522 1.611 -7.481 1.00 51.23 H new ATOM 0 HZ3 LYS A 17 -6.445 3.152 -8.190 1.00 51.23 H new ATOM 258 N CYS A 18 0.211 0.523 -10.013 1.00 34.55 N ATOM 259 CA CYS A 18 1.614 0.844 -9.782 1.00 72.14 C ATOM 260 C CYS A 18 1.752 2.019 -8.817 1.00 61.25 C ATOM 261 O CYS A 18 1.602 3.178 -9.207 1.00 61.40 O ATOM 262 CB CYS A 18 2.307 1.173 -11.106 1.00 2.41 C ATOM 263 SG CYS A 18 2.322 -0.202 -12.300 1.00 33.43 S ATOM 0 H CYS A 18 -0.289 1.205 -10.583 1.00 34.55 H new ATOM 0 HA CYS A 18 2.092 -0.028 -9.335 1.00 72.14 H new ATOM 0 HB2 CYS A 18 1.810 2.030 -11.561 1.00 2.41 H new ATOM 0 HB3 CYS A 18 3.335 1.473 -10.901 1.00 2.41 H new ATOM 268 N LYS A 19 2.038 1.711 -7.557 1.00 3.32 N ATOM 269 CA LYS A 19 2.198 2.739 -6.536 1.00 74.02 C ATOM 270 C LYS A 19 3.233 3.775 -6.963 1.00 61.21 C ATOM 271 O LYS A 19 4.351 3.428 -7.343 1.00 41.23 O ATOM 272 CB LYS A 19 2.613 2.105 -5.206 1.00 44.30 C ATOM 273 CG LYS A 19 1.743 0.932 -4.793 1.00 63.43 C ATOM 274 CD LYS A 19 0.272 1.312 -4.761 1.00 71.40 C ATOM 275 CE LYS A 19 -0.018 2.317 -3.658 1.00 12.54 C ATOM 276 NZ LYS A 19 -1.443 2.752 -3.664 1.00 52.50 N ATOM 0 H LYS A 19 2.164 0.757 -7.218 1.00 3.32 H new ATOM 0 HA LYS A 19 1.239 3.242 -6.409 1.00 74.02 H new ATOM 0 HB2 LYS A 19 3.648 1.770 -5.280 1.00 44.30 H new ATOM 0 HB3 LYS A 19 2.579 2.865 -4.425 1.00 44.30 H new ATOM 0 HG2 LYS A 19 1.891 0.106 -5.488 1.00 63.43 H new ATOM 0 HG3 LYS A 19 2.050 0.579 -3.808 1.00 63.43 H new ATOM 0 HD2 LYS A 19 -0.018 1.733 -5.724 1.00 71.40 H new ATOM 0 HD3 LYS A 19 -0.333 0.418 -4.609 1.00 71.40 H new ATOM 0 HE2 LYS A 19 0.223 1.875 -2.691 1.00 12.54 H new ATOM 0 HE3 LYS A 19 0.628 3.187 -3.780 1.00 12.54 H new ATOM 0 HZ1 LYS A 19 -1.600 3.437 -2.897 1.00 52.50 H new ATOM 0 HZ2 LYS A 19 -1.666 3.197 -4.577 1.00 52.50 H new ATOM 0 HZ3 LYS A 19 -2.059 1.926 -3.522 1.00 52.50 H new ATOM 290 N GLY A 20 2.854 5.047 -6.897 1.00 21.24 N ATOM 291 CA GLY A 20 3.762 6.113 -7.278 1.00 24.43 C ATOM 292 C GLY A 20 3.176 7.021 -8.341 1.00 13.23 C ATOM 293 O GLY A 20 3.318 8.242 -8.270 1.00 74.35 O ATOM 0 H GLY A 20 1.934 5.359 -6.586 1.00 21.24 H new ATOM 0 HA2 GLY A 20 4.013 6.704 -6.397 1.00 24.43 H new ATOM 0 HA3 GLY A 20 4.692 5.680 -7.647 1.00 24.43 H new ATOM 434 N LEU A 29 7.082 6.228 -18.113 1.00 52.44 N ATOM 435 CA LEU A 29 7.153 5.227 -17.055 1.00 60.52 C ATOM 436 C LEU A 29 7.294 3.825 -17.641 1.00 4.41 C ATOM 437 O LEU A 29 6.765 3.534 -18.712 1.00 40.03 O ATOM 438 CB LEU A 29 5.906 5.299 -16.172 1.00 2.43 C ATOM 439 CG LEU A 29 4.624 5.771 -16.858 1.00 13.22 C ATOM 440 CD1 LEU A 29 4.276 4.859 -18.024 1.00 54.20 C ATOM 441 CD2 LEU A 29 3.476 5.828 -15.861 1.00 34.14 C ATOM 0 HA LEU A 29 8.033 5.438 -16.448 1.00 60.52 H new ATOM 0 HB2 LEU A 29 5.726 4.310 -15.751 1.00 2.43 H new ATOM 0 HB3 LEU A 29 6.115 5.968 -15.337 1.00 2.43 H new ATOM 0 HG LEU A 29 4.791 6.775 -17.247 1.00 13.22 H new ATOM 0 HD11 LEU A 29 3.361 5.210 -18.500 1.00 54.20 H new ATOM 0 HD12 LEU A 29 5.089 4.869 -18.749 1.00 54.20 H new ATOM 0 HD13 LEU A 29 4.128 3.843 -17.659 1.00 54.20 H new ATOM 0 HD21 LEU A 29 2.571 6.166 -16.367 1.00 34.14 H new ATOM 0 HD22 LEU A 29 3.308 4.836 -15.442 1.00 34.14 H new ATOM 0 HD23 LEU A 29 3.725 6.523 -15.059 1.00 34.14 H new ATOM 453 N GLU A 30 8.011 2.962 -16.929 1.00 43.12 N ATOM 454 CA GLU A 30 8.221 1.591 -17.378 1.00 63.34 C ATOM 455 C GLU A 30 7.866 0.597 -16.276 1.00 30.44 C ATOM 456 O GLU A 30 8.022 0.887 -15.090 1.00 54.31 O ATOM 457 CB GLU A 30 9.674 1.389 -17.814 1.00 31.42 C ATOM 458 CG GLU A 30 9.864 0.236 -18.785 1.00 61.01 C ATOM 459 CD GLU A 30 9.497 0.606 -20.209 1.00 4.23 C ATOM 460 OE1 GLU A 30 10.307 1.285 -20.874 1.00 25.23 O ATOM 461 OE2 GLU A 30 8.399 0.217 -20.659 1.00 1.02 O ATOM 0 H GLU A 30 8.456 3.188 -16.039 1.00 43.12 H new ATOM 0 HA GLU A 30 7.566 1.411 -18.230 1.00 63.34 H new ATOM 0 HB2 GLU A 30 10.036 2.307 -18.278 1.00 31.42 H new ATOM 0 HB3 GLU A 30 10.288 1.214 -16.931 1.00 31.42 H new ATOM 0 HG2 GLU A 30 10.903 -0.092 -18.755 1.00 61.01 H new ATOM 0 HG3 GLU A 30 9.254 -0.608 -18.464 1.00 61.01 H new ATOM 468 N TRP A 31 7.389 -0.576 -16.677 1.00 25.30 N ATOM 469 CA TRP A 31 7.012 -1.614 -15.724 1.00 12.14 C ATOM 470 C TRP A 31 7.553 -2.972 -16.154 1.00 64.13 C ATOM 471 O TRP A 31 7.612 -3.280 -17.345 1.00 3.12 O ATOM 472 CB TRP A 31 5.489 -1.678 -15.584 1.00 64.14 C ATOM 473 CG TRP A 31 4.849 -0.332 -15.429 1.00 21.54 C ATOM 474 CD1 TRP A 31 4.940 0.498 -14.348 1.00 35.30 C ATOM 475 CD2 TRP A 31 4.021 0.338 -16.384 1.00 11.43 C ATOM 476 NE1 TRP A 31 4.216 1.644 -14.573 1.00 62.51 N ATOM 477 CE2 TRP A 31 3.644 1.571 -15.816 1.00 11.24 C ATOM 478 CE3 TRP A 31 3.562 0.020 -17.665 1.00 22.44 C ATOM 479 CZ2 TRP A 31 2.830 2.481 -16.485 1.00 14.13 C ATOM 480 CZ3 TRP A 31 2.754 0.923 -18.327 1.00 63.11 C ATOM 481 CH2 TRP A 31 2.394 2.143 -17.738 1.00 22.14 C ATOM 0 H TRP A 31 7.254 -0.832 -17.655 1.00 25.30 H new ATOM 0 HA TRP A 31 7.449 -1.361 -14.758 1.00 12.14 H new ATOM 0 HB2 TRP A 31 5.071 -2.172 -16.461 1.00 64.14 H new ATOM 0 HB3 TRP A 31 5.236 -2.294 -14.721 1.00 64.14 H new ATOM 0 HD1 TRP A 31 5.499 0.285 -13.449 1.00 35.30 H new ATOM 0 HE1 TRP A 31 4.120 2.422 -13.921 1.00 62.51 H new ATOM 0 HE3 TRP A 31 3.835 -0.916 -18.129 1.00 22.44 H new ATOM 0 HZ2 TRP A 31 2.552 3.421 -16.031 1.00 14.13 H new ATOM 0 HZ3 TRP A 31 2.393 0.685 -19.317 1.00 63.11 H new ATOM 0 HH2 TRP A 31 1.761 2.829 -18.282 1.00 22.14 H new ATOM 492 N LYS A 32 7.949 -3.783 -15.178 1.00 73.24 N ATOM 493 CA LYS A 32 8.484 -5.110 -15.456 1.00 71.52 C ATOM 494 C LYS A 32 7.902 -6.144 -14.497 1.00 30.11 C ATOM 495 O LYS A 32 7.702 -5.865 -13.314 1.00 13.31 O ATOM 496 CB LYS A 32 10.011 -5.100 -15.346 1.00 40.45 C ATOM 497 CG LYS A 32 10.716 -4.921 -16.680 1.00 14.13 C ATOM 498 CD LYS A 32 12.077 -4.269 -16.508 1.00 42.21 C ATOM 499 CE LYS A 32 11.948 -2.798 -16.145 1.00 2.04 C ATOM 500 NZ LYS A 32 13.003 -2.370 -15.183 1.00 71.03 N ATOM 0 H LYS A 32 7.909 -3.544 -14.187 1.00 73.24 H new ATOM 0 HA LYS A 32 8.200 -5.383 -16.472 1.00 71.52 H new ATOM 0 HB2 LYS A 32 10.313 -4.297 -14.674 1.00 40.45 H new ATOM 0 HB3 LYS A 32 10.340 -6.035 -14.893 1.00 40.45 H new ATOM 0 HG2 LYS A 32 10.835 -5.891 -17.163 1.00 14.13 H new ATOM 0 HG3 LYS A 32 10.100 -4.310 -17.339 1.00 14.13 H new ATOM 0 HD2 LYS A 32 12.635 -4.789 -15.730 1.00 42.21 H new ATOM 0 HD3 LYS A 32 12.649 -4.368 -17.431 1.00 42.21 H new ATOM 0 HE2 LYS A 32 12.014 -2.193 -17.050 1.00 2.04 H new ATOM 0 HE3 LYS A 32 10.965 -2.616 -15.711 1.00 2.04 H new ATOM 0 HZ1 LYS A 32 12.881 -1.361 -14.960 1.00 71.03 H new ATOM 0 HZ2 LYS A 32 12.924 -2.929 -14.310 1.00 71.03 H new ATOM 0 HZ3 LYS A 32 13.941 -2.520 -15.607 1.00 71.03 H new ATOM 514 N LEU A 33 7.634 -7.338 -15.013 1.00 51.21 N ATOM 515 CA LEU A 33 7.076 -8.414 -14.202 1.00 20.14 C ATOM 516 C LEU A 33 7.774 -9.738 -14.498 1.00 62.31 C ATOM 517 O LEU A 33 8.063 -10.054 -15.652 1.00 13.03 O ATOM 518 CB LEU A 33 5.573 -8.548 -14.459 1.00 5.32 C ATOM 519 CG LEU A 33 5.042 -7.841 -15.706 1.00 71.12 C ATOM 520 CD1 LEU A 33 3.784 -8.530 -16.213 1.00 41.34 C ATOM 521 CD2 LEU A 33 4.766 -6.374 -15.411 1.00 73.10 C ATOM 0 H LEU A 33 7.794 -7.586 -15.989 1.00 51.21 H new ATOM 0 HA LEU A 33 7.238 -8.165 -13.153 1.00 20.14 H new ATOM 0 HB2 LEU A 33 5.330 -9.608 -14.535 1.00 5.32 H new ATOM 0 HB3 LEU A 33 5.040 -8.161 -13.591 1.00 5.32 H new ATOM 0 HG LEU A 33 5.803 -7.897 -16.485 1.00 71.12 H new ATOM 0 HD11 LEU A 33 3.419 -8.014 -17.101 1.00 41.34 H new ATOM 0 HD12 LEU A 33 4.012 -9.566 -16.463 1.00 41.34 H new ATOM 0 HD13 LEU A 33 3.018 -8.504 -15.438 1.00 41.34 H new ATOM 0 HD21 LEU A 33 4.389 -5.887 -16.310 1.00 73.10 H new ATOM 0 HD22 LEU A 33 4.023 -6.296 -14.617 1.00 73.10 H new ATOM 0 HD23 LEU A 33 5.688 -5.887 -15.094 1.00 73.10 H new ATOM 533 N ASN A 34 8.040 -10.509 -13.449 1.00 72.33 N ATOM 534 CA ASN