USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 719 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 26 THR OG1 : rot 117:sc= 1.15 USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0.402 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.6 K(o=0.6,f=-0.19) USER MOD Single : A 5 ASN : amide:sc= -0.586 K(o=-0.59,f=-2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 82:sc= 0.814 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.18) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.173 K(o=-0.17,f=-9.3!) USER MOD Single : A 24 TYR OH : rot 48:sc= 0.797 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 0.887 (180deg=0.608) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 38 SER OG : rot -39:sc= 0.567 USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0243) USER MOD Single : A 41 ASN : amide:sc= 0.797 K(o=0.8,f=-10!) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0515) USER MOD Single : A 50 SER OG : rot -80:sc= 1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.106 K(o=-0.11,f=-3!) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= 0.935 (180deg=0.897) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -2.65! C(o=-2.6!,f=-4.7!) USER MOD Single : A 78 TYR OH : rot 162:sc= 0.725 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.467 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.133 K(o=-0.13,f=-8.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 137:sc= 1.6 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0396 USER MOD Single : A 97 TYR OH : rot 180:sc=-0.00116 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 88:sc= 0.208 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 102 HIS : no HE2:sc= -0.0465 K(o=-0.046,f=-0.89) USER MOD Single : A 103 TYR OH : rot -87:sc= -0.264 USER MOD Single : A 104 GLN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.458 USER MOD Single : A 107 THR OG1 : rot 180:sc=-0.00849 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.047 11.161 9.853 1.00 0.00 N ATOM 2 CA ALA A 1 -16.456 10.085 8.965 1.00 0.00 C ATOM 3 C ALA A 1 -16.038 10.424 7.533 1.00 0.00 C ATOM 4 O ALA A 1 -16.835 10.956 6.760 1.00 0.00 O ATOM 5 CB ALA A 1 -17.963 9.861 9.095 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.330 10.933 10.828 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.014 11.273 9.810 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.504 12.047 9.558 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.963 9.153 9.240 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.270 9.054 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.204 9.594 10.124 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.491 10.775 8.825 1.00 0.00 H new ATOM 11 N GLN A 2 -14.790 10.104 7.223 1.00 0.00 N ATOM 12 CA GLN A 2 -14.259 10.366 5.896 1.00 0.00 C ATOM 13 C GLN A 2 -13.089 9.428 5.599 1.00 0.00 C ATOM 14 O GLN A 2 -12.034 9.527 6.224 1.00 0.00 O ATOM 15 CB GLN A 2 -13.838 11.830 5.753 1.00 0.00 C ATOM 16 CG GLN A 2 -13.296 12.110 4.350 1.00 0.00 C ATOM 17 CD GLN A 2 -14.347 11.795 3.283 1.00 0.00 C ATOM 18 OE1 GLN A 2 -15.353 12.473 3.146 1.00 0.00 O ATOM 19 NE2 GLN A 2 -14.060 10.732 2.538 1.00 0.00 N ATOM 0 H GLN A 2 -14.132 9.666 7.867 1.00 0.00 H new ATOM 0 HA GLN A 2 -15.046 10.176 5.167 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.691 12.479 5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.076 12.067 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.997 13.155 4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.403 11.510 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.201 10.209 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -14.699 10.440 1.799 1.00 0.00 H new ATOM 26 N VAL A 3 -13.312 8.537 4.643 1.00 0.00 N ATOM 27 CA VAL A 3 -12.274 7.611 4.224 1.00 0.00 C ATOM 28 C VAL A 3 -11.193 8.376 3.459 1.00 0.00 C ATOM 29 O VAL A 3 -11.474 9.397 2.832 1.00 0.00 O ATOM 30 CB VAL A 3 -12.888 6.471 3.410 1.00 0.00 C ATOM 31 CG1 VAL A 3 -11.903 5.955 2.359 1.00 0.00 C ATOM 32 CG2 VAL A 3 -13.357 5.336 4.324 1.00 0.00 C ATOM 0 H VAL A 3 -14.197 8.437 4.147 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.797 7.154 5.091 1.00 0.00 H new ATOM 0 HB VAL A 3 -13.760 6.864 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.365 5.145 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.638 6.765 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.004 5.587 2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.790 4.538 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.508 4.947 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.108 5.714 5.018 1.00 0.00 H new ATOM 42 N ILE A 4 -9.977 7.855 3.536 1.00 0.00 N ATOM 43 CA ILE A 4 -8.839 8.514 2.918 1.00 0.00 C ATOM 44 C ILE A 4 -8.087 7.509 2.043 1.00 0.00 C ATOM 45 O ILE A 4 -7.528 6.537 2.548 1.00 0.00 O ATOM 46 CB ILE A 4 -7.963 9.180 3.982 1.00 0.00 C ATOM 47 CG1 ILE A 4 -8.821 9.883 5.036 1.00 0.00 C ATOM 48 CG2 ILE A 4 -6.951 10.130 3.340 1.00 0.00 C ATOM 49 CD1 ILE A 4 -7.945 10.594 6.070 1.00 0.00 C ATOM 0 H ILE A 4 -9.755 6.984 4.017 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.174 9.319 2.264 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.396 8.403 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.478 10.606 4.552 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.460 9.155 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.341 10.591 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.310 9.572 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.480 10.906 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.579 11.086 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.306 9.865 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.325 11.339 5.571 1.00 0.00 H new ATOM 60 N ASN A 5 -8.096 7.779 0.746 1.00 0.00 N ATOM 61 CA ASN A 5 -7.343 6.966 -0.193 1.00 0.00 C ATOM 62 C ASN A 5 -7.124 7.757 -1.485 1.00 0.00 C ATOM 63 O ASN A 5 -7.365 7.246 -2.578 1.00 0.00 O ATOM 64 CB ASN A 5 -8.102 5.686 -0.545 1.00 0.00 C ATOM 65 CG ASN A 5 -9.473 6.008 -1.144 1.00 0.00 C ATOM 66 OD1 ASN A 5 -10.304 6.666 -0.539 1.00 0.00 O ATOM 67 ND2 ASN A 5 -9.663 5.509 -2.362 1.00 0.00 N ATOM 0 H ASN A 5 -8.613 8.550 0.323 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.393 6.705 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.520 5.098 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.226 5.075 0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.546 5.669 -2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.925 4.967 -2.812 1.00 0.00 H new ATOM 73 N THR A 6 -6.671 8.990 -1.315 1.00 0.00 N ATOM 74 CA THR A 6 -5.974 9.684 -2.386 1.00 0.00 C ATOM 75 C THR A 6 -4.490 9.833 -2.048 1.00 0.00 C ATOM 76 O THR A 6 -4.068 9.519 -0.936 1.00 0.00 O ATOM 77 CB THR A 6 -6.681 11.021 -2.620 1.00 0.00 C ATOM 78 OG1 THR A 6 -6.852 11.557 -1.310 1.00 0.00 O ATOM 79 CG2 THR A 6 -8.109 10.845 -3.140 1.00 0.00 C ATOM 0 H THR A 6 -6.772 9.526 -0.453 1.00 0.00 H new ATOM 0 HA THR A 6 -6.008 9.114 -3.315 1.00 0.00 H new ATOM 0 HB THR A 6 -6.107 11.616 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.302 12.426 -1.368 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.565 11.824 -3.289 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.087 10.307 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.693 10.279 -2.414 1.00 0.00 H new ATOM 87 N PHE A 7 -3.738 10.312 -3.029 1.00 0.00 N ATOM 88 CA PHE A 7 -2.303 10.466 -2.864 1.00 0.00 C ATOM 89 C PHE A 7 -1.982 11.572 -1.857 1.00 0.00 C ATOM 90 O PHE A 7 -1.228 11.356 -0.910 1.00 0.00 O ATOM 91 CB PHE A 7 -1.735 10.856 -4.230 1.00 0.00 C ATOM 92 CG PHE A 7 -1.491 9.669 -5.164 1.00 0.00 C ATOM 93 CD1 PHE A 7 -0.533 8.751 -4.862 1.00 0.00 C ATOM 94 CD2 PHE A 7 -2.231 9.531 -6.296 1.00 0.00 C ATOM 95 CE1 PHE A 7 -0.307 7.650 -5.729 1.00 0.00 C ATOM 96 CE2 PHE A 7 -2.005 8.429 -7.163 1.00 0.00 C ATOM 97 CZ PHE A 7 -1.047 7.512 -6.861 1.00 0.00 C ATOM 0 H PHE A 7 -4.096 10.598 -3.940 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.870 9.537 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.423 11.550 -4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.795 11.389 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.055 8.860 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.991 10.260 -6.536 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.453 6.921 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.594 8.319 -8.062 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.874 6.674 -7.520 1.00 0.00 H new ATOM 106 N ASP A 8 -2.571 12.735 -2.097 1.00 0.00 N ATOM 107 CA ASP A 8 -2.293 13.899 -1.272 1.00 0.00 C ATOM 108 C ASP A 8 -2.895 13.688 0.119 1.00 0.00 C ATOM 109 O ASP A 8 -2.309 14.095 1.120 1.00 0.00 O ATOM 110 CB ASP A 8 -2.916 15.161 -1.871 1.00 0.00 C ATOM 111 CG ASP A 8 -2.464 15.492 -3.295 1.00 0.00 C ATOM 112 OD1 ASP A 8 -2.832 14.716 -4.203 1.00 0.00 O ATOM 113 OD2 ASP A 8 -1.758 16.514 -3.443 1.00 0.00 O ATOM 0 H ASP A 8 -3.239 12.896 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.211 14.023 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.000 15.050 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.680 16.007 -1.225 1.00 0.00 H new ATOM 117 N GLY A 9 -4.058 13.054 0.135 1.00 0.00 N ATOM 118 CA GLY A 9 -4.802 12.887 1.372 1.00 0.00 C ATOM 119 C GLY A 9 -4.053 11.973 2.343 1.00 0.00 C ATOM 120 O GLY A 9 -3.977 12.259 3.537 1.00 0.00 O ATOM 0 H GLY A 9 -4.504 12.650 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.966 13.860 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.784 12.467 1.156 1.00 0.00 H new ATOM 124 N VAL A 10 -3.517 10.892 1.796 1.00 0.00 N ATOM 125 CA VAL A 10 -2.837 9.899 2.610 1.00 0.00 C ATOM 126 C VAL A 10 -1.467 10.438 3.024 1.00 0.00 C ATOM 127 O VAL A 10 -1.031 10.231 4.156 1.00 0.00 O ATOM 128 CB VAL A 10 -2.753 8.571 1.854 1.00 0.00 C ATOM 129 CG1 VAL A 10 -1.811 7.596 2.563 1.00 0.00 C ATOM 130 CG2 VAL A 10 -4.142 7.956 1.669 1.00 0.00 C ATOM 0 H VAL A 10 -3.540 10.682 0.798 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.399 9.703 3.523 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.343 8.774 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.769 6.660 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.813 8.030 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.179 7.402 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.054 7.013 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.592 7.774 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.771 8.642 1.101 1.00 0.00 H new ATOM 140 N ALA A 11 -0.826 11.121 2.087 1.00 0.00 N ATOM 141 CA ALA A 11 0.497 11.669 2.332 1.00 0.00 C ATOM 142 C ALA A 11 0.437 12.617 3.532 1.00 0.00 C ATOM 143 O ALA A 11 1.287 12.558 4.418 1.00 0.00 O ATOM 144 CB ALA A 11 1.006 12.361 1.067 1.00 0.00 C ATOM 0 H ALA A 11 -1.199 11.307 1.156 1.00 0.00 H new ATOM 0 HA ALA A 11 1.203 10.874 2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.999 12.772 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.058 11.638 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.325 13.167 0.794 1.00 0.00 H new ATOM 150 N ASP A 12 -0.578 13.470 3.520 1.00 0.00 N ATOM 151 CA ASP A 12 -0.696 14.505 4.533 1.00 0.00 C ATOM 152 C ASP A 12 -0.974 13.856 5.891 1.00 0.00 C ATOM 153 O ASP A 12 -0.430 14.281 6.908 1.00 0.00 O ATOM 154 CB ASP A 12 -1.853 15.455 4.217 1.00 0.00 C ATOM 155 CG ASP A 12 -2.068 16.574 5.238 1.00 0.00 C ATOM 156 OD1 ASP A 12 -1.385 17.611 5.098 1.00 0.00 O ATOM 157 OD2 ASP A 12 -2.912 16.366 6.137 1.00 0.00 O ATOM 0 H ASP A 12 -1.325 13.465 2.825 1.00 0.00 H new ATOM 0 HA ASP A 12 0.238 15.067 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.678 15.904 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.771 14.872 4.140 1.00 0.00 H new ATOM 161 N TYR A 13 -1.820 12.837 5.860 1.00 0.00 N ATOM 162 CA TYR A 13 -2.238 12.176 7.086 1.00 0.00 C ATOM 163 C TYR A 13 -1.068 11.432 7.733 1.00 0.00 C ATOM 164 O TYR A 13 -1.008 11.306 8.955 1.00 0.00 O ATOM 165 CB TYR A 13 -3.306 11.161 6.673 1.00 0.00 C ATOM 166 CG TYR A 13 -4.066 10.545 7.849 1.00 0.00 C ATOM 167 CD1 TYR A 13 -3.555 9.438 8.496 1.00 0.00 C ATOM 168 CD2 TYR A 13 -5.261 11.095 8.263 1.00 0.00 C ATOM 169 CE1 TYR A 13 -4.269 8.857 9.603 1.00 0.00 C ATOM 170 CE2 TYR A 13 -5.976 10.515 9.370 1.00 0.00 C ATOM 171 CZ TYR A 13 -5.445 9.425 9.986 1.00 0.00 C ATOM 172 OH TYR A 13 -6.119 8.876 11.031 1.00 0.00 O ATOM 0 H TYR A 13 -2.227 12.453 5.007 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.609 12.903 7.808 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.019 11.649 6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.832 10.363 6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.619 9.007 8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.661 11.961 7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.880 7.991 10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.913 10.936 9.704 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.940 9.385 11.194 