USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 GLN : amide:sc= -0.49 X(o=-0.91,f=-1.1) USER MOD Set 1.2: A 93 TYR OH : rot -135:sc= -0.422 USER MOD Set 2.1: A 35 THR OG1 : rot 125:sc= 1.39 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -165:sc= -0.0941 (180deg=-0.311) USER MOD Single : A 2 SER OG : rot -26:sc= 0.594 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.269 F(o=-0.9,f=-0.27) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 151:sc= -0.556 (180deg=-1.89!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.8!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.063) USER MOD Single : A 61 ASN : amide:sc= -2.27 K(o=-2.3,f=-9.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc=-0.00305 X(o=-0.0031,f=0) USER MOD Single : A 80 GLN : amide:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 82 MET CE :methyl -122:sc=-0.00259 (180deg=-1.35) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.0584 (180deg=-0.377) USER MOD Single : A 91 SER OG : rot -140:sc= -0.898 USER MOD Single : A 92 ASN : amide:sc= -4.83! C(o=-4.8!,f=-5.3!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.734 X(o=-0.73,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.187 -1.280 -0.832 1.00 12.11 N ATOM 9 CA SER A 2 4.469 -1.973 -0.777 1.00 15.12 C ATOM 10 C SER A 2 4.268 -3.474 -0.601 1.00 11.14 C ATOM 11 O SER A 2 3.828 -3.934 0.453 1.00 11.23 O ATOM 12 CB SER A 2 5.321 -1.422 0.370 1.00 33.40 C ATOM 13 OG SER A 2 4.505 -0.945 1.426 1.00 1.45 O ATOM 0 HA SER A 2 4.988 -1.802 -1.720 1.00 15.12 H new ATOM 0 HB2 SER A 2 5.984 -2.203 0.742 1.00 33.40 H new ATOM 0 HB3 SER A 2 5.954 -0.615 0.002 1.00 33.40 H new ATOM 0 HG SER A 2 3.632 -0.678 1.070 1.00 1.45 H new ATOM 19 N ALA A 3 4.594 -4.235 -1.641 1.00 54.41 N ATOM 20 CA ALA A 3 4.450 -5.685 -1.602 1.00 43.23 C ATOM 21 C ALA A 3 3.054 -6.087 -1.142 1.00 51.44 C ATOM 22 O ALA A 3 2.878 -6.594 -0.034 1.00 41.33 O ATOM 23 CB ALA A 3 5.505 -6.294 -0.689 1.00 72.23 C ATOM 0 H ALA A 3 4.960 -3.871 -2.521 1.00 54.41 H new ATOM 0 HA ALA A 3 4.594 -6.067 -2.613 1.00 43.23 H new ATOM 0 HB1 ALA A 3 5.387 -7.377 -0.668 1.00 72.23 H new ATOM 0 HB2 ALA A 3 6.498 -6.044 -1.063 1.00 72.23 H new ATOM 0 HB3 ALA A 3 5.387 -5.897 0.319 1.00 72.23 H new ATOM 29 N GLN A 4 2.064 -5.857 -1.999 1.00 43.54 N ATOM 30 CA GLN A 4 0.682 -6.194 -1.678 1.00 64.02 C ATOM 31 C GLN A 4 0.328 -7.585 -2.193 1.00 24.13 C ATOM 32 O GLN A 4 0.615 -7.925 -3.340 1.00 42.32 O ATOM 33 CB GLN A 4 -0.270 -5.158 -2.278 1.00 44.20 C ATOM 34 CG GLN A 4 -1.325 -4.665 -1.301 1.00 21.30 C ATOM 35 CD GLN A 4 -2.414 -3.855 -1.977 1.00 63.31 C ATOM 36 OE1 GLN A 4 -2.297 -2.639 -2.125 1.00 11.41 O ATOM 37 NE2 GLN A 4 -3.481 -4.528 -2.393 1.00 23.14 N ATOM 0 H GLN A 4 2.193 -5.439 -2.920 1.00 43.54 H new ATOM 0 HA GLN A 4 0.576 -6.190 -0.593 1.00 64.02 H new ATOM 0 HB2 GLN A 4 0.310 -4.307 -2.634 1.00 44.20 H new ATOM 0 HB3 GLN A 4 -0.765 -5.592 -3.147 1.00 44.20 H new ATOM 0 HG2 GLN A 4 -1.774 -5.520 -0.795 1.00 21.30 H new ATOM 0 HG3 GLN A 4 -0.848 -4.056 -0.534 1.00 21.30 H new ATOM 0 HE21 GLN A 4 -3.536 -5.536 -2.249 1.00 23.14 H new ATOM 0 HE22 GLN A 4 -4.245 -4.036 -2.856 1.00 23.14 H new ATOM 46 N ASN A 5 -0.296 -8.387 -1.336 1.00 52.34 N ATOM 47 CA ASN A 5 -0.689 -9.743 -1.705 1.00 42.31 C ATOM 48 C ASN A 5 -2.086 -9.756 -2.317 1.00 31.51 C ATOM 49 O ASN A 5 -3.060 -9.360 -1.676 1.00 43.24 O ATOM 50 CB ASN A 5 -0.648 -10.659 -0.480 1.00 4.44 C ATOM 51 CG ASN A 5 -1.359 -10.057 0.716 1.00 0.42 C ATOM 52 OD1 ASN A 5 -0.639 -9.250 1.488 1.00 70.32 O flip ATOM 53 ND2 ASN A 5 -2.541 -10.314 0.944 1.00 23.05 N flip ATOM 0 H ASN A 5 -0.540 -8.122 -0.382 1.00 52.34 H new ATOM 0 HA ASN A 5 0.018 -10.110 -2.449 1.00 42.31 H new ATOM 0 HB2 ASN A 5 -1.108 -11.615 -0.729 1.00 4.44 H new ATOM 0 HB3 ASN A 5 0.390 -10.863 -0.217 1.00 4.44 H new ATOM 0 HD21 ASN A 5 -3.056 -10.939 0.324 1.00 23.05 H new ATOM 0 HD22 ASN A 5 -3.006 -9.901 1.753 1.00 23.05 H new ATOM 60 N ILE A 6 -2.177 -10.218 -3.561 1.00 2.23 N ATOM 61 CA ILE A 6 -3.454 -10.285 -4.259 1.00 34.23 C ATOM 62 C ILE A 6 -3.681 -11.669 -4.857 1.00 22.23 C ATOM 63 O ILE A 6 -2.830 -12.195 -5.575 1.00 43.21 O ATOM 64 CB ILE A 6 -3.539 -9.233 -5.379 1.00 71.32 C ATOM 65 CG1 ILE A 6 -3.700 -7.833 -4.784 1.00 53.11 C ATOM 66 CG2 ILE A 6 -4.694 -9.551 -6.318 1.00 54.21 C ATOM 67 CD1 ILE A 6 -2.413 -7.260 -4.234 1.00 45.33 C ATOM 0 H ILE A 6 -1.381 -10.551 -4.105 1.00 2.23 H new ATOM 0 HA ILE A 6 -4.229 -10.080 -3.520 1.00 34.23 H new ATOM 0 HB ILE A 6 -2.612 -9.259 -5.952 1.00 71.32 H new ATOM 0 HG12 ILE A 6 -4.088 -7.163 -5.551 1.00 53.11 H new ATOM 0 HG13 ILE A 6 -4.443 -7.869 -3.987 1.00 53.11 