A 34 8.702 -11.799 -13.597 1.00 64.41 C ATOM 535 C ASN A 34 7.750 -12.942 -13.255 1.00 43.42 C ATOM 536 O ASN A 34 7.140 -12.958 -12.186 1.00 23.14 O ATOM 537 CB ASN A 34 9.940 -11.867 -12.700 1.00 44.15 C ATOM 538 CG ASN A 34 10.518 -13.267 -12.618 1.00 5.35 C ATOM 539 OD1 ASN A 34 10.851 -13.749 -11.535 1.00 64.43 O ATOM 540 ND2 ASN A 34 10.641 -13.925 -13.765 1.00 32.01 N ATOM 0 H ASN A 34 7.807 -10.262 -12.487 1.00 72.33 H new ATOM 0 HA ASN A 34 9.009 -11.904 -14.638 1.00 64.41 H new ATOM 0 HB2 ASN A 34 10.700 -11.185 -13.082 1.00 44.15 H new ATOM 0 HB3 ASN A 34 9.679 -11.525 -11.698 1.00 44.15 H new ATOM 0 HD21 ASN A 34 11.025 -14.870 -13.772 1.00 32.01 H new ATOM 0 HD22 ASN A 34 10.352 -13.485 -14.639 1.00 32.01 H new ATOM 547 N THR A 35 7.629 -13.899 -14.171 1.00 2.43 N ATOM 548 CA THR A 35 6.752 -15.044 -13.968 1.00 70.31 C ATOM 549 C THR A 35 7.415 -16.334 -14.436 1.00 44.14 C ATOM 550 O THR A 35 8.550 -16.323 -14.912 1.00 3.31 O ATOM 551 CB THR A 35 5.415 -14.868 -14.712 1.00 43.44 C ATOM 552 OG1 THR A 35 5.635 -14.895 -16.126 1.00 50.34 O ATOM 553 CG2 THR A 35 4.748 -13.557 -14.323 1.00 71.21 C ATOM 0 H THR A 35 8.128 -13.903 -15.061 1.00 2.43 H new ATOM 0 HA THR A 35 6.557 -15.106 -12.897 1.00 70.31 H new ATOM 0 HB THR A 35 4.757 -15.690 -14.431 1.00 43.44 H new ATOM 0 HG1 THR A 35 4.780 -14.784 -16.592 1.00 50.34 H new ATOM 0 HG21 THR A 35 3.806 -13.455 -14.861 1.00 71.21 H new ATOM 0 HG22 THR A 35 4.556 -13.551 -13.250 1.00 71.21 H new ATOM 0 HG23 THR A 35 5.404 -12.725 -14.579 1.00 71.21 H new ATOM 561 N GLY A 36 6.700 -17.446 -14.301 1.00 35.54 N ATOM 562 CA GLY A 36 7.235 -18.730 -14.716 1.00 12.45 C ATOM 563 C GLY A 36 8.368 -19.200 -13.825 1.00 54.24 C ATOM 564 O GLY A 36 8.241 -19.210 -12.600 1.00 74.33 O ATOM 0 H GLY A 36 5.758 -17.481 -13.911 1.00 35.54 H new ATOM 0 HA2 GLY A 36 6.437 -19.473 -14.707 1.00 12.45 H new ATOM 0 HA3 GLY A 36 7.591 -18.657 -15.744 1.00 12.45 H new ATOM 568 N ARG A 37 9.478 -19.592 -14.440 1.00 25.42 N ATOM 569 CA ARG A 37 10.638 -20.069 -13.695 1.00 73.42 C ATOM 570 C ARG A 37 11.807 -19.098 -13.828 1.00 33.20 C ATOM 571 O ARG A 37 12.557 -18.879 -12.877 1.00 3.52 O ATOM 572 CB ARG A 37 11.053 -21.456 -14.190 1.00 34.12 C ATOM 573 CG ARG A 37 11.585 -22.360 -13.090 1.00 64.32 C ATOM 574 CD ARG A 37 10.505 -22.700 -12.076 1.00 22.14 C ATOM 575 NE ARG A 37 10.711 -24.015 -11.476 1.00 65.55 N ATOM 576 CZ ARG A 37 11.668 -24.279 -10.593 1.00 1.31 C ATOM 577 NH1 ARG A 37 12.502 -23.322 -10.209 1.00 34.21 N ATOM 578 NH2 ARG A 37 11.791 -25.501 -10.092 1.00 64.13 N ATOM 0 H ARG A 37 9.600 -19.589 -15.453 1.00 25.42 H new ATOM 0 HA ARG A 37 10.361 -20.134 -12.643 1.00 73.42 H new ATOM 0 HB2 ARG A 37 10.195 -21.936 -14.661 1.00 34.12 H new ATOM 0 HB3 ARG A 37 11.818 -21.345 -14.959 1.00 34.12 H new ATOM 0 HG2 ARG A 37 11.975 -23.278 -13.529 1.00 64.32 H new ATOM 0 HG3 ARG A 37 12.417 -21.869 -12.586 1.00 64.32 H new ATOM 0 HD2 ARG A 37 10.492 -21.942 -11.293 1.00 22.14 H new ATOM 0 HD3 ARG A 37 9.530 -22.672 -12.562 1.00 22.14 H new ATOM 0 HE ARG A 37 10.086 -24.773 -11.750 1.00 65.55 H new ATOM 0 HH11 ARG A 37 12.409 -22.381 -10.592 1.00 34.21 H new ATOM 0 HH12 ARG A 37 13.236 -23.527 -9.531 1.00 34.21 H new ATOM 0 HH21 ARG A 37 11.151 -26.239 -10.385 1.00 64.13 H new ATOM 0 HH22 ARG A 37 12.526 -25.703 -9.414 1.00 64.13 H new ATOM 592 N THR A 38 11.957 -18.520 -15.016 1.00 54.21 N ATOM 593 CA THR A 38 13.035 -17.574 -15.275 1.00 31.13 C ATOM 594 C THR A 38 12.964 -17.035 -16.698 1.00 65.31 C ATOM 595 O THR A 38 13.376 -15.908 -16.966 1.00 3.24 O ATOM 596 CB THR A 38 14.415 -18.220 -15.051 1.00 31.53 C ATOM 597 OG1 THR A 38 15.415 -17.205 -14.908 1.00 42.14 O ATOM 598 CG2 THR A 38 14.777 -19.139 -16.208 1.00 3.10 C ATOM 0 H THR A 38 11.345 -18.691 -15.814 1.00 54.21 H new ATOM 0 HA THR A 38 12.909 -16.751 -14.571 1.00 31.13 H new ATOM 0 HB THR A 38 14.369 -18.814 -14.138 1.00 31.53 H new ATOM 0 HG1 THR A 38 16.289 -17.625 -14.764 1.00 42.14 H new ATOM 0 HG21 THR A 38 15.756 -19.584 -16.027 1.00 3.10 H new ATOM 0 HG22 THR A 38 14.030 -19.928 -16.293 1.00 3.10 H new ATOM 0 HG23 THR A 38 14.805 -18.565 -17.134 1.00 3.10 H new ATOM 606 N GLU A 39 12.438 -17.849 -17.609 1.00 21.14 N ATOM 607 CA GLU A 39 12.314 -17.452 -19.006 1.00 64.41 C ATOM 608 C GLU A 39 10.882 -17.035 -19.328 1.00 11.12 C ATOM 609 O GLU A 39 10.393 -17.258 -20.435 1.00 64.12 O ATOM 610 CB GLU A 39 12.742 -18.599 -19.925 1.00 74.50 C ATOM 611 CG GLU A 39 14.222 -18.930 -19.838 1.00 12.03 C ATOM 612 CD GLU A 39 14.527 -20.356 -20.252 1.00 11.13 C ATOM 613 OE1 GLU A 39 14.073 -20.766 -21.340 1.00 25.30 O ATOM 614 OE2 GLU A 39 15.218 -21.061 -19.487 1.00 61.32 O ATOM 0 H GLU A 39 12.092 -18.786 -17.404 1.00 21.14 H new ATOM 0 HA GLU A 39 12.969 -16.597 -19.174 1.00 64.41 H new ATOM 0 HB2 GLU A 39 12.164 -19.489 -19.675 1.00 74.50 H new ATOM 0 HB3 GLU A 39 12.497 -18.339 -20.955 1.00 74.50 H new ATOM 0 HG2 GLU A 39 14.782 -18.244 -20.474 1.00 12.03 H new ATOM 0 HG3 GLU A 39 14.566 -18.771 -18.816 1.00 12.03 H new ATOM 621 N ALA A 40 10.214 -16.429 -18.351 1.00 45.44 N ATOM 622 CA ALA A 40 8.840 -15.979 -18.530 1.00 70.23 C ATOM 623 C ALA A 40 8.710 -14.487 -18.250 1.00 14.54 C ATOM 624 O ALA A 40 7.645 -13.899 -18.444 1.00 40.40 O ATOM 625 CB ALA A 40 7.905 -16.771 -17.629 1.00 75.52 C ATOM 0 H ALA A 40 10.603 -16.239 -17.428 1.00 45.44 H new ATOM 0 HA ALA A 40 8.559 -16.152 -19.569 1.00 70.23 H new ATOM 0 HB1 ALA A 40 6.881 -16.425 -17.773 1.00 75.52 H new ATOM 0 HB2 ALA A 40 7.968 -17.830 -17.880 1.00 75.52 H new ATOM 0 HB3 ALA A 40 8.194 -16.627 -16.588 1.00 75.52 H new ATOM 631 N TRP A 41 9.798 -13.878 -17.791 1.00 63.03 N ATOM 632 CA TRP A 41 9.805 -12.453 -17.484 1.00 53.41 C ATOM 633 C TRP A 41 9.465 -11.628 -18.720 1.00 55.52 C ATOM 634 O TRP A 41 10.025 -11.841 -19.794 1.00 43.35 O ATOM 635 CB TRP A 41 11.170 -12.035 -16.935 1.00 45.42 C ATOM 636 CG TRP A 41 11.381 -10.551 -16.936 1.00 10.04 C ATOM 637 CD1 TRP A 41 10.903 -9.655 -16.021 1.00 70.01 C ATOM 638 CD2 TRP A 41 12.123 -9.791 -17.896 1.00 13.41 C ATOM 639 NE1 TRP A 41 11.303 -8.384 -16.356 1.00 21.22 N ATOM 640 CE2 TRP A 41 12.053 -8.440 -17.501 1.00 11.14 C ATOM 641 CE3 TRP A 41 12.840 -10.118 -19.049 1.00 23.44 C ATOM 642 CZ2 TRP A 41 12.673 -7.422 -18.220 1.00 52.34 C ATOM 643 CZ3 TRP A 41 13.454 -9.107 -19.762 1.00 3.43 C ATOM 644 CH2 TRP A 41 13.369 -7.772 -19.345 1.00 43.13 C ATOM 0 H TRP A 41 10.687 -14.350 -17.623 1.00 63.03 H new ATOM 0 HA TRP A 41 9.044 -12.266 -16.726 1.00 53.41 H new ATOM 0 HB2 TRP A 41 11.274 -12.409 -15.916 1.00 45.42 H new ATOM 0 HB3 TRP A 41 11.953 -12.507 -17.529 1.00 45.42 H new ATOM 0 HD1 TRP A 41 10.300 -9.909 -15.162 1.00 70.01 H new ATOM 0 HE1 TRP A 41 11.078 -7.536 -15.836 1.00 21.22 H new ATOM 0 HE3 TRP A 41 12.913 -11.144 -19.378 1.00 23.44 H new ATOM 0 HZ2 TRP A 41 12.607 -6.392 -17.901 1.00 52.34 H new ATOM 0 HZ3 TRP A 41 14.009 -9.350 -20.656 1.00 3.43 H new ATOM 0 HH2 TRP A 41 13.862 -7.004 -19.923 1.00 43.13 H new ATOM 655 N LYS A 42 8.543 -10.683 -18.561 1.00 23.54 N ATOM 656 CA LYS A 42 8.130 -9.823 -19.663 1.00 60.23 C ATOM 657 C LYS A 42 8.192 -8.353 -19.260 1.00 73.32 C ATOM 658 O LYS A 42 8.098 -8.019 -18.079 1.00 24.40 O ATOM 659 CB LYS A 42 6.711 -10.181 -20.111 1.00 33.51 C ATOM 660 CG LYS A 42 6.351 -11.640 -19.885 1.00 11.55 C ATOM 661 CD LYS A 42 5.684 -11.847 -18.536 1.00 15.44 C ATOM 662 CE LYS A 42 4.309 -11.198 -18.489 1.00 14.34 C ATOM 663 NZ LYS A 42 3.219 -12.189 -18.710 1.00 23.20 N ATOM 0 H LYS A 42 8.068 -10.494 -17.678 1.00 23.54 H new ATOM 0 HA LYS A 42 8.818 -9.982 -20.493 1.00 60.23 H new ATOM 0 HB2 LYS A 42 6.000 -9.553 -19.574 1.00 33.51 H new ATOM 0 HB3 LYS A 42 6.604 -9.949 -21.171 1.00 33.51 H new ATOM 0 HG2 LYS A 42 5.683 -11.978 -20.678 1.00 11.55 H new ATOM 0 HG3 LYS A 42 7.251 -12.251 -19.944 1.00 11.55 H new ATOM 0 HD2 LYS A 42 5.591 -12.914 -18.335 1.00 15.44 H new ATOM 0 HD3 LYS A 42 6.312 -11.428 -17.750 1.00 15.44 H new ATOM 0 HE2 LYS A 42 4.169 -10.714 -17.523 1.00 14.34 H new ATOM 0 HE3 LYS A 42 4.250 -10.418 -19.248 1.00 14.34 H new ATOM 0 HZ1 LYS A 42 2.298 -11.707 -18.670 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 3.337 -12.633 -19.643 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 3.259 -12.920 -17.971 1.00 23.20 H new ATOM 677 N VAL A 43 8.347 -7.480 -20.250 1.00 1.04 N ATOM 678 CA VAL A 43 8.418 -6.045 -19.998 1.00 23.30 C ATOM 679 C VAL A 43 7.116 -5.354 -20.385 1.00 52.01 C ATOM 680 O VAL A 43 6.679 -5.426 -21.534 1.00 61.30 O ATOM 681 CB VAL A 43 9.580 -5.397 -20.773 1.00 11.45 C ATOM 682 CG1 VAL A 43 9.750 -3.941 -20.362 1.00 64.15 C ATOM 683 CG2 VAL A 43 10.869 -6.175 -20.551 1.00 70.55 C ATOM 0 H VAL A 43 8.426 -7.741 -21.233 1.00 1.04 H new ATOM 0 HA VAL A 43 8.589 -5.919 -18.929 1.00 23.30 H new ATOM 0 HB VAL A 43 9.344 -5.425 -21.837 1.00 11.45 H new ATOM 0 HG11 VAL A 43 10.576 -3.499 -20.920 1.00 64.15 H new ATOM 0 HG12 VAL A 43 8.833 -3.393 -20.577 1.00 64.15 H new ATOM 0 HG13 VAL A 43 9.963 -3.887 -19.294 1.00 64.15 H new ATOM 0 HG21 VAL A 43 11.679 -5.703 -21.106 1.00 70.55 H new ATOM 0 HG22 VAL A 43 11.112 -6.181 -19.488 1.00 70.55 H new ATOM 0 HG23 VAL A 43 10.740 -7.200 -20.899 1.00 70.55 H new ATOM 693 N LEU A 44 6.498 -4.683 -19.418 1.00 42.13 N ATOM 694 CA LEU A 44 5.244 -3.977 -19.657 1.00 25.21 C ATOM 695 C LEU A 44 5.504 -2.548 -20.123 1.00 42.11 C ATOM 696 O LEU A 44 6.440 -1.895 -19.662 1.00 14.21 O ATOM 697 CB LEU A 44 4.393 -3.964 -18.386 1.00 30.24 C ATOM 698 CG LEU A 44 3.003 -4.591 -18.502 1.00 11.52 C ATOM 699 CD1 LEU A 44 3.031 -6.041 -18.048 1.00 24.25 C ATOM 700 CD2 LEU A 44 1.990 -3.794 -17.691 1.00 64.41 C ATOM 0 H LEU A 44 6.845 -4.613 -18.461 1.00 42.13 H new ATOM 0 HA LEU A 44 4.703 -4.503 -20.444 1.00 25.21 H new ATOM 0 HB2 LEU A 44 4.940 -4.486 -17.601 1.00 30.24 H new ATOM 0 HB3 LEU A 44 4.277 -2.930 -18.061 1.00 30.24 H new ATOM 0 HG LEU A 44 2.700 -4.567 -19.549 1.00 11.52 H new ATOM 0 HD11 LEU A 44 2.033 -6.470 -18.138 1.00 24.25 H new ATOM 0 HD12 LEU A 44 3.725 -6.604 -18.672 1.00 24.25 H new ATOM 0 HD13 LEU A 44 3.355 -6.091 -17.008 1.00 24.25 H new ATOM 0 HD21 LEU A 44 1.006 -4.254 -17.785 1.00 64.41 H new ATOM 0 HD22 LEU A 44 2.289 -3.786 -16.643 1.00 64.41 H new ATOM 0 HD23 LEU A 44 1.949 -2.771 -18.064 1.00 64.41 H new ATOM 712 N SER A 45 4.668 -2.069 -21.038 1.00 60.22 N ATOM 713 CA SER A 45 4.809 -0.717 -21.568 1.00 61.24 C ATOM 714 C SER A 45 3.492 0.047 -21.462 1.00 65.35 C ATOM 715 O SER A 45 2.424 -0.531 -21.260 1.00 2.44 O ATOM 716 CB SER A 45 5.268 -0.764 -23.027 1.00 50.21 C ATOM 717 OG SER A 45 4.222 -0.386 -23.904 1.00 14.50 O ATOM 0 H SER A 45 3.886 -2.596 -21.428 1.00 60.22 H new ATOM 0 HA SER A 45 5.561 -0.196 -20.975 1.00 61.24 H new ATOM 0 HB2 SER A 45 6.120 -0.099 -23.165 1.00 50.21 H new ATOM 0 HB3 SER A 45 5.606 -1.771 -23.273 1.00 50.21 H new ATOM 0 HG SER A 45 4.542 -0.423 -24.830 1.00 14.50 H new ATOM 723 N PRO A 46 3.569 1.378 -21.602 1.00 0.30 N ATOM 724 CA PRO A 46 2.394 2.252 -21.526 1.00 44.25 C ATOM 725 C PRO A 46 1.468 2.081 -22.725 1.00 51.54 C ATOM 726 O PRO A 46 0.440 2.752 -22.826 1.00 63.10 O ATOM 727 CB PRO A 46 2.998 3.659 -21.513 1.00 60.10 C ATOM 728 CG PRO A 46 4.316 3.511 -22.193 1.00 12.42 C ATOM 729 CD PRO A 46 4.809 2.134 -21.846 1.00 2.43 C ATOM 0 HA PRO A 46 1.777 2.031 -20.655 1.00 44.25 H new ATOM 0 HB2 PRO A 46 2.359 4.369 -22.038 1.00 60.10 H new ATOM 0 HB3 PRO A 46 3.117 4.030 -20.495 1.00 60.10 H new ATOM 0 HG2 PRO A 46 4.214 3.628 -23.272 1.00 12.42 H new ATOM 0 HG3 PRO A 46 5.018 4.273 -21.854 1.00 12.42 H new ATOM 0 HD2 PRO A 46 5.391 1.699 -22.658 1.00 2.43 H new ATOM 0 HD3 PRO A 46 5.451 2.147 -20.965 1.00 2.43 H new ATOM 737 N GLN A 47 1.837 1.180 -23.630 1.00 43.44 N ATOM 738 CA GLN A 47 1.037 0.923 -24.822 1.00 4.04 C ATOM 739 C GLN A 47 0.812 -0.573 -25.014 1.00 1.24 C ATOM 740 O GLN A 47 1.437 -1.200 -25.867 1.00 61.42 O ATOM 741 CB GLN A 47 1.722 1.510 -26.058 1.00 1.03 C ATOM 742 CG GLN A 47 0.798 1.652 -27.256 1.00 61.42 C ATOM 743 CD GLN A 47 -0.427 2.492 -26.953 1.00 35.35 C ATOM 744 OE1 GLN A 47 -0.316 3.653 -26.559 1.00 15.03 O ATOM 745 NE2 GLN A 47 -1.605 1.907 -27.133 1.00 74.04 N ATOM 0 H GLN A 47 2.684 0.616 -23.561 1.00 43.44 H new ATOM 0 HA GLN A 47 0.068 1.404 -24.689 1.00 4.04 H new ATOM 0 HB2 GLN A 47 2.130 2.489 -25.806 1.00 1.03 H new ATOM 0 HB3 GLN A 47 2.564 0.875 -26.333 1.00 1.03 H new ATOM 0 HG2 GLN A 47 1.348 2.103 -28.082 1.00 61.42 H new ATOM 0 HG3 GLN A 47 0.482 0.662 -27.586 1.00 61.42 H new ATOM 0 HE21 GLN A 47 -1.651 0.942 -27.461 1.00 74.04 H new ATOM 0 HE22 GLN A 47 -2.465 2.422 -26.943 1.00 74.04 H new ATOM 852 N ALA A 56 -1.356 -9.122 -21.862 1.00 65.22 N ATOM 853 CA ALA A 56 -2.274 -8.187 -21.224 1.00 61.51 C ATOM 854 C ALA A 56 -2.089 -6.776 -21.771 1.00 71.25 C ATOM 855 O ALA A 56 -1.186 -6.522 -22.569 1.00 23.33 O ATOM 856 CB ALA A 56 -2.075 -8.200 -19.715 1.00 60.32 C ATOM 0 HA ALA A 56 -3.292 -8.505 -21.449 1.00 61.51 H new ATOM 0 HB1 ALA A 56 -2.767 -7.497 -19.251 1.00 60.32 H new ATOM 0 HB2 ALA A 56 -2.264 -9.203 -19.332 1.00 60.32 H new ATOM 0 HB3 ALA A 56 -1.051 -7.909 -19.481 1.00 60.32 H new ATOM 862 N ARG A 57 -2.952 -5.862 -21.340 1.00 40.14 N ATOM 863 CA ARG A 57 -2.886 -4.477 -21.790 1.00 12.33 C ATOM 864 C ARG A 57 -2.683 -3.531 -20.609 1.00 10.02 C ATOM 865 O ARG A 57 -2.951 -3.888 -19.462 1.00 43.11 O ATOM 866 CB ARG A 57 -4.162 -4.101 -22.544 1.00 41.33 C ATOM 867 CG ARG A 57 -5.329 -5.035 -22.269 1.00 54.22 C ATOM 868 CD ARG A 57 -5.815 -4.910 -20.833 1.00 41.13 C ATOM 869 NE ARG A 57 -7.097 -4.216 -20.747 1.00 60.21 N ATOM 870 CZ ARG A 57 -8.254 -4.759 -21.112 1.00 25.42 C ATOM 871 NH1 ARG A 57 -8.288 -5.998 -21.584 1.00 64.31 N ATOM 872 NH2 ARG A 57 -9.378 -4.064 -21.004 1.00 73.52 N ATOM 0 H ARG A 57 -3.705 -6.056 -20.680 1.00 40.14 H new ATOM 0 HA ARG A 57 -2.034 -4.380 -22.462 1.00 12.33 H new ATOM 0 HB2 ARG A 57 -4.449 -3.085 -22.272 1.00 41.33 H new ATOM 0 HB3 ARG A 57 -3.954 -4.098 -23.614 1.00 41.33 H new ATOM 0 HG2 ARG A 57 -6.147 -4.808 -22.952 1.00 54.22 H new ATOM 0 HG3 ARG A 57 -5.027 -6.064 -22.464 1.00 54.22 H new ATOM 0 HD2 ARG A 57 -5.911 -5.904 -20.395 1.00 41.13 H new ATOM 0 HD3 ARG A 57 -5.072 -4.372 -20.244 1.00 41.13 H new ATOM 0 HE ARG A 57 -7.105 -3.262 -20.387 1.00 60.21 H new ATOM 0 HH11 ARG A 57 -7.425 -6.536 -21.667 1.00 64.31 H new ATOM 0 HH12 ARG A 57 -9.177 -6.413 -21.864 1.00 64.31 H new ATOM 0 HH21 ARG A 57 -9.356 -3.111 -20.640 1.00 73.52 H new ATOM 0 HH22 ARG A 57 -10.265 -4.482 -21.285 1.00 73.52 H new ATOM 886 N VAL A 58 -2.207 -2.324 -20.899 1.00 41.24 N ATOM 887 CA VAL A 58 -1.970 -1.327 -19.862 1.00 25.43 C ATOM 888 C VAL A 58 -2.941 -0.160 -19.989 1.00 50.43 C ATOM 889 O VAL A 58 -3.097 0.419 -21.066 1.00 13.14 O ATOM 890 CB VAL A 58 -0.527 -0.789 -19.921 1.00 61.02 C ATOM 891 CG1 VAL A 58 -0.301 0.254 -18.837 1.00 44.54 C ATOM 892 CG2 VAL A 58 0.472 -1.929 -19.793 1.00 51.21 C ATOM 0 H VAL A 58 -1.978 -2.013 -21.843 1.00 41.24 H new ATOM 0 HA VAL A 58 -2.127 -1.823 -18.904 1.00 25.43 H new ATOM 0 HB VAL A 58 -0.375 -0.311 -20.889 1.00 61.02 H new ATOM 0 HG11 VAL A 58 0.723 0.622 -18.894 1.00 44.54 H new ATOM 0 HG12 VAL A 58 -0.993 1.084 -18.980 1.00 44.54 H new ATOM 0 HG13 VAL A 58 -0.471 -0.195 -17.859 1.00 44.54 H new ATOM 0 HG21 VAL A 58 1.486 -1.531 -19.837 1.00 51.21 H new ATOM 0 HG22 VAL A 58 0.323 -2.438 -18.841 1.00 51.21 H new ATOM 0 HG23 VAL A 58 0.324 -2.636 -20.610 1.00 51.21 H new ATOM 902 N LEU A 59 -3.593 0.183 -18.883 1.00 52.24 N ATOM 903 CA LEU A 59 -4.551 1.283 -18.870 1.00 42.04 C ATOM 904 C LEU A 59 -3.844 2.623 -19.041 1.00 4.10 C ATOM 905 O LEU A 59 -2.653 