1.00 0.00 H new ATOM 181 N LEU A 14 -0.167 10.959 6.884 1.00 0.00 N ATOM 182 CA LEU A 14 1.047 10.320 7.362 1.00 0.00 C ATOM 183 C LEU A 14 1.939 11.366 8.033 1.00 0.00 C ATOM 184 O LEU A 14 2.381 11.176 9.165 1.00 0.00 O ATOM 185 CB LEU A 14 1.736 9.562 6.225 1.00 0.00 C ATOM 186 CG LEU A 14 1.046 8.280 5.758 1.00 0.00 C ATOM 187 CD1 LEU A 14 1.557 7.851 4.381 1.00 0.00 C ATOM 188 CD2 LEU A 14 1.197 7.167 6.797 1.00 0.00 C ATOM 0 H LEU A 14 -0.254 11.006 5.869 1.00 0.00 H new ATOM 0 HA LEU A 14 0.811 9.570 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.828 10.233 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.748 9.311 6.543 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.020 8.484 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.050 6.937 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.355 8.640 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.631 7.671 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.697 6.266 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.255 6.957 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.746 7.484 7.738 1.00 0.00 H new ATOM 199 N GLN A 15 2.177 12.448 7.306 1.00 0.00 N ATOM 200 CA GLN A 15 3.019 13.520 7.812 1.00 0.00 C ATOM 201 C GLN A 15 2.523 13.979 9.185 1.00 0.00 C ATOM 202 O GLN A 15 3.320 14.373 10.035 1.00 0.00 O ATOM 203 CB GLN A 15 3.069 14.689 6.826 1.00 0.00 C ATOM 204 CG GLN A 15 3.767 14.281 5.528 1.00 0.00 C ATOM 205 CD GLN A 15 5.286 14.416 5.656 1.00 0.00 C ATOM 206 OE1 GLN A 15 6.006 13.452 5.859 1.00 0.00 O ATOM 207 NE2 GLN A 15 5.731 15.663 5.525 1.00 0.00 N ATOM 0 H GLN A 15 1.802 12.606 6.371 1.00 0.00 H new ATOM 0 HA GLN A 15 4.034 13.139 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.057 15.029 6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.596 15.529 7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.509 13.251 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.411 14.904 4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.073 16.424 5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.730 15.858 5.593 1.00 0.00 H new ATOM 214 N THR A 16 1.211 13.915 9.358 1.00 0.00 N ATOM 215 CA THR A 16 0.599 14.334 10.606 1.00 0.00 C ATOM 216 C THR A 16 0.843 13.289 11.696 1.00 0.00 C ATOM 217 O THR A 16 1.674 13.489 12.580 1.00 0.00 O ATOM 218 CB THR A 16 -0.883 14.602 10.341 1.00 0.00 C ATOM 219 OG1 THR A 16 -0.879 15.659 9.385 1.00 0.00 O ATOM 220 CG2 THR A 16 -1.598 15.200 11.554 1.00 0.00 C ATOM 0 H THR A 16 0.555 13.579 8.653 1.00 0.00 H new ATOM 0 HA THR A 16 1.048 15.256 10.977 1.00 0.00 H new ATOM 0 HB THR A 16 -1.373 13.672 10.054 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.745 15.288 8.488 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.647 15.370 11.311 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.528 14.510 12.395 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.129 16.147 11.822 1.00 0.00 H new ATOM 228 N TYR A 17 0.101 12.195 11.598 1.00 0.00 N ATOM 229 CA TYR A 17 -0.031 11.277 12.717 1.00 0.00 C ATOM 230 C TYR A 17 1.044 10.189 12.662 1.00 0.00 C ATOM 231 O TYR A 17 1.257 9.474 13.640 1.00 0.00 O ATOM 232 CB TYR A 17 -1.408 10.625 12.567 1.00 0.00 C ATOM 233 CG TYR A 17 -2.572 11.617 12.604 1.00 0.00 C ATOM 234 CD1 TYR A 17 -2.915 12.235 13.789 1.00 0.00 C ATOM 235 CD2 TYR A 17 -3.280 11.893 11.451 1.00 0.00 C ATOM 236 CE1 TYR A 17 -4.012 13.168 13.824 1.00 0.00 C ATOM 237 CE2 TYR A 17 -4.376 12.826 11.486 1.00 0.00 C ATOM 238 CZ TYR A 17 -4.687 13.417 12.670 1.00 0.00 C ATOM 239 OH TYR A 17 -5.723 14.299 12.703 1.00 0.00 O ATOM 0 H TYR A 17 -0.415 11.924 10.761 1.00 0.00 H new ATOM 0 HA TYR A 17 0.080 11.806 13.664 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.439 10.078 11.624 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.541 9.894 13.364 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.361 12.019 14.691 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.012 11.409 10.523 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.292 13.658 14.745 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.938 13.051 10.592 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.112 14.380 11.807 1.00 0.00 H new ATOM 248 N HIS A 18 1.690 10.098 11.509 1.00 0.00 N ATOM 249 CA HIS A 18 2.775 9.147 11.333 1.00 0.00 C ATOM 250 C HIS A 18 2.222 7.721 11.395 1.00 0.00 C ATOM 251 O HIS A 18 2.859 6.829 11.954 1.00 0.00 O ATOM 252 CB HIS A 18 3.888 9.396 12.352 1.00 0.00 C ATOM 253 CG HIS A 18 4.288 10.847 12.482 1.00 0.00 C ATOM 254 ND1 HIS A 18 4.473 11.467 13.705 1.00 0.00 N ATOM 255 CD2 HIS A 18 4.537 11.791 11.529 1.00 0.00 C ATOM 256 CE1 HIS A 18 4.817 12.728 13.487 1.00 0.00 C ATOM 257 NE2 HIS A 18 4.855 12.927 12.138 1.00 0.00 N ATOM 0 H HIS A 18 1.483 10.667 10.688 1.00 0.00 H new ATOM 0 HA HIS A 18 3.226 9.283 10.350 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.563 9.031 13.326 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.764 8.812 12.068 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.484 11.640 10.461 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.030 13.468 14.244 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.089 13.804 11.674 1.00 0.00 H new ATOM 264 N LYS A 19 1.044 7.552 10.814 1.00 0.00 N ATOM 265 CA LYS A 19 0.486 6.223 10.627 1.00 0.00 C ATOM 266 C LYS A 19 -0.626 6.284 9.579 1.00 0.00 C ATOM 267 O LYS A 19 -1.034 7.367 9.164 1.00 0.00 O ATOM 268 CB LYS A 19 0.037 5.638 11.968 1.00 0.00 C ATOM 269 CG LYS A 19 -0.878 6.613 12.713 1.00 0.00 C ATOM 270 CD LYS A 19 -1.569 5.925 13.891 1.00 0.00 C ATOM 271 CE LYS A 19 -2.834 5.197 13.435 1.00 0.00 C ATOM 272 NZ LYS A 19 -3.490 4.528 14.582 1.00 0.00 N ATOM 0 H LYS A 19 0.460 8.313 10.466 1.00 0.00 H new ATOM 0 HA LYS A 19 1.246 5.541 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.487 4.697 11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.910 5.412 12.581 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.295 7.461 13.073 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.628 7.009 12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.884 5.215 14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.824 6.665 14.650 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.524 5.906 12.977 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.582 4.460 12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.347 4.039 14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.836 3.837 15.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.748 5.238 15.297 1.00 0.00 H new ATOM 282 N LEU A 20 -1.085 5.107 9.180 1.00 0.00 N ATOM 283 CA LEU A 20 -2.230 5.012 8.290 1.00 0.00 C ATOM 284 C LEU A 20 -3.496 5.414 9.051 1.00 0.00 C ATOM 285 O LEU A 20 -3.476 5.538 10.274 1.00 0.00 O ATOM 286 CB LEU A 20 -2.306 3.619 7.662 1.00 0.00 C ATOM 287 CG LEU A 20 -1.073 3.169 6.876 1.00 0.00 C ATOM 288 CD1 LEU A 20 -1.161 1.683 6.523 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.866 4.041 5.636 1.00 0.00 C ATOM 0 H LEU A 20 -0.685 4.211 9.457 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.124 5.707 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.491 2.894 8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.168 3.589 6.995 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.196 3.298 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.272 1.388 5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.226 1.095 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.048 1.506 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.017 3.700 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.740 3.966 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.727 5.079 5.940 1.00 0.00 H new ATOM 300 N PRO A 21 -4.594 5.614 8.274 1.00 0.00 N ATOM 301 CA PRO A 21 -5.932 5.427 8.808 1.00 0.00 C ATOM 302 C PRO A 21 -6.261 3.940 8.953 1.00 0.00 C ATOM 303 O PRO A 21 -5.528 3.086 8.457 1.00 0.00 O ATOM 304 CB PRO A 21 -6.849 6.146 7.832 1.00 0.00 C ATOM 305 CG PRO A 21 -6.047 6.308 6.550 1.00 0.00 C ATOM 306 CD PRO A 21 -4.590 6.019 6.872 1.00 0.00 C ATOM 0 HA PRO A 21 -6.045 5.834 9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.758 5.571 7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.156 7.115 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.411 5.625 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.158 7.318 6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.192 5.231 6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.968 6.900 6.716 1.00 0.00 H new ATOM 311 N ASP A 22 -7.367 3.676 9.635 1.00 0.00 N ATOM 312 CA ASP A 22 -7.630 2.341 10.146 1.00 0.00 C ATOM 313 C ASP A 22 -8.175 1.466 9.015 1.00 0.00 C ATOM 314 O ASP A 22 -8.305 0.253 9.171 1.00 0.00 O ATOM 315 CB ASP A 22 -8.674 2.375 11.263 1.00 0.00 C ATOM 316 CG ASP A 22 -10.069 2.828 10.831 1.00 0.00 C ATOM 317 OD1 ASP A 22 -10.223 4.047 10.598 1.00 0.00 O ATOM 318 OD2 ASP A 22 -10.952 1.946 10.744 1.00 0.00 O ATOM 0 H ASP A 22 -8.090 4.364 9.845 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.696 1.939 10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.751 1.379 11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.320 3.041 12.050 1.00 0.00 H new ATOM 322 N ASN A 23 -8.481 2.117 7.902 1.00 0.00 N ATOM 323 CA ASN A 23 -9.308 1.500 6.878 1.00 0.00 C ATOM 324 C ASN A 23 -8.437 0.600 6.000 1.00 0.00 C ATOM 325 O ASN A 23 -8.945 -0.098 5.122 1.00 0.00 O ATOM 326 CB ASN A 23 -9.952 2.558 5.979 1.00 0.00 C ATOM 327 CG ASN A 23 -8.889 3.436 5.318 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.815 3.665 5.851 1.00 0.00 O ATOM 329 ND2 ASN A 23 -9.247 3.916 4.130 1.00 0.00 N ATOM 0 H ASN A 23 -8.171 3.065 7.687 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.089 0.926 7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.555 2.071 5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.627 3.179 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.607 4.515 3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.161 3.685 3.741 1.00 0.00 H new ATOM 335 N TYR A 24 -7.139 0.644 6.265 1.00 0.00 N ATOM 336 CA TYR A 24 -6.197 -0.187 5.536 1.00 0.00 C ATOM 337 C TYR A 24 -5.915 -1.487 6.291 1.00 0.00 C ATOM 338 O TYR A 24 -5.685 -1.470 7.499 1.00 0.00 O ATOM 339 CB TYR A 24 -4.904 0.625 5.440 1.00 0.00 C ATOM 340 CG TYR A 24 -4.989 1.820 4.488 1.00 0.00 C ATOM 341 CD1 TYR A 24 -6.174 2.105 3.842 1.00 0.00 C ATOM 342 CD2 TYR A 24 -3.879 2.612 4.275 1.00 0.00 C ATOM 343 CE1 TYR A 24 -6.254 3.230 2.947 1.00 0.00 C ATOM 344 CE2 TYR A 24 -3.958 3.736 3.380 1.00 0.00 C ATOM 345 CZ TYR A 24 -5.142 3.991 2.759 1.00 0.00 C ATOM 346 OH TYR A 24 -5.217 5.052 1.913 1.00 0.00 O ATOM 0 H TYR A 24 -6.718 1.243 6.975 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.597 -0.452 4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.638 0.984 6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.098 -0.032 5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.042 1.484 4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.951 2.388 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.176 3.465 2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.097 4.364 3.205 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.017 5.579 2.120 1.00 0.00 H new ATOM 355 N ILE A 25 -5.941 -2.584 5.547 1.00 0.00 N ATOM 356 CA ILE A 25 -5.575 -3.875 6.105 1.00 0.00 C ATOM 357 C ILE A 25 -4.336 -4.405 5.380 1.00 0.00 C ATOM 358 O ILE A 25 -4.025 -3.968 4.273 1.00 0.00 O ATOM 359 CB ILE A 25 -6.767 -4.833 6.065 1.00 0.00 C ATOM 360 CG1 ILE A 25 -7.137 -5.189 4.624 1.00 0.00 C ATOM 361 CG2 ILE A 25 -7.957 -4.259 6.838 1.00 0.00 C ATOM 362 CD1 ILE A 25 -7.997 -6.454 4.577 1.00 0.00 C ATOM 0 H ILE A 25 -6.210 -2.605 4.563 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.311 -3.775 7.158 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.477 -5.760 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.678 -4.360 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.230 -5.339 4.038 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -8.791 -4.959 6.794 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.672 -4.099 7.878 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.256 -3.310 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.247 -6.686 3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.444 -7.286 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.914 -6.292 5.144 1.00 0.00 H new ATOM 373 N THR A 26 -3.662 -5.339 6.034 1.00 0.00 N ATOM 374 CA THR A 26 -2.512 -5.992 5.431 1.00 0.00 C ATOM 375 C THR A 26 -2.956 -7.208 4.614 1.00 0.00 C ATOM 376 O THR A 26 -4.025 -7.766 4.856 1.00 0.00 O ATOM 377 CB THR A 26 -1.526 -6.339 6.549 1.00 0.00 C ATOM 378 OG1 THR A 26 -2.329 -6.985 7.533 1.00 0.00 O ATOM 379 CG2 THR A 26 -0.990 -5.096 7.262 1.00 0.00 C ATOM 0 H THR A 26 -3.890 -5.659 6.975 1.00 0.00 H new ATOM 0 HA THR A 26 -2.008 -5.332 4.725 1.00 0.00 H new ATOM 0 HB THR A 26 -0.693 -6.908 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.026 -7.910 7.646 