H new ATOM 0 HG21 ILE A 6 -4.741 -8.798 -7.105 1.00 54.21 H new ATOM 0 HG22 ILE A 6 -4.540 -10.533 -6.765 1.00 54.21 H new ATOM 0 HG23 ILE A 6 -5.629 -9.550 -5.758 1.00 54.21 H new ATOM 0 HD11 ILE A 6 -2.601 -6.266 -3.828 1.00 45.33 H new ATOM 0 HD12 ILE A 6 -2.034 -7.909 -3.444 1.00 45.33 H new ATOM 0 HD13 ILE A 6 -1.674 -7.192 -5.033 1.00 45.33 H new ATOM 79 N THR A 7 -4.835 -12.256 -4.557 1.00 75.23 N ATOM 80 CA THR A 7 -5.176 -13.579 -5.066 1.00 74.03 C ATOM 81 C THR A 7 -5.974 -13.481 -6.362 1.00 0.13 C ATOM 82 O THR A 7 -6.815 -12.598 -6.518 1.00 53.43 O ATOM 83 CB THR A 7 -5.988 -14.385 -4.035 1.00 44.14 C ATOM 84 OG1 THR A 7 -6.736 -13.497 -3.197 1.00 1.12 O ATOM 85 CG2 THR A 7 -5.072 -15.248 -3.180 1.00 54.04 C ATOM 0 H THR A 7 -5.550 -11.836 -3.963 1.00 75.23 H new ATOM 0 HA THR A 7 -4.236 -14.095 -5.260 1.00 74.03 H new ATOM 0 HB THR A 7 -6.674 -15.037 -4.575 1.00 44.14 H new ATOM 0 HG1 THR A 7 -7.251 -14.018 -2.546 1.00 1.12 H new ATOM 0 HG21 THR A 7 -5.668 -15.808 -2.459 1.00 54.04 H new ATOM 0 HG22 THR A 7 -4.527 -15.943 -3.818 1.00 54.04 H new ATOM 0 HG23 THR A 7 -4.364 -14.612 -2.649 1.00 54.04 H new ATOM 93 N ALA A 8 -5.705 -14.397 -7.287 1.00 42.43 N ATOM 94 CA ALA A 8 -6.401 -14.415 -8.568 1.00 42.42 C ATOM 95 C ALA A 8 -6.649 -15.844 -9.037 1.00 33.30 C ATOM 96 O ALA A 8 -6.089 -16.794 -8.489 1.00 40.22 O ATOM 97 CB ALA A 8 -5.604 -13.645 -9.612 1.00 30.13 C ATOM 0 H ALA A 8 -5.011 -15.136 -7.173 1.00 42.43 H new ATOM 0 HA ALA A 8 -7.369 -13.931 -8.436 1.00 42.42 H new ATOM 0 HB1 ALA A 8 -6.135 -13.666 -10.564 1.00 30.13 H new ATOM 0 HB2 ALA A 8 -5.482 -12.612 -9.287 1.00 30.13 H new ATOM 0 HB3 ALA A 8 -4.623 -14.105 -9.733 1.00 30.13 H new ATOM 103 N ARG A 9 -7.493 -15.990 -10.053 1.00 55.10 N ATOM 104 CA ARG A 9 -7.818 -17.304 -10.594 1.00 35.52 C ATOM 105 C ARG A 9 -7.384 -17.414 -12.053 1.00 53.32 C ATOM 106 O ARG A 9 -7.367 -16.421 -12.781 1.00 24.11 O ATOM 107 CB ARG A 9 -9.320 -17.572 -10.476 1.00 4.54 C ATOM 108 CG ARG A 9 -9.712 -18.288 -9.193 1.00 63.43 C ATOM 109 CD ARG A 9 -9.730 -17.338 -8.007 1.00 52.10 C ATOM 110 NE ARG A 9 -10.738 -17.714 -7.019 1.00 42.03 N ATOM 111 CZ ARG A 9 -10.848 -17.142 -5.826 1.00 12.22 C ATOM 112 NH1 ARG A 9 -10.016 -16.171 -5.474 1.00 54.03 N ATOM 113 NH2 ARG A 9 -11.791 -17.539 -4.982 1.00 71.32 N ATOM 0 H ARG A 