2.765 -18.759 1.00 34.34 O ATOM 906 CB LEU A 59 -5.347 1.276 -17.564 1.00 13.30 C ATOM 907 CG LEU A 59 -6.328 0.118 -17.382 1.00 15.31 C ATOM 908 CD1 LEU A 59 -6.858 0.087 -15.956 1.00 74.02 C ATOM 909 CD2 LEU A 59 -7.474 0.230 -18.376 1.00 55.14 C ATOM 0 H LEU A 59 -3.476 -0.285 -17.984 1.00 52.24 H new ATOM 0 HA LEU A 59 -5.236 1.146 -19.707 1.00 42.04 H new ATOM 0 HB2 LEU A 59 -4.642 1.263 -16.733 1.00 13.30 H new ATOM 0 HB3 LEU A 59 -5.903 2.211 -17.496 1.00 13.30 H new ATOM 0 HG LEU A 59 -5.798 -0.816 -17.572 1.00 15.31 H new ATOM 0 HD11 LEU A 59 -7.555 -0.744 -15.845 1.00 74.02 H new ATOM 0 HD12 LEU A 59 -6.027 -0.041 -15.262 1.00 74.02 H new ATOM 0 HD13 LEU A 59 -7.372 1.023 -15.738 1.00 74.02 H new ATOM 0 HD21 LEU A 59 -8.163 -0.602 -18.232 1.00 55.14 H new ATOM 0 HD22 LEU A 59 -8.003 1.170 -18.217 1.00 55.14 H new ATOM 0 HD23 LEU A 59 -7.079 0.203 -19.391 1.00 55.14 H new ATOM 921 N PRO A 60 -4.591 3.632 -19.512 1.00 73.42 N ATOM 922 CA PRO A 60 -4.057 4.980 -19.729 1.00 22.01 C ATOM 923 C PRO A 60 -3.742 5.695 -18.419 1.00 3.42 C ATOM 924 O PRO A 60 -2.964 6.649 -18.393 1.00 62.44 O ATOM 925 CB PRO A 60 -5.189 5.695 -20.470 1.00 63.12 C ATOM 926 CG PRO A 60 -6.425 4.968 -20.067 1.00 2.42 C ATOM 927 CD PRO A 60 -6.016 3.535 -19.870 1.00 41.13 C ATOM 0 HA PRO A 60 -3.115 4.963 -20.277 1.00 22.01 H new ATOM 0 HB2 PRO A 60 -5.241 6.748 -20.192 1.00 63.12 H new ATOM 0 HB3 PRO A 60 -5.042 5.657 -21.549 1.00 63.12 H new ATOM 0 HG2 PRO A 60 -6.841 5.385 -19.150 1.00 2.42 H new ATOM 0 HG3 PRO A 60 -7.195 5.052 -20.834 1.00 2.42 H new ATOM 0 HD2 PRO A 60 -6.597 3.056 -19.081 1.00 41.13 H new ATOM 0 HD3 PRO A 60 -6.163 2.947 -20.776 1.00 41.13 H new ATOM 935 N ASN A 61 -4.351 5.230 -17.334 1.00 63.42 N ATOM 936 CA ASN A 61 -4.136 5.826 -16.020 1.00 44.14 C ATOM 937 C ASN A 61 -2.859 5.287 -15.381 1.00 43.15 C ATOM 938 O ASN A 61 -2.507 5.660 -14.264 1.00 24.23 O ATOM 939 CB ASN A 61 -5.332 5.548 -15.109 1.00 33.44 C ATOM 940 CG ASN A 61 -5.751 4.091 -15.132 1.00 23.42 C ATOM 941 OD1 ASN A 61 -4.927 3.200 -15.341 1.00 55.21 O ATOM 942 ND2 ASN A 61 -7.037 3.842 -14.917 1.00 32.35 N ATOM 0 H ASN A 61 -4.998 4.442 -17.338 1.00 63.42 H new ATOM 0 HA ASN A 61 -4.030 6.903 -16.150 1.00 44.14 H new ATOM 0 HB2 ASN A 61 -5.082 5.835 -14.088 1.00 33.44 H new ATOM 0 HB3 ASN A 61 -6.172 6.170 -15.418 1.00 33.44 H new ATOM 0 HD21 ASN A 61 -7.378 2.881 -14.921 1.00 32.35 H new ATOM 0 HD22 ASN A 61 -7.684 4.612 -14.748 1.00 32.35 H new ATOM 949 N GLY A 62 -2.170 4.406 -16.101 1.00 4.55 N ATOM 950 CA GLY A 62 -0.939 3.831 -15.589 1.00 12.33 C ATOM 951 C GLY A 62 -1.174 2.535 -14.838 1.00 54.34 C ATOM 952 O GLY A 62 -0.406 2.180 -13.945 1.00 11.24 O ATOM 0 H GLY A 62 -2.442 4.081 -17.029 1.00 4.55 H new ATOM 0 HA2 GLY A 62 -0.255 3.649 -16.417 1.00 12.33 H new ATOM 0 HA3 GLY A 62 -0.454 4.548 -14.927 1.00 12.33 H new ATOM 956 N SER A 63 -2.241 1.829 -15.199 1.00 44.32 N ATOM 957 CA SER A 63 -2.578 0.568 -14.549 1.00 41.10 C ATOM 958 C SER A 63 -2.394 -0.605 -15.508 1.00 1.51 C ATOM 959 O SER A 63 -2.082 -0.416 -16.685 1.00 15.21 O ATOM 960 CB SER A 63 -4.020 0.602 -14.039 1.00 50.44 C ATOM 961 OG SER A 63 -4.137 1.427 -12.893 1.00 1.45 O ATOM 0 H SER A 63 -2.886 2.109 -15.938 1.00 44.32 H new ATOM 0 HA SER A 63 -1.904 0.433 -13.703 1.00 41.10 H new ATOM 0 HB2 SER A 63 -4.678 0.971 -14.825 1.00 50.44 H new ATOM 0 HB3 SER A 63 -4.348 -0.409 -13.798 1.00 50.44 H new ATOM 0 HG SER A 63 -5.068 1.433 -12.588 1.00 1.45 H new ATOM 967 N LEU A 64 -2.588 -1.815 -14.997 1.00 2.54 N ATOM 968 CA LEU A 64 -2.443 -3.019 -15.807 1.00 1.02 C ATOM 969 C LEU A 64 -3.666 -3.920 -15.665 1.00 10.12 C ATOM 970 O LEU A 64 -4.101 -4.224 -14.554 1.00 74.21 O ATOM 971 CB LEU A 64 -1.182 -3.784 -15.399 1.00 34.13 C ATOM 972 CG LEU A 64 -1.059 -5.209 -15.936 1.00 63.34 C ATOM 973 CD1 LEU A 64 -1.209 -5.224 -17.450 1.00 43.21 C ATOM 974 CD2 LEU A 64 0.272 -5.821 -15.524 1.00 44.31 C ATOM 0 H LEU A 64 -2.846 -1.989 -14.026 1.00 2.54 H new ATOM 0 HA LEU A 64 -2.355 -2.717 -16.851 1.00 1.02 H new ATOM 0 HB2 LEU A 64 -0.313 -3.216 -15.731 1.00 34.13 H new ATOM 0 HB3 LEU A 64 -1.141 -3.822 -14.310 1.00 34.13 H new ATOM 0 HG LEU A 64 -1.861 -5.809 -15.506 1.00 63.34 H new ATOM 0 HD11 LEU A 64 -1.119 -6.247 -17.814 1.00 43.21 H new ATOM 0 HD12 LEU A 64 -2.187 -4.827 -17.723 1.00 43.21 H new ATOM 0 HD13 LEU A 64 -0.429 -4.609 -17.899 1.00 43.21 H new ATOM 0 HD21 LEU A 64 0.342 -6.836 -15.915 1.00 44.31 H new ATOM 0 HD22 LEU A 64 1.088 -5.220 -15.925 1.00 44.31 H new ATOM 0 HD23 LEU A 64 0.340 -5.846 -14.436 1.00 44.31 H new ATOM 986 N PHE A 65 -4.214 -4.346 -16.799 1.00 35.23 N ATOM 987 CA PHE A 65 -5.387 -5.214 -16.801 1.00 62.12 C ATOM 988 C PHE A 65 -5.116 -6.492 -17.591 1.00 12.24 C ATOM 989 O PHE A 65 -4.549 -6.451 -18.683 1.00 24.10 O ATOM 990 CB PHE A 65 -6.590 -4.479 -17.395 1.00 31.52 C ATOM 991 CG PHE A 65 -7.855 -5.289 -17.379 1.00 62.41 C ATOM 992 CD1 PHE A 65 -8.068 -6.283 -18.320 1.00 33.31 C ATOM 993 CD2 PHE A 65 -8.830 -5.056 -16.423 1.00 30.32 C ATOM 994 CE1 PHE A 65 -9.231 -7.031 -18.307 1.00 60.44 C ATOM 995 CE2 PHE A 65 -9.995 -5.801 -16.405 1.00 24.31 C ATOM 996 CZ PHE A 65 -10.196 -6.789 -17.350 1.00 11.03 C ATOM 0 H PHE A 65 -3.865 -4.105 -17.727 1.00 35.23 H new ATOM 0 HA PHE A 65 -5.609 -5.486 -15.769 1.00 62.12 H new ATOM 0 HB2 PHE A 65 -6.752 -3.556 -16.839 1.00 31.52 H new ATOM 0 HB3 PHE A 65 -6.362 -4.196 -18.423 1.00 31.52 H new ATOM 0 HD1 PHE A 65 -7.317 -6.476 -19.072 1.00 33.31 H new ATOM 0 HD2 PHE A 65 -8.679 -4.284 -15.683 1.00 30.32 H new ATOM 0 HE1 PHE A 65 -9.384 -7.804 -19.045 1.00 60.44 H new ATOM 0 HE2 PHE A 65 -10.747 -5.611 -15.653 1.00 24.31 H new ATOM 0 HZ PHE A 65 -11.106 -7.371 -17.340 1.00 11.03 H new ATOM 1006 N LEU A 66 -5.525 -7.624 -17.030 1.00 4.41 N ATOM 1007 CA LEU A 66 -5.327 -8.915 -17.681 1.00 4.34 C ATOM 1008 C LEU A 66 -6.663 -9.545 -18.058 1.00 60.23 C ATOM 1009 O LEU A 66 -7.579 -9.655 -17.242 1.00 10.43 O ATOM 1010 CB LEU A 66 -4.547 -9.857 -16.762 1.00 2.25 C ATOM 1011 CG LEU A 66 -3.067 -9.526 -16.561 1.00 11.31 C ATOM 1012 CD1 LEU A 66 -2.910 -8.270 -15.718 1.00 72.05 C ATOM 1013 CD2 LEU A 66 -2.342 -10.698 -15.915 1.00 43.21 C ATOM 0 H LEU A 66 -5.996 -7.675 -16.126 1.00 4.41 H new ATOM 0 HA LEU A 66 -4.754 -8.750 -18.593 1.00 4.34 H new ATOM 0 HB2 LEU A 66 -5.033 -9.865 -15.786 1.00 2.25 H new ATOM 0 HB3 LEU A 66 -4.621 -10.868 -17.163 1.00 2.25 H new ATOM 0 HG LEU A 66 -2.620 -9.341 -17.538 1.00 11.31 H new ATOM 0 HD11 LEU A 66 -1.851 -8.051 -15.586 1.00 72.05 H new ATOM 0 HD12 LEU A 66 -3.394 -7.432 -16.220 1.00 72.05 H new ATOM 0 HD13 LEU A 66 -3.373 -8.426 -14.743 1.00 72.05 H new ATOM 0 HD21 LEU A 66 -1.290 -10.445 -15.779 1.00 43.21 H new ATOM 0 HD22 LEU A 66 -2.791 -10.914 -14.946 1.00 43.21 H new ATOM 0 HD23 LEU A 66 -2.424 -11.575 -16.557 1.00 43.21 H new ATOM 1025 N PRO A 67 -6.780 -9.972 -19.324 1.00 62.21 N ATOM 1026 CA PRO A 67 -7.999 -10.603 -19.838 1.00 52.34 C ATOM 1027 C PRO A 67 -8.231 -11.988 -19.245 1.00 64.40 C ATOM 1028 O PRO A 67 -9.370 -12.418 -19.073 1.00 35.22 O ATOM 1029 CB PRO A 67 -7.741 -10.700 -21.343 1.00 73.23 C ATOM 1030 CG PRO A 67 -6.257 -10.727 -21.472 1.00 51.40 C ATOM 1031 CD PRO A 67 -5.729 -9.875 -20.351 1.00 1.23 C ATOM 0 HA PRO A 67 -8.892 -10.033 -19.581 1.00 52.34 H new ATOM 0 HB2 PRO A 67 -8.191 -11.599 -21.765 1.00 73.23 H new ATOM 0 HB3 PRO A 67 -8.169 -9.850 -21.874 1.00 73.23 H new ATOM 0 HG2 PRO A 67 -5.877 -11.746 -21.400 1.00 51.40 H new ATOM 0 HG3 PRO A 67 -5.942 -10.337 -22.440 1.00 51.40 H new ATOM 0 HD2 PRO A 67 -4.772 -10.244 -19.982 1.00 1.23 H new ATOM 0 HD3 PRO A 67 -5.572 -8.844 -20.669 1.00 1.23 H new ATOM 1039 N ALA A 68 -7.141 -12.683 -18.937 1.00 21.43 N ATOM 1040 CA ALA A 68 -7.225 -14.020 -18.361 1.00 5.33 C ATOM 1041 C ALA A 68 -5.891 -14.443 -17.756 1.00 