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.295 -5.397 8.046 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.473 -4.459 6.544 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.819 -4.545 7.705 1.00 0.00 H new ATOM 387 N LYS A 27 -2.111 -7.583 3.665 1.00 0.00 N ATOM 388 CA LYS A 27 -2.386 -8.744 2.836 1.00 0.00 C ATOM 389 C LYS A 27 -2.612 -9.963 3.731 1.00 0.00 C ATOM 390 O LYS A 27 -3.383 -10.857 3.385 1.00 0.00 O ATOM 391 CB LYS A 27 -1.276 -8.937 1.800 1.00 0.00 C ATOM 392 CG LYS A 27 -1.355 -7.870 0.706 1.00 0.00 C ATOM 393 CD LYS A 27 -0.047 -7.800 -0.085 1.00 0.00 C ATOM 394 CE LYS A 27 0.113 -6.436 -0.759 1.00 0.00 C ATOM 395 NZ LYS A 27 1.506 -6.244 -1.218 1.00 0.00 N ATOM 0 H LYS A 27 -1.236 -7.104 3.452 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.302 -8.596 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.304 -8.889 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.359 -9.928 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.181 -8.096 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.566 -6.899 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.796 -7.981 0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.031 -8.587 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.569 -6.360 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.158 -5.645 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.700 -5.228 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.161 -6.651 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.638 -6.719 -2.134 1.00 0.00 H new ATOM 405 N SER A 28 -1.925 -9.961 4.864 1.00 0.00 N ATOM 406 CA SER A 28 -2.125 -10.998 5.862 1.00 0.00 C ATOM 407 C SER A 28 -3.584 -11.008 6.321 1.00 0.00 C ATOM 408 O SER A 28 -4.273 -12.019 6.190 1.00 0.00 O ATOM 409 CB SER A 28 -1.193 -10.797 7.059 1.00 0.00 C ATOM 410 OG SER A 28 -1.569 -9.668 7.844 1.00 0.00 O ATOM 0 H SER A 28 -1.229 -9.258 5.113 1.00 0.00 H new ATOM 0 HA SER A 28 -1.887 -11.960 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.204 -11.692 7.682 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.170 -10.668 6.705 1.00 0.00 H new ATOM 0 HG SER A 28 -0.951 -9.574 8.599 1.00 0.00 H new ATOM 415 N GLU A 29 -4.013 -9.871 6.849 1.00 0.00 N ATOM 416 CA GLU A 29 -5.339 -9.772 7.436 1.00 0.00 C ATOM 417 C GLU A 29 -6.405 -10.167 6.413 1.00 0.00 C ATOM 418 O GLU A 29 -7.266 -10.997 6.698 1.00 0.00 O ATOM 419 CB GLU A 29 -5.594 -8.364 7.977 1.00 0.00 C ATOM 420 CG GLU A 29 -4.818 -8.124 9.274 1.00 0.00 C ATOM 421 CD GLU A 29 -4.898 -6.656 9.698 1.00 0.00 C ATOM 422 OE1 GLU A 29 -4.529 -5.803 8.863 1.00 0.00 O ATOM 423 OE2 GLU A 29 -5.328 -6.421 10.848 1.00 0.00 O ATOM 0 H GLU A 29 -3.466 -9.011 6.883 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.396 -10.465 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.300 -7.626 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.660 -8.228 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.220 -8.757 10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.775 -8.410 9.136 1.00 0.00 H new ATOM 428 N ALA A 30 -6.311 -9.555 5.241 1.00 0.00 N ATOM 429 CA ALA A 30 -7.217 -9.878 4.153 1.00 0.00 C ATOM 430 C ALA A 30 -7.312 -11.399 4.009 1.00 0.00 C ATOM 431 O ALA A 30 -8.405 -11.963 4.057 1.00 0.00 O ATOM 432 CB ALA A 30 -6.737 -9.199 2.869 1.00 0.00 C ATOM 0 H ALA A 30 -5.621 -8.837 5.022 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.219 -9.504 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.417 -9.442 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.716 -8.119 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.735 -9.552 2.623 1.00 0.00 H new ATOM 438 N GLN A 31 -6.155 -12.018 3.834 1.00 0.00 N ATOM 439 CA GLN A 31 -6.106 -13.427 3.484 1.00 0.00 C ATOM 440 C GLN A 31 -6.791 -14.267 4.564 1.00 0.00 C ATOM 441 O GLN A 31 -7.540 -15.192 4.254 1.00 0.00 O ATOM 442 CB GLN A 31 -4.663 -13.887 3.264 1.00 0.00 C ATOM 443 CG GLN A 31 -4.258 -13.740 1.795 1.00 0.00 C ATOM 444 CD GLN A 31 -2.953 -14.487 1.510 1.00 0.00 C ATOM 445 OE1 GLN A 31 -2.279 -14.976 2.401 1.00 0.00 O ATOM 446 NE2 GLN A 31 -2.636 -14.547 0.219 1.00 0.00 N ATOM 0 H GLN A 31 -5.244 -11.570 3.928 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.645 -13.568 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.991 -13.300 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.558 -14.928 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.051 -14.127 1.155 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.138 -12.685 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.245 -14.116 -0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.784 -15.024 -0.075 1.00 0.00 H new ATOM 453 N ALA A 32 -6.508 -13.916 5.810 1.00 0.00 N ATOM 454 CA ALA A 32 -7.121 -14.597 6.936 1.00 0.00 C ATOM 455 C ALA A 32 -8.642 -14.581 6.771 1.00 0.00 C ATOM 456 O ALA A 32 -9.314 -15.564 7.080 1.00 0.00 O ATOM 457 CB ALA A 32 -6.669 -13.936 8.241 1.00 0.00 C ATOM 0 H ALA A 32 -5.862 -13.169 6.064 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.805 -15.639 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.129 -14.447 9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.584 -14.001 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.971 -12.889 8.242 1.00 0.00 H new ATOM 463 N LEU A 33 -9.140 -13.454 6.285 1.00 0.00 N ATOM 464 CA LEU A 33 -10.575 -13.247 6.195 1.00 0.00 C ATOM 465 C LEU A 33 -11.133 -14.067 5.031 1.00 0.00 C ATOM 466 O LEU A 33 -12.344 -14.254 4.922 1.00 0.00 O ATOM 467 CB LEU A 33 -10.898 -11.754 6.106 1.00 0.00 C ATOM 468 CG LEU A 33 -10.788 -10.966 7.413 1.00 0.00 C ATOM 469 CD1 LEU A 33 -10.381 -9.515 7.145 1.00 0.00 C ATOM 470 CD2 LEU A 33 -12.086 -11.057 8.219 1.00 0.00 C ATOM 0 H LEU A 33 -8.575 -12.674 5.949 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.067 -13.602 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.230 -11.301 5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.912 -11.644 5.723 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.001 -11.416 8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.310 -8.977 8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.414 -9.495 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.129 -9.038 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.981 -10.488 9.143 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.908 -10.647 7.632 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.294 -12.100 8.457 1.00 0.00 H new ATOM 481 N GLY A 34 -10.223 -14.535 4.188 1.00 0.00 N ATOM 482 CA GLY A 34 -10.596 -15.418 3.097 1.00 0.00 C ATOM 483 C GLY A 34 -10.555 -14.681 1.756 1.00 0.00 C ATOM 484 O GLY A 34 -10.906 -15.247 0.722 1.00 0.00 O ATOM 0 H GLY A 34 -9.228 -14.318 4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.919 -16.272 3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.598 -15.812 3.269 1.00 0.00 H new ATOM 488 N TRP A 35 -10.122 -13.430 1.819 1.00 0.00 N ATOM 489 CA TRP A 35 -9.751 -12.706 0.614 1.00 0.00 C ATOM 490 C TRP A 35 -8.900 -13.636 -0.253 1.00 0.00 C ATOM 491 O TRP A 35 -8.011 -14.320 0.252 1.00 0.00 O ATOM 492 CB TRP A 35 -9.043 -11.395 0.960 1.00 0.00 C ATOM 493 CG TRP A 35 -8.330 -10.741 -0.227 1.00 0.00 C ATOM 494 CD1 TRP A 35 -8.878 -10.220 -1.333 1.00 0.00 C ATOM 495 CD2 TRP A 35 -6.907 -10.561 -0.381 1.00 0.00 C ATOM 496 NE1 TRP A 35 -7.916 -9.718 -2.185 1.00 0.00 N ATOM 497 CE2 TRP A 35 -6.679 -9.931 -1.588 1.00 0.00 C ATOM 498 CE3 TRP A 35 -5.847 -10.917 0.471 1.00 0.00 C ATOM 499 CZ2 TRP A 35 -5.400 -9.604 -2.052 1.00 0.00 C ATOM 500 CZ3 TRP A 35 -4.574 -10.582 -0.007 1.00 0.00 C ATOM 501 CH2 TRP A 35 -4.328 -9.948 -1.220 1.00 0.00 C ATOM 0 H TRP A 35 -10.020 -12.900 2.684 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.637 -12.418 0.048 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -9.774 -10.694 1.363 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.315 -11.584 1.749 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.939 -10.196 -1.532 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.082 -9.272 -3.087 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.002 -11.410 1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.248 -9.112 -3.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.724 -10.834 0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.315 -9.722 -1.519 1.00 0.00 H new ATOM 511 N VAL A 36 -9.201 -13.630 -1.543 1.00 0.00 N ATOM 512 CA VAL A 36 -8.255 -14.113 -2.535 1.00 0.00 C ATOM 513 C VAL A 36 -8.036 -13.031 -3.594 1.00 0.00 C ATOM 514 O VAL A 36 -8.981 -12.603 -4.253 1.00 0.00 O ATOM 515 CB VAL A 36 -8.746 -15.436 -3.125 1.00 0.00 C ATOM 516 CG1 VAL A 36 -7.569 -16.321 -3.542 1.00 0.00 C ATOM 517 CG2 VAL A 36 -9.661 -16.170 -2.141 1.00 0.00 C ATOM 0 H VAL A 36 -10.087 -13.298 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.289 -14.317 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.328 -15.208 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.946 -17.255 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.973 -15.803 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.949 -16.536 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.996 -17.107 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.114 -16.379 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.526 -15.547 -1.914 1.00 0.00 H new ATOM 527 N ALA A 37 -6.783 -12.621 -3.723 1.00 0.00 N ATOM 528 CA ALA A 37 -6.412 -11.663 -4.751 1.00 0.00 C ATOM 529 C ALA A 37 -6.912 -12.159 -6.110 1.00 0.00 C ATOM 530 O ALA A 37 -7.221 -11.359 -6.991 1.00 0.00 O ATOM 531 CB ALA A 37 -4.897 -11.450 -4.730 1.00 0.00 C ATOM 0 H ALA A 37 -6.012 -12.934 -3.133 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.879 -10.697 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.620 -10.731 -5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.597 -11.069 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.394 -12.398 -4.920 1.00 0.00 H new ATOM 537 N SER A 38 -6.973 -13.476 -6.236 1.00 0.00 N ATOM 538 CA SER A 38 -7.295 -14.091 -7.512 1.00 0.00 C ATOM 539 C SER A 38 -8.776 -14.475 -7.551 1.00 0.00 C ATOM 540 O SER A 38 -9.233 -15.102 -8.504 1.00 0.00 O ATOM 541 CB SER A 38 -6.421 -15.322 -7.766 1.00 0.00 C ATOM 542 OG SER A 38 -6.637 -15.872 -9.063 1.00 0.00 O ATOM 0 H SER A 38 -6.805 -14.134 -5.475 1.00 0.00 H new ATOM 0 HA SER A 38 -7.094 -13.366 -8.301 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.371 -15.050 -7.658 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.633 -16.079 -7.011 1.00 0.00 H new ATOM 0 HG SER A 38 -7.592 -15.837 -9.278 1.00 0.00 H new ATOM 547 N LYS A 39 -9.483 -14.081 -6.502 1.00 0.00 N ATOM 548 CA LYS A 39 -10.929 -13.963 -6.578 1.00 0.00 C ATOM 549 C LYS A 39 -11.308 -12.491 -6.748 1.00 0.00 C ATOM 550 O LYS A 39 -12.439 -12.176 -7.119 1.00 0.00 O ATOM 551 CB LYS A 39 -11.585 -14.630 -5.367 1.00 0.00 C ATOM 552 CG LYS A 39 -11.514 -16.155 -5.476 1.00 0.00 C ATOM 553 CD LYS A 39 -12.433 -16.821 -4.449 1.00 0.00 C ATOM 554 CE LYS A 39 -12.201 -18.333 -4.406 1.00 0.00 C ATOM 555 NZ LYS A 39 -12.659 -18.963 -5.664 1.00 0.00 N ATOM 0 H LYS A 39 -9.082 -13.840 -5.596 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.309 -14.494 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.088 -14.304 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.626 -14.315 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.800 -16.465 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.488 -16.487 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.253 -16.393 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.474 -16.616 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.142 -18.540 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.736 -18.765 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.557 -19.996 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.658 -18.724 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.084 -18.613 -6.457 1.00 0.00 H new ATOM 565 N GLY A 40 -10.342 -11.628 -6.470 1.00 0.00 N ATOM 566 CA GLY A 40 -10.480 -10.219 -6.794 1.00 0.00 C ATOM 567 C GLY A 40 -11.285 -9.485 -5.720 1.00 0.00 C ATOM 568 O GLY A 40 -11.656 -8.326 -5.899 1.00 0.00 O ATOM 0 H GLY A 40 -9.460 -11.878 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.493 -9.765 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.973 -10.111 -7.760 1.00 0.00 H new ATOM 572 N ASN A 41 -11.533 -10.191 -4.626 1.00 0.00 N ATOM 573 CA ASN A 41 -12.790 -10.048 -3.911 1.00 0.00 C ATOM 574 C ASN A 41 -12.544 -9.305 -2.597 1.00 0.00 C ATOM 575 O ASN A 41 -13.183 -9.595 -1.587 1.00 0.00 O ATOM 576 CB ASN A 41 -13.392 -11.415 -3.577 1.00 0.00 C ATOM 577 CG ASN A 41 -12.486 -12.192 -2.620 1.00 0.00 C ATOM 578 OD1 ASN A 41 -11.286 -12.302 -2.811 1.00 0.00 O ATOM 579 ND2 ASN A 41 -13.127 -12.724 -1.582 1.00 0.00 N ATOM 0 H ASN A 41 -10.884 -10.864 -4.217 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.480 -9.496 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -14.376 -11.283 -3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.535 -11.987 -4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.612 -13.262 -0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.134 -12.593 -1.483 1.00 0.00 H new ATOM 585 N LEU A 42 -11.616 -8.361 -2.653 1.00 0.00 N ATOM 586 CA LEU A 42 -11.247 -7.604 -1.469 1.00 0.00 C ATOM 587 C LEU A 42 -12.463 -6.820 -0.971 1.00 0.00 C ATOM 588 O LEU A 42 -12.649 -6.655 0.233 1.00 0.00 O ATOM 589 CB LEU A 42 -10.024 -6.728 -1.753 1.00 0.00 C ATOM 590 CG LEU A 42 -9.451 -5.970 -0.554 1.00 0.00 C ATOM 591 CD1 LEU A 42 -8.621 -6.897 0.335 1.00 0.00 C ATOM 592 CD2 LEU A 42 -8.651 -4.747 -1.011 1.00 0.00 C ATOM 0 H LEU A 42 -11.109 -8.103 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.949 -8.276 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.238 -7.359 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.291 -6.003 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.283 -5.605 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.225 -6.333 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.250 -7.708 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.795 -7.312 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.254 -4.225 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.827 -5.069 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.302 -4.075 -1.571 1.00 0.00 H new ATOM 603 N ALA A 43 -13.260 -6.356 -1.924 1.00 0.00 N ATOM 604 CA ALA A 43 -14.364 -5.468 -1.609 1.00 0.00 C ATOM 605 C ALA A 43 -15.522 -6.284 -1.032 1.00 0.00 C ATOM 606 O ALA A 43 -16.485 -5.721 -0.513 1.00 0.00 O ATOM 607 CB ALA A 43 -14.767 -4.689 -2.863 1.00 0.00 C ATOM 0 H ALA A 43 -13.162 -6.579 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.067 -4.740 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -15.596 -4.022 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.919 -4.102 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.074 -5.387 -3.642 1.00 0.00 H new ATOM 613 N ASP A 44 -15.392 -7.598 -1.144 1.00 0.00 N ATOM 614 CA ASP A 44 -16.477 -8.491 -0.776 1.00 0.00 C ATOM 615 C ASP A 44 -16.251 -8.999 0.650 1.00 0.00 C ATOM 616 O ASP A 44 -17.207 -9.229 1.389 1.00 0.00 O ATOM 617 CB ASP A 44 -16.531 -9.704 -1.707 1.00 0.00 C ATOM 618 CG ASP A 44 -17.070 -10.986 -1.068 1.00 0.00 C ATOM 619 OD1 ASP A 44 -18.288 -11.012 -0.789 1.00 0.00 O ATOM 620 OD2 ASP A 44 -16.251 -11.910 -0.872 1.00 0.00 O ATOM 0 H ASP A 44 -14.552 -8.065 -1.484 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.412 -7.936 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.153 -9.456 -2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.527 -9.898 -2.085 1.00 0.00 H new ATOM 624 N VAL A 45 -14.982 -9.158 0.994 1.00 0.00 N ATOM 625 CA VAL A 45 -14.619 -9.638 2.317 1.00 0.00 C ATOM 626 C VAL A 45 -14.469 -8.445 3.264 1.00 0.00 C ATOM 627 O VAL A 45 -14.512 -8.606 4.482 1.00 0.00 O ATOM 628 CB VAL A 45 -13.357 -10.498 2.234 1.00 0.00 C ATOM 629 CG1 VAL A 45 -13.636 -11.814 1.506 1.00 0.00 C ATOM 630 CG2 VAL A 45 -12.215 -9.731 1.563 1.00 0.00 C ATOM 0 H VAL A 45 -14.192 -8.963 0.380 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.405 -10.277 2.720 1.00 0.00 H new ATOM 0 HB VAL A 45 -13.048 -10.738 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.722 -12.406 1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -14.403 -12.371 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.982 -11.604 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.329 -10.365 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.511 -9.447 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.990 -8.835 2.141 1.00 0.00 H new ATOM 640 N ALA A 46 -14.297 -7.275 2.666 1.00 0.00 N ATOM 641 CA ALA A 46 -13.960 -6.087 3.432 1.00 0.00 C ATOM 642 C ALA A 46 -14.415 -4.844 2.664 1.00 0.00 C ATOM 643 O ALA A 46 -13.597 -4.140 2.075 1.00 0.00 O ATOM 644 CB ALA A 46 -12.458 -6.075 3.724 1.00 0.00 C ATOM 0 H ALA A 46 -14.385 -7.124 1.661 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.478 -6.090 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.206 -5.184 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.192 -6.963 4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.905 -6.070 2.785 1.00 0.00 H new ATOM 650 N PRO A 47 -15.754 -4.607 2.695 1.00 0.00 N ATOM 651 CA PRO A 47 -16.357 -3.610 1.827 1.00 0.00 C ATOM 652 C PRO A 47 -16.060 -2.195 2.326 1.00 0.00 C ATOM 653 O PRO A 47 -16.467 -1.822 3.425 1.00 0.00 O ATOM 654 CB PRO A 47 -17.842 -3.938 1.824 1.00 0.00 C ATOM 655 CG PRO A 47 -18.079 -4.810 3.046 1.00 0.00 C ATOM 656 CD PRO A 47 -16.724 -5.277 3.555 1.00 0.00 C ATOM 0 HA PRO A 47 -15.954 -3.636 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.443 -3.030 1.870 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.125 -4.461 0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -18.605 -4.249 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -18.706 -5.664 2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -16.579 -5.006 4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -16.629 -6.361 3.490 1.00 0.00 H new ATOM 661 N GLY A 48 -15.351 -1.446 1.495 1.00 0.00 N ATOM 662 CA GLY A 48 -15.075 -0.051 1.794 1.00 0.00 C ATOM 663 C GLY A 48 -13.614 0.142 2.205 1.00 0.00 C ATOM 664 O GLY A 48 -13.101 1.260 2.182 1.00 0.00 O ATOM 0 H GLY A 48 -14.959 -1.779 0.614 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.295 0.562 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.730 0.290 2.596 1.00 0.00 H new ATOM 668 N LYS A 49 -12.984 -0.964 2.572 1.00 0.00 N ATOM 669 CA LYS A 49 -11.607 -0.924 3.033 1.00 0.00 C ATOM 670 C LYS A 49 -10.669 -1.138 1.843 1.00 0.00 C ATOM 671 O LYS A 49 -11.117 -1.478 0.748 1.00 0.00 O ATOM 672 CB LYS A 49 -11.393 -1.923 4.172 1.00 0.00 C ATOM 673 CG LYS A 49 -12.107 -1.464 5.445 1.00 0.00 C ATOM 674 CD LYS A 49 -11.931 -2.485 6.571 1.00 0.00 C ATOM 675 CE LYS A 49 -12.681 -2.047 7.830 1.00 0.00 C ATOM 676 NZ LYS A 49 -12.008 -0.888 8.459 1.00 0.00 N ATOM 0 H LYS A 49 -13.402 -1.894 2.559 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.374 0.055 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.765 -2.904 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.327 -2.033 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.712 -0.498 5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.168 -1.323 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.298 -3.458 6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.871 -2.603 6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.708 -1.784 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.730 -2.875 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.437 -0.700 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.997 -1.098 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.117 -0.051 7.851 1.00 0.00 H new ATOM 686 N SER A 50 -9.385 -0.931 2.097 1.00 0.00 N ATOM 687 CA SER A 50 -8.373 -1.168 1.083 1.00 0.00 C ATOM 688 C SER A 50 -7.198 -1.941 1.686 1.00 0.00 C ATOM 689 O SER A 50 -7.213 -2.277 2.869 1.00 0.00 O ATOM 690 CB SER A 50 -7.886 0.147 0.472 1.00 0.00 C ATOM 691 OG SER A 50 -8.941 0.864 -0.164 1.00 0.00 O ATOM 0 H SER A 50 -9.023 -0.601 2.992 1.00 0.00 H new ATOM 0 HA SER A 50 -8.820 -1.763 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.445 0.768 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.099 -0.060 -0.254 1.00 0.00 H new ATOM 0 HG SER A 50 -9.105 0.485 -1.053 1.00 0.00 H new ATOM 696 N ILE A 51 -6.209 -2.202 0.845 1.00 0.00 N ATOM 697 CA ILE A 51 -4.906 -2.623 1.331 1.00 0.00 C ATOM 698 C ILE A 51 -4.079 -1.389 1.694 1.00 0.00 C ATOM 699 O ILE A 51 -4.226 -0.334 1.078 1.00 0.00 O ATOM 700 CB ILE A 51 -4.226 -3.541 0.312 1.00 0.00 C ATOM 701 CG1 ILE A 51 -5.144 -4.701 -0.079 1.00 0.00 C ATOM 702 CG2 ILE A 51 -2.873 -4.031 0.834 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.021 -5.857 0.917 1.00 0.00 C ATOM 0 H ILE A 51 -6.283 -2.130 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.011 -3.215 2.240 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.033 -2.965 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.177 -4.356 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.889 -5.050 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.410 -4.681 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.224 -3.176 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.020 -4.585 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.684 -6.668 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.992 -6.216 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.300 -5.511 1.912 1.00 0.00 H new ATOM 714 N GLY A 52 -3.224 -1.561 2.692 1.00 0.00 N ATOM 715 CA GLY A 52 -2.230 -0.550 3.009 1.00 0.00 C ATOM 716 C GLY A 52 -1.393 -0.965 4.222 1.00 0.00 C ATOM 717 O GLY A 52 -1.859 -1.722 5.071 1.00 0.00 O ATOM 0 H GLY A 52 -3.199 -2.386 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.578 -0.393 2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.724 0.400 3.212 1.00 0.00 H new ATOM 721 N GLY A 53 -0.173 -0.449 4.263 1.00 0.00 N ATOM 722 CA GLY A 53 0.716 -0.722 5.380 1.00 0.00 C ATOM 723 C GLY A 53 1.641 -1.900 5.069 1.00 0.00 C ATOM 724 O GLY A 53 2.648 -2.099 5.747 1.00 0.00 O ATOM 0 H GLY A 53 0.220 0.156 3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.311 0.164 5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.129 -0.942 6.272 1.00 0.00 H new ATOM 728 N ASP A 54 1.267 -2.650 4.043 1.00 0.00 N ATOM 729 CA ASP A 54 2.082 -3.767 3.596 1.00 0.00 C ATOM 730 C ASP A 54 3.490 -3.265 3.266 1.00 0.00 C ATOM 731 O ASP A 54 3.743 -2.062 3.282 1.00 0.00 O ATOM 732 CB ASP A 54 1.499 -4.404 2.333 1.00 0.00 C ATOM 733 CG ASP A 54 0.424 -5.463 2.580 1.00 0.00 C ATOM 734 OD1 ASP A 54 0.813 -6.640 2.741 1.00 0.00 O ATOM 735 OD2 ASP A 54 -0.763 -5.073 2.602 1.00 0.00 O ATOM 0 H ASP A 54 0.410 -2.506 3.508 1.00 0.00 H new ATOM 0 HA ASP A 54 2.106 -4.508 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.075 -3.617 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.311 -4.858 1.765 1.00 0.00 H new ATOM 739 N ILE A 55 4.368 -4.214 2.973 1.00 0.00 N ATOM 740 CA ILE A 55 5.706 -3.878 2.518 1.00 0.00 C ATOM 741 C ILE A 55 5.705 -3.745 0.994 1.00 0.00 C ATOM 742 O ILE A 55 4.911 -4.391 0.311 1.00 0.00 O ATOM 743 CB ILE A 55 6.721 -4.895 3.046 1.00 0.00 C ATOM 744 CG1 ILE A 55 6.620 -5.031 4.567 1.00 0.00 C ATOM 745 CG2 ILE A 55 8.139 -4.539 2.595 1.00 0.00 C ATOM 746 CD1 ILE A 55 6.426 -3.665 5.228 1.00 0.00 C ATOM 0 H ILE A 55 4.179 -5.214 3.042 1.00 0.00 H new ATOM 0 HA ILE A 55 6.015 -2.913 2.921 1.00 0.00 H new ATOM 0 HB ILE A 55 6.483 -5.869 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.786 -5.684 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.524 -5.501 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.841 -5.277 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.184 -4.534 1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.404 -3.552 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.357 -3.790 6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.274 -3.022 4.990 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.509 -3.208 4.857 1.00 0.00 H new ATOM 757 N PHE A 56 6.604 -2.904 0.505 1.00 0.00 N ATOM 758 CA PHE A 56 6.857 -2.828 -0.924 1.00 0.00 C ATOM 759 C PHE A 56 8.154 -3.555 -1.290 1.00 0.00 C ATOM 760 O PHE A 56 8.203 -4.279 -2.283 1.00 0.00 O ATOM 761 CB PHE A 56 7.002 -1.346 -1.275 1.00 0.00 C ATOM 762 CG PHE A 56 7.789 -1.083 -2.560 1.00 0.00 C ATOM 763 CD1 PHE A 56 7.356 -1.600 -3.740 1.00 0.00 C ATOM 764 CD2 PHE A 56 8.924 -0.334 -2.521 1.00 0.00 C ATOM 765 CE1 PHE A 56 8.088 -1.356 -4.933 1.00 0.00 C ATOM 766 CE2 PHE A 56 9.655 -0.091 -3.713 1.00 0.00 C ATOM 767 CZ PHE A 56 9.221 -0.607 -4.895 1.00 0.00 C ATOM 0 H PHE A 56 7.166 -2.270 1.072 1.00 0.00 H new ATOM 0 HA PHE A 56 6.040 -3.298 -1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.009 -0.908 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.495 -0.834 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.456 -2.196 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.269 0.076 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.744 -1.766 -5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.556 0.504 -3.682 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.777 -0.421 -5.802 1.00 0.00 H new ATOM 776 N SER A 57 9.170 -3.334 -0.470 1.00 0.00 N ATOM 777 CA SER A 57 10.475 -3.925 -0.719 1.00 0.00 C ATOM 778 C SER A 57 11.129 -3.256 -1.929 1.00 0.00 C ATOM 779 O SER A 57 10.671 -3.422 -3.058 1.00 0.00 O ATOM 780 CB SER A 57 10.362 -5.435 -0.943 1.00 0.00 C ATOM 781 OG SER A 57 11.595 -6.104 -0.694 1.00 0.00 O ATOM 0 H SER A 57 9.117 -2.754 0.367 1.00 0.00 H new ATOM 0 HA SER A 57 11.099 -3.761 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.590 -5.842 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.046 -5.627 -1.968 1.00 0.00 H new ATOM 0 HG SER A 57 11.482 -7.066 -0.846 1.00 0.00 H new ATOM 786 N ASN A 58 12.190 -2.513 -1.651 1.00 0.00 N ATOM 787 