9 -7.964 -15.214 -10.518 1.00 55.10 H new ATOM 0 HA ARG A 9 -7.276 -18.051 -10.014 1.00 35.52 H new ATOM 0 HB2 ARG A 9 -9.855 -16.624 -10.531 1.00 4.54 H new ATOM 0 HB3 ARG A 9 -9.642 -18.170 -11.329 1.00 4.54 H new ATOM 0 HG2 ARG A 9 -10.697 -18.739 -9.314 1.00 63.43 H new ATOM 0 HG3 ARG A 9 -9.011 -19.100 -8.999 1.00 63.43 H new ATOM 0 HD2 ARG A 9 -8.747 -17.328 -7.536 1.00 52.10 H new ATOM 0 HD3 ARG A 9 -9.926 -16.325 -8.357 1.00 52.10 H new ATOM 0 HE ARG A 9 -11.394 -18.457 -7.259 1.00 42.03 H new ATOM 0 HH11 ARG A 9 -9.290 -15.862 -6.120 1.00 54.03 H new ATOM 0 HH12 ARG A 9 -10.102 -15.733 -4.557 1.00 54.03 H new ATOM 0 HH21 ARG A 9 -12.433 -18.285 -5.249 1.00 71.32 H new ATOM 0 HH22 ARG A 9 -11.874 -17.098 -4.066 1.00 71.32 H new ATOM 127 N ILE A 10 -7.036 -18.625 -12.472 1.00 21.24 N ATOM 128 CA ILE A 10 -6.603 -18.864 -13.843 1.00 54.12 C ATOM 129 C ILE A 10 -7.755 -18.672 -14.823 1.00 71.44 C ATOM 130 O ILE A 10 -8.777 -19.350 -14.737 1.00 73.33 O ATOM 131 CB ILE A 10 -6.030 -20.283 -14.013 1.00 31.12 C ATOM 132 CG1 ILE A 10 -4.826 -20.485 -13.091 1.00 63.23 C ATOM 133 CG2 ILE A 10 -5.641 -20.527 -15.464 1.00 43.41 C ATOM 134 CD1 ILE A 10 -4.593 -21.929 -12.709 1.00 23.04 C ATOM 0 H ILE A 10 -7.045 -19.457 -11.882 1.00 21.24 H new ATOM 0 HA ILE A 10 -5.820 -18.137 -14.059 1.00 54.12 H new ATOM 0 HB ILE A 10 -6.799 -21.005 -13.737 1.00 31.12 H new ATOM 0 HG12 ILE A 10 -3.933 -20.099 -13.583 1.00 63.23 H new ATOM 0 HG13 ILE A 10 -4.970 -19.897 -12.185 1.00 63.23 H new ATOM 0 HG21 ILE A 10 -5.238 -21.534 -15.568 1.00 43.41 H new ATOM 0 HG22 ILE A 10 -6.520 -20.421 -16.099 1.00 43.41 H new ATOM 0 HG23 ILE A 10 -4.886 -19.801 -15.765 1.00 43.41 H new ATOM 0 HD11 ILE A 10 -3.724 -21.997 -12.055 1.00 23.04 H new ATOM 0 HD12 ILE A 10 -5.470 -22.314 -12.188 1.00 23.04 H new ATOM 0 HD13 ILE A 10 -4.417 -22.519 -13.608 1.00 23.04 H new ATOM 146 N GLY A 11 -7.580 -17.743 -15.759 1.00 52.52 N ATOM 147 CA GLY A 11 -8.612 -17.478 -16.744 1.00 71.41 C ATOM 148 C GLY A 11 -9.423 -16.240 -16.418 1.00 43.13 C ATOM 149 O GLY A 11 -10.223 -15.782 -17.232 1.00 72.32 O ATOM 0 H GLY A 11 -6.742 -17.170 -15.852 1.00 52.52 H new ATOM 0 HA2 GLY A 11 -8.151 -17.359 -17.725 1.00 71.41 H new ATOM 0 HA3 GLY A 11 -9.278 -18.338 -16.808 1.00 71.41 H new ATOM 153 N GLU A 12 -9.215 -15.697 -15.222 