5.33 C ATOM 1042 O ALA A 68 -4.954 -14.791 -18.476 1.00 30.51 O ATOM 1043 CB ALA A 68 -7.669 -15.022 -19.416 1.00 61.10 C ATOM 0 H ALA A 68 -6.190 -12.343 -19.077 1.00 21.43 H new ATOM 0 HA ALA A 68 -7.966 -13.998 -17.562 1.00 5.33 H new ATOM 0 HB1 ALA A 68 -7.727 -16.016 -18.972 1.00 61.10 H new ATOM 0 HB2 ALA A 68 -8.649 -14.737 -19.799 1.00 61.10 H new ATOM 0 HB3 ALA A 68 -6.949 -15.032 -20.234 1.00 61.10 H new ATOM 1049 N VAL A 69 -5.809 -14.409 -16.430 1.00 14.51 N ATOM 1050 CA VAL A 69 -4.589 -14.789 -15.729 1.00 13.32 C ATOM 1051 C VAL A 69 -4.364 -16.295 -15.793 1.00 14.45 C ATOM 1052 O VAL A 69 -5.185 -17.076 -15.313 1.00 1.12 O ATOM 1053 CB VAL A 69 -4.630 -14.349 -14.252 1.00 40.23 C ATOM 1054 CG1 VAL A 69 -4.694 -12.832 -14.149 1.00 14.14 C ATOM 1055 CG2 VAL A 69 -5.810 -14.990 -13.538 1.00 21.21 C ATOM 0 H VAL A 69 -6.574 -14.122 -15.819 1.00 14.51 H new ATOM 0 HA VAL A 69 -3.765 -14.280 -16.230 1.00 13.32 H new ATOM 0 HB VAL A 69 -3.714 -14.684 -13.765 1.00 40.23 H new ATOM 0 HG11 VAL A 69 -4.722 -12.539 -13.099 1.00 14.14 H new ATOM 0 HG12 VAL A 69 -3.814 -12.398 -14.623 1.00 14.14 H new ATOM 0 HG13 VAL A 69 -5.592 -12.471 -14.651 1.00 14.14 H new ATOM 0 HG21 VAL A 69 -5.823 -14.668 -12.497 1.00 21.21 H new ATOM 0 HG22 VAL A 69 -6.738 -14.687 -14.024 1.00 21.21 H new ATOM 0 HG23 VAL A 69 -5.716 -16.075 -13.581 1.00 21.21 H new ATOM 1065 N GLY A 70 -3.246 -16.697 -16.388 1.00 30.02 N ATOM 1066 CA GLY A 70 -2.933 -18.109 -16.504 1.00 31.05 C ATOM 1067 C GLY A 70 -2.017 -18.592 -15.396 1.00 21.32 C ATOM 1068 O GLY A 70 -1.248 -17.812 -14.834 1.00 23.55 O ATOM 0 H GLY A 70 -2.551 -16.070 -16.792 1.00 30.02 H new ATOM 0 HA2 GLY A 70 -3.858 -18.686 -16.484 1.00 31.05 H new ATOM 0 HA3 GLY A 70 -2.461 -18.296 -17.469 1.00 31.05 H new ATOM 1072 N ILE A 71 -2.101 -19.880 -15.080 1.00 52.13 N ATOM 1073 CA ILE A 71 -1.274 -20.466 -14.033 1.00 35.02 C ATOM 1074 C ILE A 71 0.206 -20.208 -14.292 1.00 41.15 C ATOM 1075 O ILE A 71 0.997 -20.084 -13.359 1.00 33.02 O ATOM 1076 CB ILE A 71 -1.507 -21.984 -13.913 1.00 54.45 C ATOM 1077 CG1 ILE A 71 -1.260 -22.448 -12.477 1.00 23.23 C ATOM 1078 CG2 ILE A 71 -0.606 -22.735 -14.881 1.00 44.24 C ATOM 1079 CD1 ILE A 71 -0.423 -23.704 -12.385 1.00 32.14 C ATOM 0 H ILE A 71 -2.734 -20.538 -15.535 1.00 52.13 H new ATOM 0 HA ILE A 71 -1.565 -19.988 -13.098 1.00 35.02 H new ATOM 0 HB ILE A 71 -2.544 -22.200 -14.170 1.00 54.45 H new ATOM 0 HG12 ILE A 71 -0.764 -21.649 -11.926 1.00 23.23 H new ATOM 0 HG13 ILE A 71 -2.219 -22.624 -11.990 1.00 23.23 H new ATOM 0 HG21 ILE A 71 -0.782 -23.806 -14.785 1.00 44.24 H new ATOM 0 HG22 ILE A 71 -0.826 -22.421 -15.901 1.00 44.24 H new ATOM 0 HG23 ILE A 71 0.437 -22.516 -14.652 1.00 44.24 H new ATOM 0 HD11 ILE A 71 -0.288 -23.975 -11.338 1.00 32.14 H new ATOM 0 HD12 ILE A 71 -0.927 -24.516 -12.908 1.00 32.14 H new ATOM 0 HD13 ILE A 71 0.550 -23.527 -12.843 1.00 32.14 H new ATOM 1091 N GLN A 72 0.571 -20.128 -15.567 1.00 45.24 N ATOM 1092 CA GLN A 72 1.957 -19.885 -15.950 1.00 51.22 C ATOM 1093 C GLN A 72 2.328 -18.419 -15.748 1.00 20.43 C ATOM 1094 O GLN A 72 3.504 -18.079 -15.617 1.00 3.44 O ATOM 1095 CB GLN A 72 2.183 -20.282 -17.411 1.00 32.12 C ATOM 1096 CG GLN A 72 2.373 -21.777 -17.611 1.00 61.14 C ATOM 1097 CD GLN A 72 2.338 -22.178 -19.073 1.00 53.43 C ATOM 1098 OE1 GLN A 72 1.337 -22.703 -19.561 1.00 53.20 O ATOM 1099 NE2 GLN A 72 3.434 -21.933 -19.781 1.00 41.42 N ATOM 0 H GLN A 72 -0.073 -20.228 -16.352 1.00 45.24 H new ATOM 0 HA GLN A 72 2.596 -20.495 -15.312 1.00 51.22 H new ATOM 0 HB2 GLN A 72 1.332 -19.949 -18.005 1.00 32.12 H new ATOM 0 HB3 GLN A 72 3.061 -19.758 -17.790 1.00 32.12 H new ATOM 0 HG2 GLN A 72 3.326 -22.080 -17.178 1.00 61.14 H new ATOM 0 HG3 GLN A 72 1.593 -22.314 -17.072 1.00 61.14 H new ATOM 0 HE21 GLN A 72 4.241 -21.496 -19.336 1.00 41.42 H new ATOM 0 HE22 GLN A 72 3.469 -22.182 -20.770 1.00 41.42 H new ATOM 1108 N ASP A 73 1.319 -17.557 -15.721 1.00 11.12 N ATOM 1109 CA ASP A 73 1.539 -16.127 -15.533 1.00 55.11 C ATOM 1110 C ASP A 73 1.873 -15.816 -14.077 1.00 23.50 C ATOM 1111 O ASP A 73 2.157 -14.671 -13.728 1.00 31.10 O ATOM 1112 CB ASP A 73 0.302 -15.338 -15.965 1.00 41.50 C ATOM 1113 CG ASP A 73 0.443 -14.757 -17.358 1.00 11.45 C ATOM 1114 OD1 ASP A 73 1.226 -15.313 -18.156 1.00 32.51 O ATOM 1115 OD2 ASP A 73 -0.228 -13.745 -17.650 1.00 73.11 O ATOM 0 H ASP A 73 0.340 -17.823 -15.827 1.00 11.12 H new ATOM 0 HA ASP A 73 2.385 -15.830 -16.153 1.00 55.11 H new ATOM 0 HB2 ASP A 73 -0.571 -15.990 -15.933 1.00 41.50 H new ATOM 0 HB3 ASP A 73 0.123 -14.531 -15.254 1.00 41.50 H new ATOM 1120 N GLU A 74 1.837 -16.843 -13.235 1.00 23.33 N ATOM 1121 CA GLU A 74 2.136 -16.679 -11.816 1.00 53.44 C ATOM 1122 C GLU A 74 3.538 -16.112 -11.618 1.00 12.31 C ATOM 1123 O GLU A 74 4.468 -16.460 -12.343 1.00 64.32 O ATOM 1124 CB GLU A 74 2.006 -18.016 -11.086 1.00 74.10 C ATOM 1125 CG GLU A 74 0.628 -18.254 -10.490 1.00 13.44 C ATOM 1126 CD GLU A 74 0.555 -19.533 -9.680 1.00 24.24 C ATOM 1127 OE1 GLU A 74 1.132 -20.549 -10.123 1.00 52.51 O ATOM 1128 OE2 GLU A 74 -0.077 -19.519 -8.603 1.00 11.12 O ATOM 0 H GLU A 74 1.604 -17.797 -13.510 1.00 23.33 H new ATOM 0 HA GLU A 74 1.416 -15.975 -11.398 1.00 53.44 H new ATOM 0 HB2 GLU A 74 2.236 -18.823 -11.781 1.00 74.10 H new ATOM 0 HB3 GLU A 74 2.749 -18.059 -10.290 1.00 74.10 H new ATOM 0 HG2 GLU A 74 0.361 -17.410 -9.854 1.00 13.44 H new ATOM 0 HG3 GLU A 74 -0.109 -18.294 -11.292 1.00 13.44 H new ATOM 1135 N GLY A 75 3.682 -15.235 -10.629 1.00 34.34 N ATOM 1136 CA GLY A 75 4.972 -14.633 -10.351 1.00 45.10 C ATOM 1137 C GLY A 75 4.853 -13.331 -9.585 1.00 50.42 C ATOM 1138 O GLY A 75 3.900 -13.131 -8.833 1.00 73.52 O ATOM 0 H GLY A 75 2.927 -14.931 -10.015 1.00 34.34 H new ATOM 0 HA2 GLY A 75 5.580 -15.333 -9.778 1.00 45.10 H new ATOM 0 HA3 GLY A 75 5.494 -14.452 -11.290 1.00 45.10 H new ATOM 1142 N ILE A 76 5.824 -12.443 -9.776 1.00 32.41 N ATOM 1143 CA ILE A 76 5.823 -11.154 -9.096 1.00 62.12 C ATOM 1144 C ILE A 76 5.880 -10.005 -10.097 1.00 51.31 C ATOM 1145 O ILE A 76 6.675 -10.024 -11.036 1.00 31.21 O ATOM 1146 CB ILE A 76 7.009 -11.030 -8.122 1.00 64.30 C ATOM 1147 CG1 ILE A 76 7.324 -12.389 -7.492 1.00 1.14 C ATOM 1148 CG2 ILE A 76 6.705 -9.999 -7.045 1.00 3.42 C ATOM 1149 CD1 ILE A 76 8.358 -13.184 -8.258 1.00 33.51 C ATOM 0 H ILE A 76 6.620 -12.593 -10.395 1.00 32.41 H new ATOM 0 HA ILE A 76 4.892 -11.096 -8.531 1.00 62.12 H new ATOM 0 HB ILE A 76 7.884 -10.697 -8.680 1.00 64.30 H new ATOM 0 HG12 ILE A 76 7.678 -12.235 -6.473 1.00 1.14 H new ATOM 0 HG13 ILE A 76 6.405 -12.972 -7.426 1.00 1.14 H new ATOM 0 HG21 ILE A 76 7.553 -9.923 -6.364 1.00 3.42 H new ATOM 0 HG22 ILE A 76 6.525 -9.030 -7.510 1.00 3.42 H new ATOM 0 HG23 ILE A 76 5.819 -10.305 -6.488 1.00 3.42 H new ATOM 0 HD11 ILE A 76 8.532 -14.135 -7.755 1.00 33.51 H new ATOM 0 HD12 ILE A 76 7.998 -13.369 -9.270 1.00 33.51 H new ATOM 0 HD13 ILE A 76 9.290 -12.621 -8.302 1.00 33.51 H new ATOM 1161 N PHE A 77 5.031 -9.003 -9.888 1.00 42.11 N ATOM 1162 CA PHE A 77 4.985 -7.844 -10.772 1.00 21.43 C ATOM 1163 C PHE A 77 5.681 -6.646 -10.134 1.00 30.23 C ATOM 1164 O PHE A 77 5.540 -6.398 -8.936 1.00 22.53 O ATOM 1165 CB PHE A 77 3.534 -7.488 -11.105 1.00 22.34 C ATOM 1166 CG PHE A 77 2.809 -8.568 -11.854 1.00 65.23 C ATOM 1167 CD1 PHE A 77 2.459 -9.752 -11.225 1.00 64.23 C ATOM 1168 CD2 PHE A 77 2.478 -8.401 -13.190 1.00 22.34 C ATOM 1169 CE1 PHE A 77 1.791 -10.748 -11.912 1.00 62.34 C ATOM 1170 CE2 PHE A 77 1.809 -9.393 -13.882 1.00 4.13 C ATOM 1171 CZ PHE A 77 1.467 -10.568 -13.243 1.00 74.32 C ATOM 0 H PHE A 77 4.366 -8.971 -9.115 1.00 42.11 H new ATOM 0 HA PHE A 77 5.510 -8.099 -11.693 1.00 21.43 H new ATOM 0 HB2 PHE A 77 2.999 -7.277 -10.179 1.00 22.34 H new ATOM 0 HB3 PHE A 77 3.520 -6.573 -11.698 1.00 22.34 H new ATOM 0 HD1 PHE A 77 2.711 -9.898 -10.185 1.00 64.23 H new ATOM 0 HD2 PHE A 77 2.746 -7.485 -13.696 1.00 22.34 H new ATOM 0 HE1 PHE A 77 1.523 -11.665 -11.409 1.00 62.34 H new ATOM 0 HE2 PHE A 77 1.554 -9.249 -14.922 1.00 4.13 H new ATOM 0 HZ PHE A 77 0.947 -11.345 -13.783 1.00 74.32 H new ATOM 1181 N ARG A 78 6.432 -5.906 -10.942 1.00 12.03 N ATOM 1182 CA ARG A 78 7.152 -4.734 -10.457 1.00 10.12 C ATOM 1183 C ARG A 78 6.857 -3.516 -11.327 1.00 11.41 C ATOM 1184 O ARG A 78 6.754 -3.623 -12.550 1.00 21.35 O ATOM 1185 CB ARG A 78 8.657 -5.006 -10.435 1.00 71.40 C ATOM 1186 CG ARG A 78 9.012 -6.432 -10.046 1.00 33.30 C ATOM 1187 CD ARG A 78 9.434 -7.252 -11.256 1.00 13.50 C ATOM 1188 NE ARG A 78 10.183 -8.446 -10.874 1.00 43.42 N ATOM 1189 CZ ARG A 78 11.480 -8.438 -10.591 1.00 23.13 C ATOM 1190 NH1 ARG A 78 12.168 -7.306 -10.643 1.00 42.24 N ATOM 1191 NH2 ARG A 78 12.093 -9.566 -10.251 1.00 41.04 N ATOM 0 H ARG A 78 6.558 -6.097 -11.936 1.00 12.03 H new ATOM 0 HA ARG A 78 6.813 -4.525 -9.442 1.00 10.12 H new ATOM 0 HB2 ARG A 78 9.071 -4.794 -11.421 1.00 71.40 H new ATOM 0 HB3 ARG A 78 9.132 -4.318 -9.735 1.00 71.40 H new ATOM 0 HG2 ARG A 78 9.819 -6.420 -9.314 1.00 33.30 H new ATOM 0 HG3 ARG A 78 8.154 -6.904 -9.567 1.00 33.30 H new ATOM 0 HD2 ARG A 78 8.550 -7.545 -11.822 1.00 13.50 H new ATOM 0 HD3 ARG A 78 10.045 -6.636 -11.916 1.00 13.50 H new ATOM 0 HE ARG A 78 9.683 -9.333 -10.822 1.00 43.42 H new ATOM 0 HH11 ARG A 78 11.701 -6.437 -10.901 1.00 42.24 H new ATOM 0 HH12 ARG A 78 13.164 -7.304 -10.425 1.00 42.24 H new ATOM 0 HH21 ARG A 78 11.567 -10.439 -10.207 1.00 41.04 H new ATOM 0 HH22 ARG A 78 13.090 -9.559 -10.034 1.00 41.04 H new ATOM 1205 N CYS A 79 6.721 -2.358 -10.689 1.00 42.12 N ATOM 1206 CA CYS A 79 6.438 -1.119 -11.404 1.00 73.13 C ATOM 1207 C CYS A 79 7.451 -0.038 -11.041 1.00 10.41 C ATOM 1208 O CYS A 79 7.984 -0.020 -9.932 1.00 33.12 O ATOM 1209 CB CYS A 79 5.022 -0.635 -11.084 1.00 53.22 C ATOM 1210 SG CYS A 79 3.708 -1.557 -11.946 1.00 25.54 S ATOM 0 H CYS A 79 6.802 -2.252 -9.678 1.00 42.12 H new ATOM 0 HA CYS A 79 6.515 -1.319 -12.473 1.00 73.13 H new ATOM 0 HB2 CYS A 79 4.858 -0.710 -10.009 1.00 53.22 H new ATOM 0 HB3 CYS A 79 4.942 0.420 -11.346 1.00 53.22 H new ATOM 1215 N GLN A 80 7.711 0.862 -11.984 1.00 30.51 N ATOM 1216 CA GLN A 80 8.661 1.946 -11.764 1.00 74.31 C ATOM 1217 C GLN A 80 8.164 3.241 -12.397 1.00 1.45 C ATOM 1218 O GLN A 80 7.855 3.284 -13.587 1.00 62.42 O ATOM 1219 CB GLN A 80 10.030 1.578 -12.336 1.00 65.22 C ATOM 1220 CG GLN A 80 10.660 2.683 -13.168 1.00 70.34 C ATOM 1221 CD GLN A 80 12.100 2.388 -13.537 1.00 21.13 C ATOM 1222 OE1 GLN A 80 13.015 2.609 -12.742 1.00 55.20 O ATOM 1223 NE2 GLN A 80 12.311 1.886 -14.748 1.00 65.32 N ATOM 0 H GLN A 80 7.277 0.862 -12.907 1.00 30.51 H new ATOM 0 HA GLN A 80 8.755 2.100 -10.689 1.00 74.31 H new ATOM 0 HB2 GLN A 80 10.701 1.325 -11.515 1.00 65.22 H new ATOM 0 HB3 GLN A 80 9.929 0.684 -12.952 1.00 65.22 H new ATOM 0 HG2 GLN A 80 10.077 2.824 -14.078 1.00 70.34 H new ATOM 0 HG3 GLN A 80 10.616 3.620 -12.613 1.00 70.34 H new ATOM 0 HE21 GLN A 80 11.524 1.718 -15.375 1.00 65.32 H new ATOM 0 HE22 GLN A 80 13.260 1.668 -15.051 1.00 65.32 H new ATOM 1232 N ALA A 81 8.088 4.297 -11.592 1.00 31.22 N ATOM 1233 CA ALA A 81 7.630 5.594 -12.073 1.00 64.15 C ATOM 1234 C ALA A 81 8.540 6.715 -11.580 1.00 53.23 C ATOM 1235 O ALA A 81 9.326 6.525 -10.653 1.00 13.53 O ATOM 1236 CB ALA A 81 6.196 5.844 -11.634 1.00 61.21 C ATOM 0 H ALA A 81 8.338 4.279 -10.603 1.00 31.22 H new ATOM 0 HA ALA A 81 7.668 5.583 -13.162 1.00 64.15 H new ATOM 0 HB1 ALA A 81 5.868 6.817 -12.001 1.00 61.21 H new ATOM 0 HB2 ALA A 81 5.550 5.066 -12.041 1.00 61.21 H new ATOM 0 HB3 ALA A 81 6.141 5.829 -10.545 1.00 61.21 H new ATOM 1242 N MET A 82 8.427 7.881 -12.208 1.00 5.14 N ATOM 1243 CA MET A 82 9.239 9.032 -11.832 1.00 24.41 C ATOM 1244 C MET A 82 8.366 10.259 -11.593 1.00 55.13 C ATOM 1245 O MET A 82 7.589 10.658 -12.460 1.00 61.12 O ATOM 1246 CB MET A 82 10.272 9.331 -12.920 1.00 4.23 C ATOM 1247 CG MET A 82 11.007 10.646 -12.714 1.00 25.32 C ATOM 1248 SD MET A 82 12.698 10.602 -13.342 1.00 15.11 S ATOM 1249 CE MET A 82 13.410 9.326 -12.307 1.00 22.34 C ATOM 0 H MET A 82 7.782 8.053 -12.979 1.00 5.14 H new ATOM 0 HA MET A 82 9.758 8.791 -10.904 1.00 24.41 H new ATOM 0 HB2 MET A 82 10.999 8.519 -12.953 1.00 4.23 H new ATOM 0 HB3 MET A 82 9.772 9.351 -13.889 1.00 4.23 H new ATOM 0 HG2 MET A 82 10.459 11.446 -13.212 1.00 25.32 H new ATOM 0 HG3 MET A 82 11.024 10.886 -11.651 1.00 25.32 H new ATOM 0 HE1 MET A 82 14.326 9.698 -11.849 1.00 22.34 H new ATOM 0 HE2 MET A 82 12.700 9.051 -11.527 1.00 22.34 H new ATOM 0 HE3 MET A 82 13.638 8.450 -12.914 1.00 22.34 H new ATOM 1259 N ASN A 83 8.497 10.853 -10.411 1.00 73.22 N ATOM 1260 CA ASN A 83 7.718 12.034 -10.058 1.00 42.55 C ATOM 1261 C ASN A 83 8.417 13.307 -10.528 1.00 32.51 C ATOM 1262 O ASN A 83 9.551 13.264 -11.006 1.00 32.04 O ATOM 1263 CB ASN A 83 7.494 12.090 -8.546 1.00 40.32 C ATOM 1264 CG ASN A 83 6.308 11.254 -8.106 1.00 53.31 C ATOM 1265 OD1 ASN A 83 5.214 11.776 -7.888 1.00 22.54 O ATOM 1266 ND2 ASN A 83 6.520 9.950 -7.972 1.00 65.11 N ATOM 0 H ASN A 83 9.135 10.536 -9.682 1.00 73.22 H new ATOM 0 HA ASN A 83 6.752 11.965 -10.559 1.00 42.55 H new ATOM 0 HB2 ASN A 83 8.391 11.740 -8.035 1.00 40.32 H new ATOM 0 HB3 ASN A 83 7.338 13.125 -8.243 1.00 40.32 H new ATOM 0 HD21 ASN A 83 5.760 9.337 -7.678 1.00 65.11 H new ATOM 0 HD22 ASN A 83 7.443 9.561 -8.164 1.00 65.11 H new ATOM 1273 N ARG A 84 7.733 14.438 -10.387 1.00 22.20 N ATOM 1274 CA ARG A 84 8.287 15.722 -10.797 1.00 42.13 C ATOM 1275 C ARG A 84 9.422 16.145 -9.870 1.00 22.34 C ATOM 1276 O ARG A 84 10.230 17.007 -10.214 1.00 10.43 O ATOM 1277 CB ARG A 84 7.196 16.793 -10.805 1.00 52.25 C ATOM 1278 CG ARG A 84 7.556 18.024 -11.621 1.00 44.21 C ATOM 1279 CD ARG A 84 6.725 18.116 -12.890 1.00 61.55 C ATOM 1280 NE ARG A 84 5.312 18.350 -12.604 1.00 14.22 N ATOM 1281 CZ ARG A 84 4.383 18.483 -13.544 1.00 34.32 C ATOM 1282 NH1 ARG A 84 4.716 18.404 -14.825 1.00 14.31 N ATOM 1283 NH2 ARG A 84 3.119 18.695 -13.204 1.00 75.34 N ATOM 0 H ARG A 84 6.794 14.491 -9.992 1.00 22.20 H new ATOM 0 HA ARG A 84 8.686 15.612 -11.805 1.00 42.13 H new ATOM 0 HB2 ARG A 84 6.277 16.361 -11.202 1.00 52.25 H new ATOM 0 HB3 ARG A 84 6.989 17.096 -9.779 1.00 52.25 H new ATOM 0 HG2 ARG A 84 7.401 18.919 -11.018 1.00 44.21 H new ATOM 0 HG3 ARG A 84 8.614 17.993 -11.880 1.00 44.21 H new ATOM 0 HD2 ARG A 84 7.107 18.923 -13.515 1.00 61.55 H new ATOM 0 HD3 ARG A 84 6.831 17.193 -13.460 1.00 61.55 H new ATOM 0 HE ARG A 84 5.022 18.415 -11.628 1.00 14.22 H new ATOM 0 HH11 ARG A 84 5.687 18.241 -15.090 1.00 14.31 H new ATOM 0 HH12 ARG A 84 4.001 18.506 -15.545 1.00 14.31 H new ATOM 0 HH21 ARG A 84 2.859 18.756 -12.220 1.00 75.34 H new ATOM 0 HH22 ARG A 84 2.407 18.797 -13.927 1.00 75.34 H new ATOM 1297 N ASN A 85 9.477 15.531 -8.692 1.00 1.31 N ATOM 1298 CA ASN A 85 10.513 15.845 -7.714 1.00 10.01 C ATOM 1299 C ASN A 85 11.861 15.276 -8.147 1.00 63.25 C ATOM 1300 O ASN A 85 12.911 15.714 -7.680 1.00 41.20 O ATOM 1301 CB ASN A 85 10.131 15.291 -6.340 1.00 12.21 C ATOM 1302 CG ASN A 85 9.075 16.133 -5.651 1.00 35.42 C ATOM 1303 OD1 ASN A 85 7.880 15.983 -5.909 1.00 45.43 O ATOM 1304 ND2 ASN A 85 9.511 17.023 -4.768 1.00 10.20 N ATOM 0 H ASN A 85 8.817 14.814 -8.392 1.00 1.31 H new ATOM 0 HA ASN A 85 10.600 16.930 -7.650 1.00 10.01 H new ATOM 0 HB2 ASN A 85 9.763 14.271 -6.452 1.00 12.21 H new ATOM 0 HB3 ASN A 85 11.020 15.242 -5.711 1.00 12.21 H new ATOM 0 HD21 ASN A 85 8.847 17.617 -4.272 1.00 10.20 H new ATOM 0 HD22 ASN A 85 10.511 17.113 -4.586 1.00 10.20 H new ATOM 1311 N GLY A 86 11.822 14.295 -9.046 1.00 12.41 N ATOM 1312 CA GLY A 86 13.046 13.683 -9.528 1.00 71.15 C ATOM 1313 C GLY A 86 13.236 12.275 -8.999 1.00 41.50 C ATOM 1314 O GLY A 86 