CA ASN A 58 12.948 -1.866 -2.709 1.00 0.00 C ATOM 788 C ASN A 58 13.802 -2.910 -3.431 1.00 0.00 C ATOM 789 O ASN A 58 15.003 -3.014 -3.183 1.00 0.00 O ATOM 790 CB ASN A 58 13.886 -0.799 -2.141 1.00 0.00 C ATOM 791 CG ASN A 58 14.647 -0.086 -3.260 1.00 0.00 C ATOM 792 OD1 ASN A 58 15.793 -0.384 -3.554 1.00 0.00 O ATOM 793 ND2 ASN A 58 13.948 0.870 -3.867 1.00 0.00 N ATOM 0 H ASN A 58 12.543 -2.344 -0.709 1.00 0.00 H new ATOM 0 HA ASN A 58 12.240 -1.397 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.311 -0.072 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.593 -1.261 -1.452 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.368 1.404 -4.628 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.992 1.069 -3.571 1.00 0.00 H new ATOM 799 N ARG A 59 13.150 -3.657 -4.309 1.00 0.00 N ATOM 800 CA ARG A 59 13.842 -4.664 -5.095 1.00 0.00 C ATOM 801 C ARG A 59 14.376 -4.051 -6.391 1.00 0.00 C ATOM 802 O ARG A 59 15.420 -4.463 -6.894 1.00 0.00 O ATOM 803 CB ARG A 59 12.913 -5.831 -5.437 1.00 0.00 C ATOM 804 CG ARG A 59 12.465 -6.563 -4.171 1.00 0.00 C ATOM 805 CD ARG A 59 11.499 -7.701 -4.508 1.00 0.00 C ATOM 806 NE ARG A 59 11.115 -8.422 -3.275 1.00 0.00 N ATOM 807 CZ ARG A 59 11.854 -9.385 -2.707 1.00 0.00 C ATOM 808 NH1 ARG A 59 13.059 -9.687 -3.208 1.00 0.00 N ATOM 809 NH2 ARG A 59 11.387 -10.046 -1.639 1.00 0.00 N ATOM 0 H ARG A 59 12.149 -3.585 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 59 14.672 -5.039 -4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.041 -5.461 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.426 -6.526 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.335 -6.962 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.982 -5.860 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.610 -7.302 -4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.967 -8.390 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 59 10.233 -8.171 -2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.414 -9.184 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.622 -10.420 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.469 -9.816 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.949 -10.779 -1.207 1.00 0.00 H new ATOM 820 N GLU A 60 13.636 -3.073 -6.896 1.00 0.00 N ATOM 821 CA GLU A 60 13.878 -2.567 -8.235 1.00 0.00 C ATOM 822 C GLU A 60 14.941 -1.467 -8.203 1.00 0.00 C ATOM 823 O GLU A 60 15.584 -1.190 -9.214 1.00 0.00 O ATOM 824 CB GLU A 60 12.583 -2.060 -8.872 1.00 0.00 C ATOM 825 CG GLU A 60 11.523 -3.162 -8.914 1.00 0.00 C ATOM 826 CD GLU A 60 11.998 -4.347 -9.759 1.00 0.00 C ATOM 827 OE1 GLU A 60 12.061 -4.173 -10.994 1.00 0.00 O ATOM 828 OE2 GLU A 60 12.287 -5.399 -9.149 1.00 0.00 O ATOM 0 H GLU A 60 12.869 -2.619 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 60 14.250 -3.386 -8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.205 -1.208 -8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.785 -1.707 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.302 -3.498 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.596 -2.764 -9.327 1.00 0.00 H new ATOM 833 N GLY A 61 15.091 -0.868 -7.030 1.00 0.00 N ATOM 834 CA GLY A 61 15.981 0.270 -6.880 1.00 0.00 C ATOM 835 C GLY A 61 15.363 1.533 -7.482 1.00 0.00 C ATOM 836 O GLY A 61 16.080 2.432 -7.919 1.00 0.00 O ATOM 0 H GLY A 61 14.611 -1.150 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.194 0.433 -5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.933 0.059 -7.368 1.00 0.00 H new ATOM 840 N LYS A 62 14.038 1.560 -7.487 1.00 0.00 N ATOM 841 CA LYS A 62 13.315 2.680 -8.066 1.00 0.00 C ATOM 842 C LYS A 62 13.206 3.801 -7.032 1.00 0.00 C ATOM 843 O LYS A 62 13.379 4.973 -7.362 1.00 0.00 O ATOM 844 CB LYS A 62 11.963 2.216 -8.616 1.00 0.00 C ATOM 845 CG LYS A 62 12.147 1.350 -9.863 1.00 0.00 C ATOM 846 CD LYS A 62 12.196 2.211 -11.127 1.00 0.00 C ATOM 847 CE LYS A 62 12.264 1.339 -12.383 1.00 0.00 C ATOM 848 NZ LYS A 62 12.159 2.175 -13.600 1.00 0.00 N ATOM 0 H LYS A 62 13.447 0.825 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 62 13.859 3.086 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.430 1.651 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.348 3.083 -8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.067 0.772 -9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.328 0.635 -9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.314 2.849 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.064 2.869 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.201 0.783 -12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.458 0.605 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.325 1.586 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.208 2.594 -13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.870 2.933 -13.563 1.00 0.00 H new ATOM 858 N LEU A 63 12.919 3.402 -5.800 1.00 0.00 N ATOM 859 CA LEU A 63 12.944 4.334 -4.687 1.00 0.00 C ATOM 860 C LEU A 63 14.347 4.357 -4.077 1.00 0.00 C ATOM 861 O LEU A 63 15.144 3.450 -4.311 1.00 0.00 O ATOM 862 CB LEU A 63 11.841 3.998 -3.681 1.00 0.00 C ATOM 863 CG LEU A 63 10.405 4.116 -4.196 1.00 0.00 C ATOM 864 CD1 LEU A 63 9.415 3.507 -3.201 1.00 0.00 C ATOM 865 CD2 LEU A 63 10.061 5.567 -4.534 1.00 0.00 C ATOM 0 H LEU A 63 12.668 2.446 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 63 12.730 5.345 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.997 2.979 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.952 4.654 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 63 10.325 3.544 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.402 3.604 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.648 2.452 -3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.489 4.030 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.035 5.622 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.163 6.183 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.739 5.932 -5.305 1.00 0.00 H new ATOM 876 N PRO A 64 14.613 5.431 -3.286 1.00 0.00 N ATOM 877 CA PRO A 64 15.874 5.540 -2.573 1.00 0.00 C ATOM 878 C PRO A 64 15.906 4.600 -1.367 1.00 0.00 C ATOM 879 O PRO A 64 15.193 4.815 -0.387 1.00 0.00 O ATOM 880 CB PRO A 64 15.981 7.006 -2.186 1.00 0.00 C ATOM 881 CG PRO A 64 14.571 7.567 -2.285 1.00 0.00 C ATOM 882 CD PRO A 64 13.723 6.563 -3.050 1.00 0.00 C ATOM 0 HA PRO A 64 16.728 5.238 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.375 7.116 -1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 64 16.661 7.537 -2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.157 7.737 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 64 14.578 8.529 -2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.847 6.265 -2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.360 6.984 -3.988 1.00 0.00 H new ATOM 887 N GLY A 65 16.741 3.576 -1.477 1.00 0.00 N ATOM 888 CA GLY A 65 16.777 2.529 -0.471 1.00 0.00 C ATOM 889 C GLY A 65 18.180 2.388 0.124 1.00 0.00 C ATOM 890 O GLY A 65 19.175 2.615 -0.563 1.00 0.00 O ATOM 0 H GLY A 65 17.397 3.450 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 65 16.063 2.756 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.470 1.582 -0.915 1.00 0.00 H new ATOM 894 N LYS A 66 18.215 2.012 1.394 1.00 0.00 N ATOM 895 CA LYS A 66 19.479 1.838 2.089 1.00 0.00 C ATOM 896 C LYS A 66 19.399 0.599 2.982 1.00 0.00 C ATOM 897 O LYS A 66 18.314 0.074 3.226 1.00 0.00 O ATOM 898 CB LYS A 66 19.857 3.116 2.841 1.00 0.00 C ATOM 899 CG LYS A 66 20.332 4.202 1.875 1.00 0.00 C ATOM 900 CD LYS A 66 20.917 5.395 2.635 1.00 0.00 C ATOM 901 CE LYS A 66 21.373 6.490 1.668 1.00 0.00 C ATOM 902 NZ LYS A 66 21.974 7.620 2.412 1.00 0.00 N ATOM 0 H LYS A 66 17.388 1.823 1.960 1.00 0.00 H new ATOM 0 HA LYS A 66 20.285 1.665 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 66 18.997 3.477 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 66 20.644 2.898 3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.084 3.791 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 66 19.498 4.534 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.170 5.797 3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.761 5.066 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.099 6.083 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.524 6.843 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.278 8.354 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.270 8.018 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.796 7.282 2.952 1.00 0.00 H new ATOM 912 N SER A 67 20.562 0.167 3.446 1.00 0.00 N ATOM 913 CA SER A 67 20.631 -0.961 4.360 1.00 0.00 C ATOM 914 C SER A 67 20.137 -0.542 5.746 1.00 0.00 C ATOM 915 O SER A 67 20.937 -0.314 6.651 1.00 0.00 O ATOM 916 CB SER A 67 22.056 -1.511 4.449 1.00 0.00 C ATOM 917 OG SER A 67 22.546 -1.933 3.178 1.00 0.00 O ATOM 0 H SER A 67 21.464 0.578 3.206 1.00 0.00 H new ATOM 0 HA SER A 67 19.988 -1.753 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 67 22.716 -0.744 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 67 22.078 -2.351 5.143 1.00 0.00 H new ATOM 0 HG SER A 67 23.459 -2.276 3.277 1.00 0.00 H new ATOM 922 N GLY A 68 18.821 -0.454 5.867 1.00 0.00 N ATOM 923 CA GLY A 68 18.212 -0.028 7.116 1.00 0.00 C ATOM 924 C GLY A 68 16.813 0.543 6.877 1.00 0.00 C ATOM 925 O GLY A 68 15.874 0.220 7.603 1.00 0.00 O ATOM 0 H GLY A 68 18.159 -0.670 5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 68 18.152 -0.873 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 68 18.840 0.725 7.592 1.00 0.00 H new ATOM 929 N ARG A 69 16.718 1.383 5.857 1.00 0.00 N ATOM 930 CA ARG A 69 15.436 1.944 5.466 1.00 0.00 C ATOM 931 C ARG A 69 14.543 0.857 4.863 1.00 0.00 C ATOM 932 O ARG A 69 14.999 0.053 4.052 1.00 0.00 O ATOM 933 CB ARG A 69 15.616 3.070 4.447 1.00 0.00 C ATOM 934 CG ARG A 69 14.286 3.421 3.777 1.00 0.00 C ATOM 935 CD ARG A 69 14.445 4.614 2.831 1.00 0.00 C ATOM 936 NE ARG A 69 14.870 5.810 3.591 1.00 0.00 N ATOM 937 CZ ARG A 69 16.003 6.486 3.358 1.00 0.00 C ATOM 938 NH1 ARG A 69 17.048 5.866 2.790 1.00 0.00 N ATOM 939 NH2 ARG A 69 16.092 7.781 3.691 1.00 0.00 N ATOM 0 H ARG A 69 17.508 1.689 5.289 1.00 0.00 H new ATOM 0 HA ARG A 69 14.965 2.351 6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.022 3.952 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.340 2.768 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.916 2.559 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.541 3.653 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.181 4.382 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.502 4.813 2.322 1.00 0.00 H new ATOM 0 HE ARG A 69 14.262 6.141 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.980 4.881 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.911 6.380 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.297 8.253 4.122 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.955 8.295 3.513 1.00 0.00 H new ATOM 950 N THR A 70 13.286 0.870 5.282 1.00 0.00 N ATOM 951 CA THR A 70 12.274 0.049 4.639 1.00 0.00 C ATOM 952 C THR A 70 11.254 0.930 3.915 1.00 0.00 C ATOM 953 O THR A 70 11.165 2.128 4.179 1.00 0.00 O ATOM 954 CB THR A 70 11.650 -0.854 5.704 1.00 0.00 C ATOM 955 OG1 THR A 70 12.699 -1.056 6.647 1.00 0.00 O ATOM 956 CG2 THR A 70 11.347 -2.258 5.177 1.00 0.00 C ATOM 0 H THR A 70 12.945 1.436 6.059 1.00 0.00 H new ATOM 0 HA THR A 70 12.711 -0.587 3.870 1.00 0.00 H new ATOM 0 HB THR A 70 10.731 -0.398 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.379 -1.630 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.905 -2.858 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.648 -2.191 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.271 -2.727 4.839 1.00 0.00 H new ATOM 964 N TRP A 71 10.510 0.303 3.016 1.00 0.00 N ATOM 965 CA TRP A 71 9.434 0.991 2.324 1.00 0.00 C ATOM 966 C TRP A 71 8.130 0.246 2.617 1.00 0.00 C ATOM 967 O TRP A 71 8.127 -0.976 2.750 1.00 0.00 O ATOM 968 CB TRP A 71 9.731 1.109 0.827 1.00 0.00 C ATOM 969 CG TRP A 71 10.860 2.085 0.492 1.00 0.00 C ATOM 970 CD1 TRP A 71 12.157 1.811 0.294 1.00 0.00 C ATOM 971 CD2 TRP A 71 10.741 3.514 0.323 1.00 0.00 C ATOM 972 NE1 TRP A 71 12.879 2.952 0.011 1.00 0.00 N ATOM 973 CE2 TRP A 71 11.990 4.021 0.029 1.00 0.00 C ATOM 974 CE3 TRP A 71 9.614 4.349 0.415 1.00 0.00 C ATOM 975 CZ2 TRP A 71 12.231 5.381 -0.198 1.00 0.00 C ATOM 976 CZ3 TRP A 71 9.871 5.706 0.186 1.00 0.00 C ATOM 977 CH2 TRP A 71 11.123 6.232 -0.111 1.00 0.00 C ATOM 0 H TRP A 71 10.631 -0.674 2.751 1.00 0.00 H new ATOM 0 HA TRP A 71 9.338 2.016 2.684 1.00 0.00 H new ATOM 0 HB2 TRP A 71 9.990 0.124 0.440 1.00 0.00 H new ATOM 0 HB3 TRP A 71 8.825 1.427 0.311 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.584 0.820 0.349 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.880 3.002 -0.177 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.628 3.973 0.