1.00 14.12 N ATOM 154 CA GLU A 12 -9.935 -14.505 -14.789 1.00 72.43 C ATOM 155 C GLU A 12 -9.057 -13.263 -14.913 1.00 23.15 C ATOM 156 O GLU A 12 -7.855 -13.294 -14.647 1.00 1.41 O ATOM 157 CB GLU A 12 -10.411 -14.667 -13.344 1.00 41.45 C ATOM 158 CG GLU A 12 -9.366 -14.274 -12.313 1.00 3.32 C ATOM 159 CD GLU A 12 -9.505 -12.833 -11.860 1.00 62.13 C ATOM 160 OE1 GLU A 12 -10.640 -12.311 -11.880 1.00 23.05 O ATOM 161 OE2 GLU A 12 -8.479 -12.227 -11.488 1.00 4.23 O ATOM 0 H GLU A 12 -8.554 -16.063 -14.537 1.00 14.12 H new ATOM 0 HA GLU A 12 -10.802 -14.380 -15.437 1.00 72.43 H new ATOM 0 HB2 GLU A 12 -11.304 -14.060 -13.194 1.00 41.45 H new ATOM 0 HB3 GLU A 12 -10.700 -15.705 -13.179 1.00 41.45 H new ATOM 0 HG2 GLU A 12 -9.449 -14.932 -11.448 1.00 3.32 H new ATOM 0 HG3 GLU A 12 -8.372 -14.424 -12.734 1.00 3.32 H new ATOM 168 N PRO A 13 -9.669 -12.144 -15.327 1.00 20.25 N ATOM 169 CA PRO A 13 -8.963 -10.871 -15.494 1.00 43.12 C ATOM 170 C PRO A 13 -8.537 -10.263 -14.162 1.00 74.40 C ATOM 171 O PRO A 13 -9.235 -10.399 -13.156 1.00 13.34 O ATOM 172 CB PRO A 13 -9.997 -9.979 -16.183 1.00 73.40 C ATOM 173 CG PRO A 13 -11.315 -10.553 -15.789 1.00 4.14 C ATOM 174 CD PRO A 13 -11.099 -12.035 -15.661 1.00 3.15 C ATOM 0 HA PRO A 13 -8.039 -10.990 -16.059 1.00 43.12 H new ATOM 0 HB2 PRO A 13 -9.904 -8.942 -15.859 1.00 73.40 H new ATOM 0 HB3 PRO A 13 -9.869 -9.988 -17.265 1.00 73.40 H new ATOM 0 HG2 PRO A 13 -11.661 -10.126 -14.848 1.00 4.14 H new ATOM 0 HG3 PRO A 13 -12.076 -10.333 -16.537 1.00 4.14 H new ATOM 0 HD2 PRO A 13 -11.728 -12.467 -14.882 1.00 3.15 H new ATOM 0 HD3 PRO A 13 -11.336 -12.557 -16.588 1.00 3.15 H new ATOM 182 N LEU A 14 -7.391 -9.592 -14.161 1.00 31.43 N ATOM 183 CA LEU A 14 -6.873 -8.963 -12.951 1.00 61.14 C ATOM 184 C LEU A 14 -6.271 -7.597 -13.264 1.00 63.32 C ATOM 185 O LEU A 14 -5.669 -7.399 -14.320 1.00 3.44 O ATOM 186 CB LEU A 14 -5.822 -9.860 -12.297 1.00 5.23 C ATOM 187 CG LEU A 14 -5.452 -9.516 -10.853 1.00 62.00 C ATOM 188 CD1 LEU A 14 -6.493 -10.067 -9.890 1.00 25.43 C ATOM 189 CD2 LEU A 14 -4.069 -10.055 -10.513 1.00 74.05 C ATOM 0 H LEU A 14 -6.802 -9.469 -14.985 1.00 31.43 H new ATOM 0 HA LEU A 14 -7.703 -8.823 -12.258 1.00 61.14 H new ATOM 0 HB2 LEU A 14 -6.183 -10.888 -12.324 1.00 5.23 H new ATOM 0 HB3 LEU A 14 -4.916 -9.825 -12.902 1.00 5.23 H new