14.012 11.495 -9.553 1.00 52.23 O ATOM 0 H GLY A 86 10.965 13.915 -9.448 1.00 12.41 H new ATOM 0 HA2 GLY A 86 13.033 13.660 -10.618 1.00 71.15 H new ATOM 0 HA3 GLY A 86 13.897 14.297 -9.232 1.00 71.15 H new ATOM 1318 N LYS A 87 12.529 11.948 -7.923 1.00 13.45 N ATOM 1319 CA LYS A 87 12.624 10.625 -7.318 1.00 32.02 C ATOM 1320 C LYS A 87 11.684 9.642 -8.008 1.00 10.51 C ATOM 1321 O LYS A 87 10.618 10.024 -8.489 1.00 75.31 O ATOM 1322 CB LYS A 87 12.294 10.700 -5.825 1.00 72.41 C ATOM 1323 CG LYS A 87 13.512 10.906 -4.942 1.00 52.20 C ATOM 1324 CD LYS A 87 13.195 11.800 -3.755 1.00 41.50 C ATOM 1325 CE LYS A 87 13.010 13.249 -4.181 1.00 43.02 C ATOM 1326 NZ LYS A 87 11.942 13.927 -3.396 1.00 72.15 N ATOM 0 H LYS A 87 11.883 12.582 -7.452 1.00 13.45 H new ATOM 0 HA LYS A 87 13.647 10.269 -7.441 1.00 32.02 H new ATOM 0 HB2 LYS A 87 11.592 11.517 -5.657 1.00 72.41 H new ATOM 0 HB3 LYS A 87 11.791 9.781 -5.526 1.00 72.41 H new ATOM 0 HG2 LYS A 87 13.872 9.941 -4.586 1.00 52.20 H new ATOM 0 HG3 LYS A 87 14.317 11.350 -5.528 1.00 52.20 H new ATOM 0 HD2 LYS A 87 12.289 11.446 -3.263 1.00 41.50 H new ATOM 0 HD3 LYS A 87 14.001 11.735 -3.024 1.00 41.50 H new ATOM 0 HE2 LYS A 87 13.950 13.787 -4.056 1.00 43.02 H new ATOM 0 HE3 LYS A 87 12.760 13.287 -5.241 1.00 43.02 H new ATOM 0 HZ1 LYS A 87 11.847 14.912 -3.717 1.00 72.15 H new ATOM 0 HZ2 LYS A 87 11.040 13.429 -3.535 1.00 72.15 H new ATOM 0 HZ3 LYS A 87 12.192 13.914 -2.387 1.00 72.15 H new ATOM 1340 N GLU A 88 12.087 8.377 -8.053 1.00 23.43 N ATOM 1341 CA GLU A 88 11.279 7.340 -8.685 1.00 21.41 C ATOM 1342 C GLU A 88 10.577 6.482 -7.636 1.00 25.33 C ATOM 1343 O GLU A 88 11.134 6.201 -6.574 1.00 12.34 O ATOM 1344 CB GLU A 88 12.151 6.458 -9.580 1.00 64.05 C ATOM 1345 CG GLU A 88 12.818 5.310 -8.842 1.00 34.22 C ATOM 1346 CD GLU A 88 13.682 5.781 -7.689 1.00 20.22 C ATOM 1347 OE1 GLU A 88 14.426 6.767 -7.869 1.00 44.01 O ATOM 1348 OE2 GLU A 88 13.612 5.164 -6.605 1.00 14.44 O ATOM 0 H GLU A 88 12.968 8.045 -7.660 1.00 23.43 H new ATOM 0 HA GLU A 88 10.521 7.829 -9.297 1.00 21.41 H new ATOM 0 HB2 GLU A 88 11.537 6.053 -10.385 1.00 64.05 H new ATOM 0 HB3 GLU A 88 12.920 7.075 -10.045 1.00 64.05 H new ATOM 0 HG2 GLU A 88 12.052 4.632 -8.464 1.00 34.22 H new ATOM 0 HG3 GLU A 88 13.431 4.741 -9.541 1.00 34.22 H new ATOM 1355 N THR A 89 9.352 6.067 -7.942 1.00 51.30 N ATOM 1356 CA THR A 89 8.574 5.243 -7.026 1.00 52.22 C ATOM 1357 C THR A 89 8.539 3.791 -7.488 1.00 1.13 C ATOM 1358 O THR A 89 8.269 3.505 -8.654 1.00 54.04 O ATOM 1359 CB THR A 89 7.129 5.762 -6.894 1.00 2.14 C ATOM 1360 OG1 THR A 89 6.908 6.837 -7.814 1.00 25.50 O ATOM 1361 CG2 THR A 89 6.852 6.238 -5.476 1.00 25.52 C ATOM 0 H THR A 89 8.877 6.288 -8.817 1.00 51.30 H new ATOM 0 HA THR A 89 9.064 5.301 -6.054 1.00 52.22 H new ATOM 0 HB THR A 89 6.450 4.941 -7.125 1.00 2.14 H new ATOM 0 HG1 THR A 89 6.133 7.362 -7.523 1.00 25.50 H new ATOM 0 HG21 THR A 89 5.826 6.600 -5.408 1.00 25.52 H new ATOM 0 HG22 THR A 89 6.992 5.411 -4.781 1.00 25.52 H new ATOM 0 HG23 THR A 89 7.539 7.045 -5.222 1.00 25.52 H new ATOM 1369 N LYS A 90 8.816 2.875 -6.565 1.00 54.53 N ATOM 1370 CA LYS A 90 8.814 1.451 -6.877 1.00 35.23 C ATOM 1371 C LYS A 90 7.602 0.760 -6.261 1.00 35.54 C ATOM 1372 O LYS A 90 7.155 1.123 -5.173 1.00 11.32 O ATOM 1373 CB LYS A 90 10.100 0.796 -6.368 1.00 30.44 C ATOM 1374 CG LYS A 90 10.029 0.365 -4.914 1.00 32.13 C ATOM 1375 CD LYS A 90 9.903 1.559 -3.983 1.00 40.24 C ATOM 1376 CE LYS A 90 11.012 2.573 -4.223 1.00 74.43 C ATOM 1377 NZ LYS A 90 10.991 3.667 -3.214 1.00 34.25 N ATOM 0 H LYS A 90 9.045 3.094 -5.595 1.00 54.53 H new ATOM 0 HA LYS A 90 8.760 1.342 -7.960 1.00 35.23 H new ATOM 0 HB2 LYS A 90 10.324 -0.074 -6.985 1.00 30.44 H new ATOM 0 HB3 LYS A 90 10.927 1.495 -6.491 1.00 30.44 H new ATOM 0 HG2 LYS A 90 9.177 -0.300 -4.772 1.00 32.13 H new ATOM 0 HG3 LYS A 90 10.923 -0.204 -4.658 1.00 32.13 H new ATOM 0 HD2 LYS A 90 8.934 2.036 -4.131 1.00 40.24 H new ATOM 0 HD3 LYS A 90 9.937 1.220 -2.948 1.00 40.24 H new ATOM 0 HE2 LYS A 90 11.978 2.069 -4.192 1.00 74.43 H new ATOM 0 HE3 LYS A 90 10.906 2.998 -5.221 1.00 74.43 H new ATOM 0 HZ1 LYS A 90 11.762 4.337 -3.412 1.00 34.25 H new ATOM 0 HZ2 LYS A 90 10.079 4.165 -3.261 1.00 34.25 H new ATOM 0 HZ3 LYS A 90 11.118 3.265 -2.263 1.00 34.25 H new ATOM 1391 N SER A 91 7.075 -0.238 -6.963 1.00 72.11 N ATOM 1392 CA SER A 91 5.912 -0.978 -6.486 1.00 54.30 C ATOM 1393 C SER A 91 5.986 -2.440 -6.914 1.00 53.22 C ATOM 1394 O SER A 91 6.110 -2.745 -8.099 1.00 43.23 O ATOM 1395 CB SER A 91 4.624 -0.343 -7.015 1.00 1.41 C ATOM 1396 OG SER A 91 3.485 -1.065 -6.581 1.00 50.35 O ATOM 0 H SER A 91 7.435 -0.553 -7.864 1.00 72.11 H new ATOM 0 HA SER A 91 5.907 -0.936 -5.397 1.00 54.30 H new ATOM 0 HB2 SER A 91 4.556 0.690 -6.672 1.00 1.41 H new ATOM 0 HB3 SER A 91 4.649 -0.316 -8.104 1.00 1.41 H new ATOM 0 HG SER A 91 2.833 -1.118 -7.311 1.00 50.35 H new ATOM 1402 N ASN A 92 5.907 -3.340 -5.940 1.00 31.23 N ATOM 1403 CA ASN A 92 5.965 -4.772 -6.215 1.00 52.44 C ATOM 1404 C ASN A 92 4.679 -5.463 -5.771 1.00 24.15 C ATOM 1405 O ASN A 92 4.276 -5.361 -4.612 1.00 63.03 O ATOM 1406 CB ASN A 92 7.167 -5.400 -5.507 1.00 70.10 C ATOM 1407 CG ASN A 92 7.416 -6.829 -5.949 1.00 63.13 C ATOM 1408 OD1 ASN A 92 7.224 -7.771 -5.181 1.00 35.03 O ATOM 1409 ND2 ASN A 92 7.848 -6.995 -7.194 1.00 73.52 N ATOM 0 H ASN A 92 5.803 -3.104 -4.953 1.00 31.23 H new ATOM 0 HA ASN A 92 6.076 -4.907 -7.291 1.00 52.44 H new ATOM 0 HB2 ASN A 92 8.056 -4.801 -5.705 1.00 70.10 H new ATOM 0 HB3 ASN A 92 7.002 -5.379 -4.430 1.00 70.10 H new ATOM 0 HD21 ASN A 92 8.034 -7.933 -7.548 1.00 73.52 H new ATOM 0 HD22 ASN A 92 7.993 -6.184 -7.796 1.00 73.52 H new ATOM 1416 N TYR A 93 4.042 -6.168 -6.700 1.00 11.32 N ATOM 1417 CA TYR A 93 2.802 -6.875 -6.405 1.00 13.03 C ATOM 1418 C TYR A 93 2.881 -8.328 -6.863 1.00 25.22 C ATOM 1419 O TYR A 93 3.022 -8.608 -8.054 1.00 35.42 O ATOM 1420 CB TYR A 93 1.620 -6.180 -7.082 1.00 52.33 C ATOM 1421 CG TYR A 93 1.077 -5.008 -6.296 1.00 53.31 C ATOM 1422 CD1 TYR A 93 1.872 -3.903 -6.018 1.00 20.14 C ATOM 1423 CD2 TYR A 93 -0.234 -5.003 -5.834 1.00 64.51 C ATOM 1424 CE1 TYR A 93 1.380 -2.831 -5.300 1.00 13.43 C ATOM 1425 CE2 TYR A 93 -0.736 -3.935 -5.116 1.00 5.13 C ATOM 1426 CZ TYR A 93 0.076 -2.852 -4.851 1.00 52.31 C ATOM 1427 OH TYR A 93 -0.419 -1.784 -4.136 1.00 64.11 O ATOM 0 H TYR A 93 4.364 -6.265 -7.663 1.00 11.32 H new ATOM 0 HA TYR A 93 2.654 -6.860 -5.325 1.00 13.03 H new ATOM 0 HB2 TYR A 93 1.929 -5.834 -8.068 1.00 52.33 H new ATOM 0 HB3 TYR A 93 0.821 -6.906 -7.235 1.00 52.33 H new ATOM 0 HD1 TYR A 93 2.893 -3.882 -6.370 1.00 20.14 H new ATOM 0 HD2 TYR A 93 -0.872 -5.850 -6.040 1.00 64.51 H new ATOM 0 HE1 TYR A 93 2.013 -1.981 -5.091 1.00 13.43 H new ATOM 0 HE2 TYR A 93 -1.757 -3.948 -4.765 1.00 5.13 H new ATOM 0 HH TYR A 93 -1.353 -1.956 -3.895 1.00 64.11 H new ATOM 1437 N ARG A 94 2.792 -9.249 -5.909 1.00 15.32 N ATOM 1438 CA ARG A 94 2.853 -10.673 -6.213 1.00 61.31 C ATOM 1439 C ARG A 94 1.458 -11.237 -6.463 1.00 10.13 C ATOM 1440 O ARG A 94 0.515 -10.936 -5.732 1.00 53.41 O ATOM 1441 CB ARG A 94 3.523 -11.432 -5.066 1.00 24.14 C ATOM 1442 CG ARG A 94 2.956 -11.094 -3.698 1.00 72.21 C ATOM 1443 CD ARG A 94 4.015 -10.493 -2.787 1.00 73.13 C ATOM 1444 NE ARG A 94 5.062 -11.456 -2.456 1.00 13.30 N ATOM 1445 CZ ARG A 94 4.888 -12.473 -1.620 1.00 55.44 C ATOM 1446 NH1 ARG A 94 3.713 -12.661 -1.035 1.00 2.45 N ATOM 1447 NH2 ARG A 94 5.889 -13.306 -1.370 1.00 20.43 N ATOM 0 H ARG A 94 2.677 -9.034 -4.919 1.00 15.32 H new ATOM 0 HA ARG A 94 3.445 -10.800 -7.120 1.00 61.31 H new ATOM 0 HB2 ARG A 94 3.417 -12.503 -5.239 1.00 24.14 H new ATOM 0 HB3 ARG A 94 4.591 -11.213 -5.071 1.00 24.14 H new ATOM 0 HG2 ARG A 94 2.130 -10.392 -3.809 1.00 72.21 H new ATOM 0 HG3 ARG A 94 2.549 -11.995 -3.239 1.00 