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.218 5.754 -0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.039 6.392 0.244 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.240 7.293 -0.274 1.00 0.00 H new ATOM 987 N ARG A 72 7.055 1.014 2.709 1.00 0.00 N ATOM 988 CA ARG A 72 5.721 0.437 2.708 1.00 0.00 C ATOM 989 C ARG A 72 4.906 0.985 1.535 1.00 0.00 C ATOM 990 O ARG A 72 5.296 1.969 0.911 1.00 0.00 O ATOM 991 CB ARG A 72 4.988 0.743 4.017 1.00 0.00 C ATOM 992 CG ARG A 72 5.734 0.151 5.214 1.00 0.00 C ATOM 993 CD ARG A 72 5.076 0.570 6.531 1.00 0.00 C ATOM 994 NE ARG A 72 5.807 -0.023 7.673 1.00 0.00 N ATOM 995 CZ ARG A 72 5.563 -1.244 8.168 1.00 0.00 C ATOM 996 NH1 ARG A 72 4.698 -2.058 7.549 1.00 0.00 N ATOM 997 NH2 ARG A 72 6.184 -1.651 9.283 1.00 0.00 N ATOM 0 H ARG A 72 7.080 2.031 2.785 1.00 0.00 H new ATOM 0 HA ARG A 72 5.827 -0.643 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.892 1.822 4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.978 0.336 3.976 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.745 -0.936 5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.772 0.482 5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.072 1.657 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.036 0.246 6.547 1.00 0.00 H new ATOM 0 HE ARG A 72 6.542 0.532 8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.225 -1.749 6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.513 -2.987 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.843 -1.031 9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.998 -2.580 9.660 1.00 0.00 H new ATOM 1008 N GLU A 73 3.790 0.322 1.271 1.00 0.00 N ATOM 1009 CA GLU A 73 2.889 0.764 0.220 1.00 0.00 C ATOM 1010 C GLU A 73 1.489 1.008 0.789 1.00 0.00 C ATOM 1011 O GLU A 73 1.205 0.639 1.928 1.00 0.00 O ATOM 1012 CB GLU A 73 2.845 -0.249 -0.926 1.00 0.00 C ATOM 1013 CG GLU A 73 2.415 -1.629 -0.423 1.00 0.00 C ATOM 1014 CD GLU A 73 2.030 -2.542 -1.589 1.00 0.00 C ATOM 1015 OE1 GLU A 73 1.141 -2.128 -2.364 1.00 0.00 O ATOM 1016 OE2 GLU A 73 2.633 -3.633 -1.678 1.00 0.00 O ATOM 0 H GLU A 73 3.489 -0.517 1.766 1.00 0.00 H new ATOM 0 HA GLU A 73 3.266 1.704 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.151 0.095 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.828 -0.318 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.227 -2.082 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.569 -1.525 0.257 1.00 0.00 H new ATOM 1021 N ALA A 74 0.652 1.628 -0.029 1.00 0.00 N ATOM 1022 CA ALA A 74 -0.749 1.795 0.318 1.00 0.00 C ATOM 1023 C ALA A 74 -1.556 2.068 -0.952 1.00 0.00 C ATOM 1024 O ALA A 74 -1.064 2.711 -1.879 1.00 0.00 O ATOM 1025 CB ALA A 74 -0.889 2.916 1.350 1.00 0.00 C ATOM 0 H ALA A 74 0.917 2.021 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.143 0.885 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.940 3.042 1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.321 2.660 2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.505 3.846 0.931 1.00 0.00 H new ATOM 1031 N ASP A 75 -2.782 1.566 -0.956 1.00 0.00 N ATOM 1032 CA ASP A 75 -3.634 1.678 -2.127 1.00 0.00 C ATOM 1033 C ASP A 75 -4.103 3.127 -2.274 1.00 0.00 C ATOM 1034 O ASP A 75 -4.615 3.717 -1.322 1.00 0.00 O ATOM 1035 CB ASP A 75 -4.872 0.790 -1.995 1.00 0.00 C ATOM 1036 CG ASP A 75 -4.602 -0.713 -2.078 1.00 0.00 C ATOM 1037 OD1 ASP A 75 -3.425 -1.066 -2.303 1.00 0.00 O ATOM 1038 OD2 ASP A 75 -5.580 -1.475 -1.914 1.00 0.00 O ATOM 0 H ASP A 75 -3.206 1.080 -0.166 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.056 1.362 -2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.355 1.005 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.580 1.060 -2.779 1.00 0.00 H new ATOM 1042 N ILE A 76 -3.913 3.660 -3.472 1.00 0.00 N ATOM 1043 CA ILE A 76 -4.481 4.953 -3.814 1.00 0.00 C ATOM 1044 C ILE A 76 -5.629 4.754 -4.805 1.00 0.00 C ATOM 1045 O ILE A 76 -5.575 3.865 -5.653 1.00 0.00 O ATOM 1046 CB ILE A 76 -3.390 5.899 -4.319 1.00 0.00 C ATOM 1047 CG1 ILE A 76 -2.279 6.060 -3.279 1.00 0.00 C ATOM 1048 CG2 ILE A 76 -3.983 7.247 -4.737 1.00 0.00 C ATOM 1049 CD1 ILE A 76 -2.856 6.452 -1.917 1.00 0.00 C ATOM 0 H ILE A 76 -3.374 3.220 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.902 5.431 -2.930 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.939 5.456 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.723 5.127 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.572 6.820 -3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.186 7.901 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.709 7.093 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.477 7.708 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.046 6.560 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.390 7.398 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.544 5.678 -1.577 1.00 0.00 H new ATOM 1060 N ASN A 77 -6.641 5.598 -4.666 1.00 0.00 N ATOM 1061 CA ASN A 77 -7.598 5.803 -5.740 1.00 0.00 C ATOM 1062 C ASN A 77 -8.422 4.530 -5.934 1.00 0.00 C ATOM 1063 O ASN A 77 -9.170 4.411 -6.903 1.00 0.00 O ATOM 1064 CB ASN A 77 -6.887 6.112 -7.060 1.00 0.00 C ATOM 1065 CG ASN A 77 -6.359 7.547 -7.075 1.00 0.00 C ATOM 1066 OD1 ASN A 77 -6.526 8.308 -6.135 1.00 0.00 O ATOM 1067 ND2 ASN A 77 -5.715 7.875 -8.192 1.00 0.00 N ATOM 0 H ASN A 77 -6.819 6.148 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.235 6.645 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.061 5.415 -7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.576 5.966 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.326 8.812 -8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.611 7.190 -8.940 1.00 0.00 H new ATOM 1073 N TYR A 78 -8.257 3.608 -4.997 1.00 0.00 N ATOM 1074 CA TYR A 78 -8.953 2.333 -5.069 1.00 0.00 C ATOM 1075 C TYR A 78 -10.428 2.493 -4.697 1.00 0.00 C ATOM 1076 O TYR A 78 -10.760 3.215 -3.758 1.00 0.00 O ATOM 1077 CB TYR A 78 -8.275 1.424 -4.043 1.00 0.00 C ATOM 1078 CG TYR A 78 -8.928 0.047 -3.904 1.00 0.00 C ATOM 1079 CD1 TYR A 78 -9.950 -0.143 -2.996 1.00 0.00 C ATOM 1080 CD2 TYR A 78 -8.495 -1.003 -4.688 1.00 0.00 C ATOM 1081 CE1 TYR A 78 -10.564 -1.440 -2.866 1.00 0.00 C ATOM 1082 CE2 TYR A 78 -9.109 -2.299 -4.557 1.00 0.00 C ATOM 1083 CZ TYR A 78 -10.114 -2.454 -3.653 1.00 0.00 C ATOM 1084 OH TYR A 78 -10.694 -3.677 -3.530 1.00 0.00 O ATOM 0 H TYR A 78 -7.652 3.718 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.909 1.927 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.230 1.293 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.284 1.919 -3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.289 0.680 -2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.696 -0.853 -5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.364 -1.603 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.779 -3.130 -5.163 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.491 -4.217 -4.322 1.00 0.00 H new ATOM 1093 N THR A 79 -11.274 1.806 -5.451 1.00 0.00 N ATOM 1094 CA THR A 79 -12.683 1.722 -5.109 1.00 0.00 C ATOM 1095 C THR A 79 -13.051 0.291 -4.711 1.00 0.00 C ATOM 1096 O THR A 79 -13.265 0.006 -3.534 1.00 0.00 O ATOM 1097 CB THR A 79 -13.491 2.249 -6.297 1.00 0.00 C ATOM 1098 OG1 THR A 79 -13.114 1.398 -7.377 1.00 0.00 O ATOM 1099 CG2 THR A 79 -13.037 3.640 -6.743 1.00 0.00 C ATOM 0 H THR A 79 -11.010 1.302 -6.298 1.00 0.00 H new ATOM 0 HA THR A 79 -12.916 2.338 -4.240 1.00 0.00 H new ATOM 0 HB THR A 79 -14.548 2.280 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.593 1.668 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.643 3.967 -7.588 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.155 4.343 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.989 3.603 -7.040 1.00 0.00 H new ATOM 1107 N SER A 80 -13.113 -0.571 -5.716 1.00 0.00 N ATOM 1108 CA SER A 80 -13.414 -1.973 -5.481 1.00 0.00 C ATOM 1109 C SER A 80 -12.726 -2.839 -6.536 1.00 0.00 C ATOM 1110 O SER A 80 -12.317 -2.341 -7.584 1.00 0.00 O ATOM 1111 CB SER A 80 -14.924 -2.222 -5.492 1.00 0.00 C ATOM 1112 OG SER A 80 -15.529 -1.774 -6.702 1.00 0.00 O ATOM 0 H SER A 80 -12.960 -0.325 -6.694 1.00 0.00 H new ATOM 0 HA SER A 80 -13.036 -2.243 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.117 -3.287 -5.363 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.382 -1.710 -4.646 1.00 0.00 H new ATOM 0 HG SER A 80 -16.492 -1.952 -6.671 1.00 0.00 H new ATOM 1117 N GLY A 81 -12.618 -4.123 -6.224 1.00 0.00 N ATOM 1118 CA GLY A 81 -12.087 -5.083 -7.177 1.00 0.00 C ATOM 1119 C GLY A 81 -10.642 -5.452 -6.837 1.00 0.00 C ATOM 1120 O GLY A 81 -10.275 -5.522 -5.664 1.00 0.00 O ATOM 0 H GLY A 81 -12.889 -4.520 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.705 -5.981 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.132 -4.665 -8.183 1.00 0.00 H new ATOM 1124 N PHE A 82 -9.860 -5.676 -7.882 1.00 0.00 N ATOM 1125 CA PHE A 82 -8.485 -6.114 -7.709 1.00 0.00 C ATOM 1126 C PHE A 82 -7.577 -4.938 -7.345 1.00 0.00 C ATOM 1127 O PHE A 82 -7.984 -3.781 -7.441 1.00 0.00 O ATOM 1128 CB PHE A 82 -8.030 -6.698 -9.048 1.00 0.00 C ATOM 1129 CG PHE A 82 -8.576 -8.099 -9.333 1.00 0.00 C ATOM 1130 CD1 PHE A 82 -9.858 -8.256 -9.758 1.00 0.00 C ATOM 1131 CD2 PHE A 82 -7.778 -9.187 -9.161 1.00 0.00 C ATOM 1132 CE1 PHE A 82 -10.365 -9.555 -10.023 1.00 0.00 C ATOM 1133 CE2 PHE A 82 -8.285 -10.487 -9.425 1.00 0.00 C ATOM 1134 CZ PHE A 82 -9.567 -10.644 -9.851 1.00 0.00 C ATOM 0 H PHE A 82 -10.152 -5.562 -8.853 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.426 -6.847 -6.904 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.341 -6.028 -9.850 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.941 -6.733 -9.066 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.491 -7.392 -9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.760 -9.062 -8.824 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.383 -9.679 -10.361 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.652 -11.351 -9.287 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.952 -11.633 -10.053 1.00 0.00 H new ATOM 1143 N ARG A 83 -6.363 -5.273 -6.935 1.00 0.00 N ATOM 1144 CA ARG A 83 -5.386 -4.259 -6.578 1.00 0.00 C ATOM 1145 C ARG A 83 -4.810 -3.610 -7.838 1.00 0.00 C ATOM 1146 O ARG A 83 -4.698 -4.258 -8.878 1.00 0.00 O ATOM 1147 CB ARG A 83 -4.244 -4.860 -5.755 1.00 0.00 C ATOM 1148 CG ARG A 83 -4.714 -5.215 -4.343 1.00 0.00 C ATOM 1149 CD ARG A 83 -3.984 -6.453 -3.817 1.00 0.00 C ATOM 1150 NE ARG A 83 -2.520 -6.259 -3.920 1.00 0.00 N ATOM 1151 CZ ARG A 83 -1.635 -7.260 -4.014 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -2.032 -8.526 -3.825 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -0.353 -6.996 -4.298 1.00 0.00 N ATOM 0 H ARG A 83 -6.033 -6.234 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.895 -3.505 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.864 -5.753 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.418 -4.151 -5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.537 -4.373 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.789 -5.397 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.263 -6.636 -2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.284 -7.332 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.163 -5.304 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.008 -8.728 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.358 -9.288 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.051 -6.033 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.321 -7.758 -4.370 1.00 0.00 H new ATOM 1164 N ASN A 84 -4.460 -2.339 -7.704 1.00 0.00 N ATOM 1165 CA ASN A 84 -4.430 -1.446 -8.849 1.00 0.00 C ATOM 1166 C ASN A 84 -2.982 -1.049 -9.142 1.00 0.00 C ATOM 1167 O ASN A 84 -2.050 -1.737 -8.728 1.00 0.00 O ATOM 1168 CB ASN A 84 -5.225 -0.168 -8.573 1.00 0.00 C ATOM 1169 CG ASN A 84 -4.548 0.674 -7.488 1.00 0.00 C ATOM 1170 OD1 ASN A 84 -3.619 0.246 -6.823 1.00 0.00 O ATOM 1171 ND2 ASN A 84 -5.065 1.891 -7.347 1.00 0.00 N ATOM 0 H ASN A 84 -4.195 -1.907 -6.819 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.873 -1.969 -9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.313 0.415 -9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.237 -0.425 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.684 2.529 -6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.843 2.186 -7.937 1.00 0.00 H new ATOM 1177 N SER A 85 -2.838 0.058 -9.854 1.00 0.00 N ATOM 1178 CA SER A 85 -1.520 0.557 -10.205 1.00 0.00 C ATOM 1179 C SER A 85 -1.159 1.754 -9.321 1.00 0.00 C ATOM 1180 O SER A 85 -0.025 1.872 -8.862 1.00 0.00 O ATOM 1181 CB SER A 85 -1.454 0.951 -11.682 1.00 0.00 C ATOM 1182 OG SER A 85 -2.634 1.626 -12.108 1.00 0.00 O ATOM 0 H SER A 85 -3.613 0.624 -10.198 1.00 0.00 H new ATOM 0 HA SER A 85 -0.798 -0.242 -10.037 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.589 1.594 -11.847 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.308 0.058 -12.289 1.00 0.00 H new ATOM 0 HG SER A 85 -2.552 1.862 -13.056 1.00 0.00 H new ATOM 1187 N ASP A 86 -2.148 2.609 -9.108 1.00 0.00 N ATOM 1188 CA ASP A 86 -1.948 3.794 -8.292 1.00 0.00 C ATOM 1189 C ASP A 86 -1.639 3.373 -6.854 1.00 0.00 C ATOM 1190 O ASP A 86 -2.469 2.747 -6.196 1.00 0.00 O ATOM 1191 CB ASP A 86 -3.206 4.666 -8.269 1.00 0.00 C ATOM 1192 CG ASP A 86 -3.858 4.896 -9.634 1.00 0.00 C ATOM 1193 OD1 ASP A 86 -3.163 4.649 -10.644 1.00 0.00 O ATOM 1194 OD2 ASP A 86 -5.036 5.314 -9.637 1.00 0.00 O ATOM 0 H ASP A 86 -3.090 2.505 -9.486 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.122 4.362 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.938 4.204 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.951 5.634 -7.837 1.00 0.00 H new ATOM 1198 N ARG A 87 -0.444 3.732 -6.410 1.00 0.00 N ATOM 1199 CA ARG A 87 0.018 3.326 -5.093 1.00 0.00 C ATOM 1200 C ARG A 87 0.889 4.422 -4.475 1.00 0.00 C ATOM 1201 O ARG A 87 1.757 4.980 -5.144 1.00 0.00 O ATOM 1202 CB ARG A 87 0.821 2.027 -5.166 1.00 0.00 C ATOM 1203 CG ARG A 87 -0.061 0.862 -5.619 1.00 0.00 C ATOM 1204 CD ARG A 87 -0.962 0.381 -4.479 1.00 0.00 C ATOM 1205 NE ARG A 87 -0.659 -1.031 -4.155 1.00 0.00 N ATOM 1206 CZ ARG A 87 -0.875 -2.057 -4.990 1.00 0.00 C ATOM 1207 NH1 ARG A 87 -1.598 -1.872 -6.104 1.00 0.00 N ATOM 1208 NH2 ARG A 87 -0.372 -3.266 -4.711 1.00 0.00 N ATOM 0 H ARG A 87 0.219 4.300 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.861 3.161 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.654 2.148 -5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.250 1.805 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.674 1.173 -6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.566 0.039 -5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.812 1.005 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.009 0.480 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.261 -1.236 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.983 -0.951 -6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.763 -2.652 -6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.176 -3.407 -3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.537 -4.046 -5.347 1.00 0.00 H new ATOM 1219 N ILE A 88 0.625 4.699 -3.207 1.00 0.00 N ATOM 1220 CA ILE A 88 1.464 5.611 -2.449 1.00 0.00 C ATOM 1221 C ILE A 88 2.568 4.817 -1.747 1.00 0.00 C ATOM 1222 O ILE A 88 2.294 3.814 -1.090 1.00 0.00 O ATOM 1223 CB ILE A 88 0.616 6.457 -1.498 1.00 0.00 C ATOM 1224 CG1 ILE A 88 1.455 7.555 -0.843 1.00 0.00 C ATOM 1225 CG2 ILE A 88 -0.088 5.578 -0.462 1.00 0.00 C ATOM 1226 CD1 ILE A 88 1.971 7.108 0.527 1.00 0.00 C ATOM 0 H ILE A 88 -0.159 4.307 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 88 1.954 6.320 -3.116 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.160 6.951 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.297 7.808 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.855 8.459 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.684 6.204 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.738 4.866 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.656 5.036 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.564 7.907 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.126 6.879 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.590 6.219 0.410 1.00 0.00 H new ATOM 1237 N LEU A 89 3.793 5.297 -1.910 1.00 0.00 N ATOM 1238 CA LEU A 89 4.908 4.779 -1.135 1.00 0.00 C ATOM 1239 C LEU A 89 5.245 5.762 -0.012 1.00 0.00 C ATOM 1240 O LEU A 89 5.234 6.975 -0.220 1.00 0.00 O ATOM 1241 CB LEU A 89 6.093 4.461 -2.050 1.00 0.00 C ATOM 1242 CG LEU A 89 5.927 3.246 -2.965 1.00 0.00 C ATOM 1243 CD1 LEU A 89 5.985 1.943 -2.163 1.00 0.00 C ATOM 1244 CD2 LEU A 89 4.644 3.354 -3.791 1.00 0.00 C ATOM 0 H LEU A 89 4.037 6.038 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 89 4.637 3.835 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.291 5.334 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.975 4.305 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 89 6.761 3.229 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.864 1.095 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.947 1.870 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.184 1.935 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.550 2.478 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.785 3.408 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.682 4.253 -4.407 1.00 0.00 H new ATOM 1255 N TYR A 90 5.535 5.203 1.154 1.00 0.00 N ATOM 1256 CA TYR A 90 6.134 5.978 2.226 1.00 0.00 C ATOM 1257 C TYR A 90 7.061 5.108 3.079 1.00 0.00 C ATOM 1258 O TYR A 90 6.697 3.997 3.462 1.00 0.00 O ATOM 1259 CB TYR A 90 4.972 6.466 3.093 1.00 0.00 C ATOM 1260 CG TYR A 90 4.310 5.365 3.924 1.00 0.00 C ATOM 1261 CD1 TYR A 90 3.307 4.593 3.372 1.00 0.00 C ATOM 1262 CD2 TYR A 90 4.714 5.144 5.225 1.00 0.00 C ATOM 1263 CE1 TYR A 90 2.684 3.557 4.154 1.00 0.00 C ATOM 1264 CE2 TYR A 90 4.091 4.108 6.007 1.00 0.00 C ATOM 1265 CZ TYR A 90 3.106 3.366 5.433 1.00 0.00 C ATOM 1266 OH TYR A 90 2.517 2.387 6.170 1.00 0.00 O ATOM 0 H TYR A 90 5.366 4.223 1.379 1.00 0.00 H new ATOM 0 HA TYR A 90 6.728 6.798 1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.335 7.245 3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.220 6.924 2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.990 4.766 2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.498 5.749 5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.899 2.945 3.734 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.399 3.924 7.026 1.00 0.00 H new ATOM 0 HH TYR A 90 2.919 2.364 7.064 1.00 0.00 H new ATOM 1275 N SER A 91 8.240 5.648 3.352 1.00 0.00 N ATOM 1276 CA SER A 91 9.230 4.925 4.131 1.00 0.00 C ATOM 1277 C SER A 91 9.018 5.190 5.623 1.00 0.00 C ATOM 1278 O SER A 91 8.150 5.977 6.000 1.00 0.00 O ATOM 1279 CB SER A 91 10.650 5.320 3.720 1.00 0.00 C ATOM 1280 OG SER A 91 10.886 6.716 3.888 1.00 0.00 O ATOM 0 H SER A 91 8.531 6.577 3.048 1.00 0.00 H new ATOM 0 HA SER A 91 9.106 3.860 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.369 4.757 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.815 5.047 2.678 1.00 0.00 H new ATOM 0 HG SER A 91 11.768 6.852 4.294 1.00 0.00 H new ATOM 1285 N SER A 92 9.823 4.518 6.433 1.00 0.00 N ATOM 1286 CA SER A 92 9.751 4.691 7.873 1.00 0.00 C ATOM 1287 C SER A 92 10.185 6.108 8.253 1.00 0.00 C ATOM 1288 O SER A 92 9.625 6.707 9.170 1.00 0.00 O ATOM 1289 CB SER A 92 10.619 3.659 8.596 1.00 0.00 C ATOM 1290 OG SER A 92 11.824 3.384 7.886 1.00 0.00 O ATOM 0 H SER A 92 10.529 3.852 6.118 1.00 0.00 H new ATOM 0 HA SER A 92 8.717 4.539 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.861 4.024 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.054 2.735 8.723 1.00 0.00 H new ATOM 0 HG SER A 92 12.351 2.722 8.380 1.00 0.00 H new ATOM 1295 N ASP A 93 11.177 6.603 7.529 1.00 0.00 N ATOM 1296 CA ASP A 93 11.757 7.899 7.840 1.00 0.00 C ATOM 1297 C ASP A 93 10.938 8.996 7.157 1.00 0.00 C ATOM 1298 O ASP A 93 11.207 10.181 7.342 1.00 0.00 O ATOM 1299 CB ASP A 93 13.196 7.995 7.328 1.00 0.00 C ATOM 1300 CG ASP A 93 13.335 8.432 5.868 1.00 0.00 C ATOM 1301 OD1 ASP A 93 13.271 7.535 5.000 1.00 0.00 O ATOM 1302 OD2 ASP A 93 13.502 9.651 5.654 1.00 0.00 O ATOM 0 H ASP A 93 11.595 6.130 6.727 1.00 0.00 H new ATOM 0 HA ASP A 93 11.751 8.021 8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.743 8.698 7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 93 13.674 7.023 7.448 1.00 0.00 H new ATOM 1306 N TRP A 94 9.955 8.562 6.384 1.00 0.00 N ATOM 1307 CA TRP A 94 8.944 9.473 5.875 1.00 0.00 C ATOM 1308 C TRP A 94 9.570 10.289 4.742 1.00 0.00 C ATOM 1309 O TRP A 94 9.492 11.517 4.739 1.00 0.00 O ATOM 1310 CB TRP A 94 8.376 10.345 6.997 1.00 0.00 C ATOM 1311 CG TRP A 94 7.857 9.553 8.198 1.00 0.00 C ATOM 1312 CD1 TRP A 94 8.371 9.496 9.434 1.00 0.00 C ATOM 1313 CD2 TRP A 94 6.691 8.702 8.228 1.00 0.00 C ATOM 1314 NE1 TRP A 94 7.626 8.673 10.254 1.00 0.00 N ATOM 1315 CE2 TRP A 94 6.572 8.176 9.497 1.00 0.00 C ATOM 1316 CE3 TRP A 94 5.768 8.387 7.213 1.00 0.00 C ATOM 1317 CZ2 TRP A 94 5.542 7.304 9.871 1.00 0.00 C ATOM 1318 CZ3 TRP A 94 4.746 7.515 7.604 1.00 0.00 C ATOM 1319 CH2 TRP A 94 4.611 6.976 8.878 1.00 0.00 C ATOM 0 H TRP A 94 9.836 7.590 6.097 1.00 0.00 H new ATOM 0 HA TRP A 94 8.093 8.921 5.477 1.00 0.00 H new ATOM 0 HB2 TRP A 94 9.150 11.033 7.336 1.00 0.00 H new ATOM 0 HB3 TRP A 94 7.564 10.951 6.596 1.00 0.00 H new ATOM 0 HD1 TRP A 94 9.257 10.027 9.749 1.00 0.00 H new ATOM 0 HE1 TRP A 94 7.814 8.467 11.235 1.00 0.00 H new ATOM 0 HE3 TRP A 94 5.843 8.786 6.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 5.470 6.906 10.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 4.010 7.241 6.863 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.792 6.308 9.101 1.00 0.00 H new ATOM 1329 N LEU A 95 10.179 9.574 3.807 1.00 0.00 N ATOM 1330 CA LEU A 95 10.086 9.942 2.404 1.00 0.00 C ATOM 1331 C LEU A 95 8.763 9.429 1.834 1.00 0.00 C ATOM 1332 O LEU A 95 8.280 8.370 2.231 1.00 0.00 O ATOM 1333 CB LEU A 95 11.318 9.453 1.640 1.00 0.00 C ATOM 1334 CG LEU A 95 12.639 10.144 1.985 1.00 0.00 C ATOM 1335 CD1 LEU A 95 13.831 9.329 1.479 1.00 0.00 C ATOM 1336 CD2 LEU A 95 12.661 11.580 1.457 1.00 0.00 C ATOM 0 H LEU A 95 10.739 8.742 3.993 1.00 0.00 H new ATOM 0 HA LEU A 95 10.081 11.026 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 95 11.432 8.384 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.133 9.578 0.573 1.00 0.00 H new ATOM 0 HG LEU A 95 12.723 10.199 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.758 9.841 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.821 8.343 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.765 9.221 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 95 13.611 12.048 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.544 11.571 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.844 12.145 1.905 1.00 0.00 H new ATOM 1347 N ILE A 96 8.214 10.203 0.910 1.00 0.00 N ATOM 1348 CA ILE A 96 7.011 9.791 0.206 1.00 0.00 C ATOM 1349 C ILE A 96 7.221 9.966 -1.299 1.00 0.00 C ATOM 1350 O ILE A 96 7.717 11.000 -1.745 1.00 0.00 O ATOM 1351 CB ILE A 96 5.791 10.539 0.748 1.00 0.00 C ATOM 1352 CG1 ILE A 96 5.674 10.370 2.264 1.00 0.00 C ATOM 1353 CG2 ILE A 96 4.516 10.105 0.023 1.00 0.00 C ATOM 1354 CD1 ILE A 96 4.261 10.704 2.746 1.00 0.00 C ATOM 0 H ILE A 96 8.580 11.114 0.632 1.00 0.00 H new ATOM 0 HA ILE A 96 6.811 8.734 0.379 1.00 0.00 H new ATOM 0 HB ILE A 96 5.927 11.603 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.923 9.345 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.395 11.018 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.664 10.651 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.612 10.318 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.362 9.035 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.205 10.576 3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.024 11.737 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.545 10.038 2.264 1.00 0.00 H new ATOM 1365 N TYR A 97 6.832 8.940 -2.042 1.00 0.00 N ATOM 1366 CA TYR A 97 6.630 9.086 -3.473 1.00 0.00 C ATOM 1367 C TYR A 97 5.237 8.603 -3.883 1.00 0.00 C ATOM 1368 O TYR A 97 4.486 8.089 -3.055 1.00 0.00 O ATOM 1369 CB TYR A 97 7.681 8.195 -4.140 1.00 0.00 C ATOM 1370 CG TYR A 97 9.103 8.760 -4.079 1.00 0.00 C ATOM 1371 CD1 TYR A 97 9.802 8.741 -2.890 1.00 0.00 C ATOM 1372 CD2 TYR A 97 9.684 9.287 -5.214 1.00 0.00 C ATOM 1373 CE1 TYR A 97 11.139 9.272 -2.833 1.00 0.00 C ATOM 1374 CE2 TYR A 97 11.022 9.818 -5.157 1.00 0.00 C ATOM 1375 CZ TYR A 97 11.684 9.783 -3.970 1.00 0.00 C ATOM 1376 OH TYR A 97 12.947 10.285 -3.916 1.00 0.00 O ATOM 0 H TYR A 97 6.651 8.004 -1.679 1.00 0.00 H new ATOM 0 HA TYR A 97 6.719 10.132 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.669 7.216 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.405 8.044 -5.184 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.347 8.328 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.136 9.301 -6.145 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.697 9.265 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.489 10.235 -6.037 1.00 0.00 H new ATOM 0 HH TYR A 97 13.206 10.614 -4.802 1.00 0.00 H new ATOM 1385 N LYS A 98 4.935 8.784 -5.161 1.00 0.00 N ATOM 1386 CA LYS A 98 3.759 8.164 -5.747 1.00 0.00 C ATOM 1387 C LYS A 98 4.183 7.304 -6.940 1.00 0.00 C ATOM 1388 O LYS A 98 5.322 7.389 -7.397 1.00 0.00 O ATOM 1389 CB LYS A 98 2.710 9.222 -6.094 1.00 0.00 C ATOM 1390 CG LYS A 98 3.241 10.193 -7.150 1.00 0.00 C ATOM 1391 CD LYS A 98 2.102 11.011 -7.763 1.00 0.00 C ATOM 1392 CE LYS A 98 2.619 11.912 -8.888 1.00 0.00 C ATOM 1393 NZ LYS A 98 3.322 13.087 -8.330 1.00 0.00 N ATOM 0 H LYS A 98 5.485 9.351 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 98 3.281 7.500 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.806 8.736 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.432 9.773 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.973 10.863 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.758 9.638 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.336 10.340 -8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.631 11.620 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.295 11.349 -9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.786 12.241 -9.