72.21 H new ATOM 0 HD2 ARG A 94 4.461 -9.625 -3.273 1.00 73.13 H new ATOM 0 HD3 ARG A 94 3.545 -10.138 -1.870 1.00 73.13 H new ATOM 0 HE ARG A 94 5.977 -11.341 -2.891 1.00 13.30 H new ATOM 0 HH11 ARG A 94 2.940 -12.024 -1.227 1.00 2.45 H new ATOM 0 HH12 ARG A 94 3.582 -13.443 -0.393 1.00 2.45 H new ATOM 0 HH21 ARG A 94 6.794 -13.166 -1.820 1.00 20.43 H new ATOM 0 HH22 ARG A 94 5.754 -14.087 -0.728 1.00 20.43 H new ATOM 1461 N VAL A 95 1.333 -12.057 -7.502 1.00 25.10 N ATOM 1462 CA VAL A 95 0.054 -12.664 -7.849 1.00 14.43 C ATOM 1463 C VAL A 95 0.138 -14.185 -7.806 1.00 4.12 C ATOM 1464 O VAL A 95 1.122 -14.776 -8.252 1.00 41.53 O ATOM 1465 CB VAL A 95 -0.413 -12.225 -9.249 1.00 54.20 C ATOM 1466 CG1 VAL A 95 -1.615 -13.046 -9.692 1.00 12.30 C ATOM 1467 CG2 VAL A 95 -0.739 -10.740 -9.260 1.00 13.50 C ATOM 0 H VAL A 95 2.103 -12.316 -8.118 1.00 25.10 H new ATOM 0 HA VAL A 95 -0.670 -12.323 -7.109 1.00 14.43 H new ATOM 0 HB VAL A 95 0.398 -12.401 -9.956 1.00 54.20 H new ATOM 0 HG11 VAL A 95 -1.931 -12.722 -10.683 1.00 12.30 H new ATOM 0 HG12 VAL A 95 -1.343 -14.101 -9.725 1.00 12.30 H new ATOM 0 HG13 VAL A 95 -2.433 -12.904 -8.986 1.00 12.30 H new ATOM 0 HG21 VAL A 95 -1.067 -10.447 -10.257 1.00 13.50 H new ATOM 0 HG22 VAL A 95 -1.533 -10.537 -8.542 1.00 13.50 H new ATOM 0 HG23 VAL A 95 0.150 -10.170 -8.989 1.00 13.50 H new ATOM 1477 N ARG A 96 -0.901 -14.815 -7.267 1.00 10.53 N ATOM 1478 CA ARG A 96 -0.945 -16.269 -7.165 1.00 45.22 C ATOM 1479 C ARG A 96 -2.274 -16.810 -7.684 1.00 3.14 C ATOM 1480 O ARG A 96 -3.343 -16.362 -7.269 1.00 24.31 O ATOM 1481 CB ARG A 96 -0.735 -16.707 -5.715 1.00 22.12 C ATOM 1482 CG ARG A 96 0.685 -17.159 -5.415 1.00 63.25 C ATOM 1483 CD ARG A 96 1.023 -18.452 -6.142 1.00 70.05 C ATOM 1484 NE ARG A 96 1.918 -19.301 -5.361 1.00 2.13 N ATOM 1485 CZ ARG A 96 2.678 -20.252 -5.893 1.00 35.32 C ATOM 1486 NH1 ARG A 96 2.651 -20.474 -7.200 1.00 32.31 N ATOM 1487 NH2 ARG A 96 3.468 -20.984 -5.116 1.00 51.32 N ATOM 0 H ARG A 96 -1.724 -14.341 -6.894 1.00 10.53 H new ATOM 0 HA ARG A 96 -0.142 -16.676 -7.779 1.00 45.22 H new ATOM 0 HB2 ARG A 96 -0.991 -15.879 -5.054 1.00 22.12 H new ATOM 0 HB3 ARG A 96 -1.422 -17.522 -5.487 1.00 22.12 H new ATOM 0 HG2 ARG A 96 1.387 -16.379 -5.712 1.00 63.25 H new ATOM 0 HG3 ARG A 96 0.803 -17.302 -4.341 1.00 63.25 H new ATOM 0 HD2 ARG A 96 0.104 -18.997 -6.359 1.00 70.05 H new ATOM 0 HD3 ARG A 96 1.489 -18.218 -7.099 1.00 70.05 H new ATOM 0 HE ARG A 96 1.962 -19.156 -4.352 1.00 2.13 H new ATOM 0 HH11 ARG A 96 2.046 -19.914 -7.800 1.00 32.31 H new ATOM 0 HH12 ARG A 96 3.236 -21.205 -7.605 1.00 32.31 H new ATOM 0 HH21 ARG A 96 3.491 -20.816 -4.110 1.00 51.32 H new ATOM 0 HH22 ARG A 96 4.051 -21.714 -5.525 1.00 51.32 H new ATOM 1501 N VAL A 97 -2.199 -17.776 -8.594 1.00 11.21 N ATOM 1502 CA VAL A 97 -3.395 -18.379 -9.170 1.00 10.04 C ATOM 1503 C VAL A 97 -3.821 -19.614 -8.383 1.00 4.43 C ATOM 1504 O VAL A 97 -3.237 -19.935 -7.347 1.00 24.02 O ATOM 1505 CB VAL A 97 -3.172 -18.773 -10.641 1.00 74.24 C ATOM 1506 CG1 VAL A 97 -2.571 -17.614 -11.420 1.00 12.32 C ATOM 1507 CG2 VAL A 97 -2.286 -20.005 -10.734 1.00 61.43 C ATOM 0 H VAL A 97 -1.322 -18.158 -8.948 1.00 11.21 H new ATOM 0 HA VAL A 97 -4.184 -17.629 -9.119 1.00 10.04 H new ATOM 0 HB VAL A 97 -4.138 -19.014 -11.084 1.00 74.24 H new ATOM 0 HG11 VAL A 97 -2.421 -17.912 -12.458 1.00 12.32 H new ATOM 0 HG12 VAL A 97 -3.248 -16.760 -11.382 1.00 12.32 H new ATOM 0 HG13 VAL A 97 -1.613 -17.338 -10.980 1.00 12.32 H new ATOM 0 HG21 VAL A 97 -2.139 -20.269 -11.781 1.00 61.43 H new ATOM 0 HG22 VAL A 97 -1.321 -19.794 -10.274 1.00 61.43 H new ATOM 0 HG23 VAL A 97 -2.762 -20.836 -10.214 1.00 61.43 H new ATOM 1517 N TYR A 98 -4.841 -20.303 -8.880 1.00 71.35 N ATOM 1518 CA TYR A 98 -5.346 -21.503 -8.224 1.00 53.51 C ATOM 1519 C TYR A 98 -4.308 -22.620 -8.254 1.00 4.51 C ATOM 1520 O TYR A 98 -3.600 -22.849 -7.274 1.00 60.21 O ATOM 1521 CB TYR A 98 -6.637 -21.973 -8.897 1.00 62.10 C ATOM 1522 CG TYR A 98 -7.170 -23.274 -8.342 1.00 11.15 C ATOM 1523 CD1 TYR A 98 -7.464 -23.407 -6.991 1.00 31.44 C ATOM 1524 CD2 TYR A 98 -7.381 -24.370 -9.169 1.00 34.52 C ATOM 1525 CE1 TYR A 98 -7.951 -24.594 -6.479 1.00 23.43 C ATOM 1526 CE2 TYR A 98 -7.869 -25.561 -8.666 1.00 12.31 C ATOM 1527 CZ TYR A 98 -8.151 -25.668 -7.320 1.00 72.43 C ATOM 1528 OH TYR A 98 -8.637 -26.852 -6.815 1.00 71.32 O ATOM 0 H TYR A 98 -5.335 -20.051 -9.736 1.00 71.35 H new ATOM 0 HA TYR A 98 -5.556 -21.255 -7.183 1.00 53.51 H new ATOM 0 HB2 TYR A 98 -7.398 -21.201 -8.784 1.00 62.10 H new ATOM 0 HB3 TYR A 98 -6.458 -22.090 -9.966 1.00 62.10 H new ATOM 0 HD1 TYR A 98 -7.309 -22.568 -6.329 1.00 31.44 H new ATOM 0 HD2 TYR A 98 -7.160 -24.290 -10.223 1.00 34.52 H new ATOM 0 HE1 TYR A 98 -8.174 -24.680 -5.426 1.00 23.43 H new ATOM 0 HE2 TYR A 98 -8.029 -26.403 -9.323 1.00 12.31 H new ATOM 0 HH TYR A 98 -8.721 -27.507 -7.539 1.00 71.32 H new ATOM 1538 N GLN A 99 -4.223 -23.309 -9.387 1.00 33.21 N ATOM 1539 CA GLN A 99 -3.272 -24.403 -9.545 1.00 4.53 C ATOM 1540 C GLN A 99 -1.843 -23.916 -9.326 1.00 1.12 C ATOM 1541 O GLN A 99 -1.508 -22.776 -9.651 1.00 11.13 O ATOM 1542 CB GLN A 99 -3.403 -25.023 -10.937 1.00 15.00 C ATOM 1543 CG GLN A 99 -3.100 -26.513 -10.969 1.00 52.25 C ATOM 1544 CD GLN A 99 -4.058 -27.322 -10.118 1.00 14.55 C ATOM 1545 OE1 GLN A 99 -5.207 -27.548 -10.498 1.00 61.04 O ATOM 1546 NE2 GLN A 99 -3.589 -27.762 -8.955 1.00 40.30 N ATOM 0 H GLN A 99 -4.800 -23.129 -10.208 1.00 33.21 H new ATOM 0 HA GLN A 99 -3.499 -25.160 -8.794 1.00 4.53 H new ATOM 0 HB2 GLN A 99 -4.416 -24.858 -11.305 1.00 15.00 H new ATOM 0 HB3 GLN A 99 -2.727 -24.508 -11.620 1.00 15.00 H new ATOM 0 HG2 GLN A 99 -3.147 -26.867 -11.999 1.00 52.25 H new ATOM 0 HG3 GLN A 99 -2.081 -26.680 -10.621 1.00 52.25 H new ATOM 0 HE21 GLN A 99 -2.630 -27.551 -8.679 1.00 40.30 H new ATOM 0 HE22 GLN A 99 -4.188 -28.310 -8.338 1.00 40.30 H new ATOM 1555 N ILE A 100 -1.004 -24.786 -8.773 1.00 74.14 N ATOM 1556 CA ILE A 100 0.388 -24.446 -8.511 1.00 12.54 C ATOM 1557 C ILE A 100 1.332 -25.398 -9.236 1.00 24.34 C ATOM 1558 O ILE A 100 0.963 -26.508 -9.618 1.00 71.23 O ATOM 1559 CB ILE A 100 0.702 -24.477 -7.004 1.00 33.12 C ATOM 1560 CG1 ILE A 100 -0.368 -25.275 -6.255 1.00 43.10 C ATOM 1561 CG2 ILE A 100 0.796 -23.061 -6.452 1.00 64.41 C ATOM 1562 CD1 ILE A 100 -0.082 -25.430 -4.777 1.00 2.20 C ATOM 0 H ILE A 100 -1.265 -25.733 -8.498 1.00 74.14 H new ATOM 0 HA ILE A 100 0.541 -23.433 -8.884 1.00 12.54 H new ATOM 0 HB ILE A 100 1.665 -24.967 -6.859 1.00 33.12 H new ATOM 0 HG12 ILE A 100 -1.332 -24.782 -6.381 1.00 43.10 H new ATOM 0 HG13 ILE A 100 -0.455 -26.264 -6.706 1.00 43.10 H new ATOM 0 HG21 ILE A 100 1.018 -23.100 -5.386 1.00 64.41 H new ATOM 0 HG22 ILE A 100 1.590 -22.521 -6.969 1.00 64.41 H new ATOM 0 HG23 ILE A 100 -0.153 -22.547 -6.606 1.00 64.41 H new ATOM 0 HD11 ILE A 100 -0.881 -26.006 -4.310 1.00 2.20 H new ATOM 0 HD12 ILE A 100 0.866 -25.950 -4.643 1.00 2.20 H new ATOM 0 HD13 ILE A 100 -0.025 -24.446 -4.312 1.00 2.20 H new ATOM 1574 N PRO A 101 2.585 -24.957 -9.428 1.00 72.20 N ATOM 1575 CA PRO A 101 3.610 -25.755 -10.105 1.00 30.31 C ATOM 1576 C PRO A 101 4.056 -26.954 -9.273 1.00 51.52 C ATOM 1577 O PRO A 101 4.383 -28.010 -9.813 1.00 52.13 O ATOM 1578 CB PRO A 101 4.768 -24.770 -10.285 1.00 54.32 C ATOM 1579 CG PRO A 101 4.581 -23.766 -9.200 1.00 22.25 C ATOM 1580 CD PRO A 101 3.096 -23.644 -8.999 1.00 21.54 C ATOM 0 HA PRO A 101 3.243 -26.178 -11.040 1.00 30.31 H new ATOM 0 HB2 PRO A 101 5.732 -25.272 -10.199 1.00 54.32 H new ATOM 0 HB3 PRO A 101 4.740 -24.301 -11.268 1.00 54.32 H new ATOM 0 HG2 PRO A 101 5.074 -24.087 -8.282 1.00 22.25 H new ATOM 0 HG3 PRO A 101 5.017 -22.806 -9.477 1.00 22.25 H new ATOM 0 HD2 PRO A 101 2.847 -23.436 -7.958 1.00 21.54 H new ATOM 0 HD3 PRO A 101 2.675 -22.834 -9.595 1.00 21.54 H new