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.666 13.687 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.667 13.633 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.128 12.769 -7.756 1.00 0.00 H new ATOM 1403 N THR A 99 3.244 6.496 -7.410 1.00 0.00 N ATOM 1404 CA THR A 99 3.382 5.867 -8.713 1.00 0.00 C ATOM 1405 C THR A 99 2.007 5.496 -9.273 1.00 0.00 C ATOM 1406 O THR A 99 1.155 4.982 -8.549 1.00 0.00 O ATOM 1407 CB THR A 99 4.321 4.669 -8.563 1.00 0.00 C ATOM 1408 OG1 THR A 99 4.108 3.910 -9.751 1.00 0.00 O ATOM 1409 CG2 THR A 99 3.893 3.726 -7.437 1.00 0.00 C ATOM 0 H THR A 99 2.385 6.262 -6.912 1.00 0.00 H new ATOM 0 HA THR A 99 3.820 6.552 -9.439 1.00 0.00 H new ATOM 0 HB THR A 99 5.334 5.024 -8.373 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.707 4.232 -10.457 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.593 2.893 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.887 4.268 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.893 3.344 -7.643 1.00 0.00 H new ATOM 1417 N THR A 100 1.833 5.771 -10.557 1.00 0.00 N ATOM 1418 CA THR A 100 0.527 5.639 -11.181 1.00 0.00 C ATOM 1419 C THR A 100 0.591 4.649 -12.345 1.00 0.00 C ATOM 1420 O THR A 100 -0.254 4.683 -13.240 1.00 0.00 O ATOM 1421 CB THR A 100 0.057 7.034 -11.595 1.00 0.00 C ATOM 1422 OG1 THR A 100 1.191 7.604 -12.244 1.00 0.00 O ATOM 1423 CG2 THR A 100 -0.183 7.952 -10.394 1.00 0.00 C ATOM 0 H THR A 100 2.575 6.085 -11.183 1.00 0.00 H new ATOM 0 HA THR A 100 -0.204 5.228 -10.485 1.00 0.00 H new ATOM 0 HB THR A 100 -0.861 6.949 -12.177 1.00 0.00 H new ATOM 0 HG1 THR A 100 0.973 8.510 -12.547 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.515 8.929 -10.744 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.948 7.517 -9.751 1.00 0.00 H new ATOM 0 HG23 THR A 100 0.743 8.064 -9.831 1.00 0.00 H new ATOM 1431 N ASP A 101 1.598 3.790 -12.296 1.00 0.00 N ATOM 1432 CA ASP A 101 1.911 2.938 -13.431 1.00 0.00 C ATOM 1433 C ASP A 101 2.587 1.660 -12.932 1.00 0.00 C ATOM 1434 O ASP A 101 3.472 1.121 -13.596 1.00 0.00 O ATOM 1435 CB ASP A 101 2.873 3.637 -14.394 1.00 0.00 C ATOM 1436 CG ASP A 101 3.978 4.455 -13.723 1.00 0.00 C ATOM 1437 OD1 ASP A 101 4.639 3.890 -12.825 1.00 0.00 O ATOM 1438 OD2 ASP A 101 4.138 5.629 -14.124 1.00 0.00 O ATOM 0 H ASP A 101 2.208 3.665 -11.488 1.00 0.00 H new ATOM 0 HA ASP A 101 0.980 2.712 -13.951 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.336 2.884 -15.032 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.298 4.296 -15.044 1.00 0.00 H new ATOM 1442 N HIS A 102 2.144 1.210 -11.767 1.00 0.00 N ATOM 1443 CA HIS A 102 2.560 -0.085 -11.259 1.00 0.00 C ATOM 1444 C HIS A 102 4.079 -0.101 -11.074 1.00 0.00 C ATOM 1445 O HIS A 102 4.773 -0.917 -11.679 1.00 0.00 O ATOM 1446 CB HIS A 102 2.062 -1.211 -12.166 1.00 0.00 C ATOM 1447 CG HIS A 102 2.151 -2.586 -11.545 1.00 0.00 C ATOM 1448 ND1 HIS A 102 3.310 -3.341 -11.563 1.00 0.00 N ATOM 1449 CD2 HIS A 102 1.216 -3.330 -10.889 1.00 0.00 C ATOM 1450 CE1 HIS A 102 3.071 -4.488 -10.944 1.00 0.00 C ATOM 1451 NE2 HIS A 102 1.772 -4.479 -10.528 1.00 0.00 N ATOM 0 H HIS A 102 1.501 1.720 -11.161 1.00 0.00 H new ATOM 0 HA HIS A 102 2.108 -0.257 -10.282 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.025 -1.013 -12.438 1.00 0.00 H new ATOM 0 HB3 HIS A 102 2.641 -1.203 -13.090 1.00 0.00 H new ATOM 0 HD1 HIS A 102 4.197 -3.062 -11.981 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.195 -3.034 -10.696 1.00 0.00 H new ATOM 0 HE1 HIS A 102 3.780 -5.289 -10.795 1.00 0.00 H new ATOM 1458 N TYR A 103 4.552 0.811 -10.237 1.00 0.00 N ATOM 1459 CA TYR A 103 5.896 0.705 -9.695 1.00 0.00 C ATOM 1460 C TYR A 103 6.940 0.720 -10.813 1.00 0.00 C ATOM 1461 O TYR A 103 8.044 0.206 -10.644 1.00 0.00 O ATOM 1462 CB TYR A 103 5.956 -0.643 -8.976 1.00 0.00 C ATOM 1463 CG TYR A 103 4.945 -0.786 -7.836 1.00 0.00 C ATOM 1464 CD1 TYR A 103 5.180 -0.168 -6.625 1.00 0.00 C ATOM 1465 CD2 TYR A 103 3.798 -1.532 -8.019 1.00 0.00 C ATOM 1466 CE1 TYR A 103 4.229 -0.302 -5.552 1.00 0.00 C ATOM 1467 CE2 TYR A 103 2.847 -1.666 -6.946 1.00 0.00 C ATOM 1468 CZ TYR A 103 3.109 -1.045 -5.765 1.00 0.00 C ATOM 1469 OH TYR A 103 2.211 -1.171 -4.753 1.00 0.00 O ATOM 0 H TYR A 103 4.028 1.627 -9.921 1.00 0.00 H new ATOM 0 HA TYR A 103 6.109 1.543 -9.031 1.00 0.00 H new ATOM 0 HB2 TYR A 103 5.785 -1.438 -9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 103 6.960 -0.786 -8.577 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.077 0.416 -6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.614 -2.015 -8.967 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.401 0.177 -4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.946 -2.247 -7.076 1.00 0.00 H new ATOM 0 HH TYR A 103 2.468 -1.922 -4.179 1.00 0.00 H new ATOM 1478 N GLN A 104 6.554 1.314 -11.933 1.00 0.00 N ATOM 1479 CA GLN A 104 7.483 1.516 -13.032 1.00 0.00 C ATOM 1480 C GLN A 104 8.275 2.808 -12.829 1.00 0.00 C ATOM 1481 O GLN A 104 9.501 2.811 -12.931 1.00 0.00 O ATOM 1482 CB GLN A 104 6.748 1.529 -14.375 1.00 0.00 C ATOM 1483 CG GLN A 104 6.174 0.147 -14.699 1.00 0.00 C ATOM 1484 CD GLN A 104 5.655 0.094 -16.138 1.00 0.00 C ATOM 1485 OE1 GLN A 104 6.380 -0.192 -17.076 1.00 0.00 O ATOM 1486 NE2 GLN A 104 4.363 0.385 -16.258 1.00 0.00 N ATOM 0 H GLN A 104 5.610 1.662 -12.103 1.00 0.00 H new ATOM 0 HA GLN A 104 8.185 0.682 -13.046 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.943 2.263 -14.346 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.432 1.837 -15.165 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.943 -0.613 -14.557 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.364 -0.086 -14.007 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.813 0.616 -15.430 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.922 0.377 -17.178 1.00 0.00 H new ATOM 1493 N THR A 105 7.543 3.875 -12.543 1.00 0.00 N ATOM 1494 CA THR A 105 8.166 5.161 -12.282 1.00 0.00 C ATOM 1495 C THR A 105 7.518 5.831 -11.069 1.00 0.00 C ATOM 1496 O THR A 105 6.331 5.639 -10.809 1.00 0.00 O ATOM 1497 CB THR A 105 8.075 6.000 -13.559 1.00 0.00 C ATOM 1498 OG1 THR A 105 6.700 5.919 -13.928 1.00 0.00 O ATOM 1499 CG2 THR A 105 8.814 5.357 -14.734 1.00 0.00 C ATOM 0 H THR A 105 6.525 3.875 -12.486 1.00 0.00 H new ATOM 0 HA THR A 105 9.219 5.045 -12.027 1.00 0.00 H new ATOM 0 HB THR A 105 8.484 6.993 -13.372 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.550 6.437 -14.747 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.719 5.992 -15.615 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.868 5.242 -14.482 1.00 0.00 H new ATOM 0 HG23 THR A 105 8.382 4.378 -14.944 1.00 0.00 H new ATOM 1507 N PHE A 106 8.325 6.604 -10.357 1.00 0.00 N ATOM 1508 CA PHE A 106 7.851 7.287 -9.166 1.00 0.00 C ATOM 1509 C PHE A 106 8.179 8.780 -9.223 1.00 0.00 C ATOM 1510 O PHE A 106 9.088 9.192 -9.942 1.00 0.00 O ATOM 1511 CB PHE A 106 8.576 6.663 -7.973 1.00 0.00 C ATOM 1512 CG PHE A 106 8.386 5.149 -7.852 1.00 0.00 C ATOM 1513 CD1 PHE A 106 9.006 4.314 -8.729 1.00 0.00 C ATOM 1514 CD2 PHE A 106 7.599 4.639 -6.867 1.00 0.00 C ATOM 1515 CE1 PHE A 106 8.829 2.910 -8.617 1.00 0.00 C ATOM 1516 CE2 PHE A 106 7.424 3.235 -6.755 1.00 0.00 C ATOM 1517 CZ PHE A 106 8.042 2.399 -7.632 1.00 0.00 C ATOM 0 H PHE A 106 9.305 6.772 -10.583 1.00 0.00 H new ATOM 0 HA PHE A 106 6.769 7.183 -9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 106 9.641 6.880 -8.054 1.00 0.00 H new ATOM 0 HB3 PHE A 106 8.223 7.138 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 106 9.632 4.719 -9.510 1.00 0.00 H new ATOM 0 HD2 PHE A 106 7.107 5.302 -6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 106 9.319 2.247 -9.314 1.00 0.00 H new ATOM 0 HE2 PHE A 106 6.799 2.830 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 106 7.908 1.331 -7.547 1.00 0.00 H new ATOM 1526 N THR A 107 7.421 9.550 -8.456 1.00 0.00 N ATOM 1527 CA THR A 107 7.667 10.979 -8.355 1.00 0.00 C ATOM 1528 C THR A 107 7.551 11.437 -6.899 1.00 0.00 C ATOM 1529 O THR A 107 6.632 11.034 -6.188 1.00 0.00 O ATOM 1530 CB THR A 107 6.695 11.694 -9.296 1.00 0.00 C ATOM 1531 OG1 THR A 107 7.134 11.318 -10.598 1.00 0.00 O ATOM 1532 CG2 THR A 107 6.867 13.214 -9.270 1.00 0.00 C ATOM 0 H THR A 107 6.636 9.212 -7.899 1.00 0.00 H new ATOM 0 HA THR A 107 8.682 11.229 -8.663 1.00 0.00 H new ATOM 0 HB THR A 107 5.671 11.440 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.558 11.736 -11.271 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.154 13.673 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.689 13.583 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.881 13.471 -9.577 1.00 0.00 H new ATOM 1540 N LYS A 108 8.497 12.274 -6.500 1.00 0.00 N ATOM 1541 CA LYS A 108 8.536 12.762 -5.132 1.00 0.00 C ATOM 1542 C LYS A 108 7.416 13.784 -4.926 1.00 0.00 C ATOM 1543 O LYS A 108 7.246 14.694 -5.737 1.00 0.00 O ATOM 1544 CB LYS A 108 9.928 13.299 -4.793 1.00 0.00 C ATOM 1545 CG LYS A 108 10.011 13.725 -3.326 1.00 0.00 C ATOM 1546 CD LYS A 108 11.369 14.355 -3.013 1.00 0.00 C ATOM 1547 CE LYS A 108 12.451 13.283 -2.870 1.00 0.00 C ATOM 1548 NZ LYS A 108 13.699 13.875 -2.338 1.00 0.00 N ATOM 0 H LYS A 108 9.243 12.627 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 108 8.356 11.946 -4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.676 12.533 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.160 14.148 -5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.216 14.438 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.851 12.860 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.643 15.050 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.302 14.934 -2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.103 12.493 -2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.644 12.821 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.423 13.134 -2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.038 14.613 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.514 14.295 -1.405 1.00 0.00 H new ATOM 1558 N ILE A 109 6.682 13.600 -3.839 1.00 0.00 N ATOM 1559 CA ILE A 109 5.658 14.557 -3.457 1.00 0.00 C ATOM 1560 C ILE A 109 6.005 15.149 -2.089 1.00 0.00 C ATOM 1561 O ILE A 109 5.674 16.299 -1.805 1.00 0.00 O ATOM 1562 CB ILE A 109 4.273 13.910 -3.513 1.00 0.00 C ATOM 1563 CG1 ILE A 109 4.198 12.693 -2.590 1.00 0.00 C ATOM 1564 CG2 ILE A 109 3.888 13.563 -4.952 1.00 0.00 C ATOM 1565 CD1 ILE A 109 2.769 12.149 -2.514 1.00 0.00 C ATOM 0 H ILE A 109 6.776 12.802 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 109 5.627 15.385 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 109 3.543 14.634 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 109 4.868 11.914 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 109 4.540 12.967 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 109 2.899 13.104 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.874 14.472 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.616 12.865 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.744 11.284 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.105 12.922 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 109 2.439 11.853 -3.510 1.00 0.00 H new ATOM 1576 N ARG A 110 6.667 14.336 -1.279 1.00 0.00 N ATOM 1577 CA ARG A 110 7.392 14.853 -0.129 1.00 0.00 C ATOM 1578 C ARG A 110 8.850 14.393 -0.172 1.00 0.00 C ATOM 1579 O ARG A 110 9.740 15.211 -0.155 1.00 0.00 O ATOM 1580 CB ARG A 110 6.754 14.383 1.179 1.00 0.00 C ATOM 1581 CG ARG A 110 5.253 14.681 1.196 1.00 0.00 C ATOM 1582 CD ARG A 110 4.974 16.059 1.799 1.00 0.00 C ATOM 1583 NE ARG A 110 5.399 17.120 0.857 1.00 0.00 N ATOM 1584 CZ ARG A 110 6.207 18.137 1.185 1.00 0.00 C ATOM 1585 NH1 ARG A 110 7.109 17.987 2.165 1.00 0.00 N ATOM 1586 NH2 ARG A 110 6.112 19.304 0.534 1.00 0.00 N ATOM 0 H ARG A 110 6.717 13.324 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 110 7.349 15.941 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 110 6.917 13.312 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.236 14.879 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.859 14.638 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.733 13.916 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.911 16.161 2.018 1.00 0.00 H new ATOM 0 HD3 ARG A 110 5.506 16.166 2.744 1.00 0.00 H new ATOM 0 HE ARG A 110 5.055 17.073 -0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 110 7.180 17.099 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 110 7.724 18.761 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.425 19.418 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.727 20.079 0.783 1.00 0.00 H new TER 1597 ARG A 110