ATOM 0 HG LEU A 14 -5.431 -8.431 -10.752 1.00 62.00 H new ATOM 0 HD11 LEU A 14 -6.213 -9.813 -8.868 1.00 25.43 H new ATOM 0 HD12 LEU A 14 -7.466 -9.633 -10.119 1.00 25.43 H new ATOM 0 HD13 LEU A 14 -6.546 -11.151 -9.993 1.00 25.43 H new ATOM 0 HD21 LEU A 14 -3.823 -9.801 -9.482 1.00 74.05 H new ATOM 0 HD22 LEU A 14 -4.062 -11.139 -10.631 1.00 74.05 H new ATOM 0 HD23 LEU A 14 -3.331 -9.612 -11.182 1.00 74.05 H new ATOM 201 N VAL A 15 -6.435 -6.658 -12.337 1.00 62.24 N ATOM 202 CA VAL A 15 -5.904 -5.311 -12.512 1.00 70.15 C ATOM 203 C VAL A 15 -4.931 -4.955 -11.394 1.00 44.12 C ATOM 204 O VAL A 15 -5.131 -5.332 -10.239 1.00 13.41 O ATOM 205 CB VAL A 15 -7.033 -4.264 -12.549 1.00 50.45 C ATOM 206 CG1 VAL A 15 -6.481 -2.898 -12.928 1.00 42.54 C ATOM 207 CG2 VAL A 15 -8.127 -4.693 -13.515 1.00 23.22 C ATOM 0 H VAL A 15 -6.931 -6.805 -11.458 1.00 62.24 H new ATOM 0 HA VAL A 15 -5.376 -5.299 -13.466 1.00 70.15 H new ATOM 0 HB VAL A 15 -7.469 -4.190 -11.553 1.00 50.45 H new ATOM 0 HG11 VAL A 15 -7.293 -2.171 -12.949 1.00 42.54 H new ATOM 0 HG12 VAL A 15 -5.737 -2.590 -12.194 1.00 42.54 H new ATOM 0 HG13 VAL A 15 -6.018 -2.953 -13.913 1.00 42.54 H new ATOM 0 HG21 VAL A 15 -8.916 -3.941 -13.528 1.00 23.22 H new ATOM 0 HG22 VAL A 15 -7.708 -4.797 -14.516 1.00 23.22 H new ATOM 0 HG23 VAL A 15 -8.542 -5.649 -13.194 1.00 23.22 H new ATOM 217 N LEU A 16 -3.878 -4.225 -11.745 1.00 25.43 N ATOM 218 CA LEU A 16 -2.872 -3.817 -10.770 1.00 41.33 C ATOM 219 C LEU A 16 -2.571 -2.326 -10.891 1.00 31.04 C ATOM 220 O LEU A 16 -2.637 -1.754 -11.979 1.00 24.43 O ATOM 221 CB LEU A 16 -1.587 -4.625 -10.963 1.00 70.53 C ATOM 222 CG LEU A 16 -1.680 -6.119 -10.649 1.00 74.15 C ATOM 223 CD1 LEU A 16 -0.639 -6.896 -11.440 1.00 52.03 C ATOM 224 CD2 LEU A 16 -1.510 -6.361 -9.157 1.00 64.01 C ATOM 0 H LEU A 16 -3.699 -3.904 -12.696 1.00 25.43 H new ATOM 0 HA LEU A 16 -3.269 -4.010 -9.773 1.00 41.33 H new ATOM 0 HB2 LEU A 16 -1.262 -4.511 -11.997 1.00 70.53 H new ATOM 0 HB3 LEU A 16 -0.810 -4.190 -10.335 1.00 70.53 H new ATOM 0 HG LEU A 16 -2.668 -6.473 -10.944 1.00 74.15 H new ATOM 0 HD11 LEU A 16 -0.720 -7.957 -11.204 1.00 52.03 H new ATOM 0 HD12 LEU A 16 -0.807 -6.748 -12.507 1.00 52.03 H new ATOM 0 HD13 LEU A 16 0.357 -6.541 -11.177 1.00 52.03 H new ATOM 0 HD21 LEU A 16 -1.579 -7.429 -8.951 1.00 64.01 H new ATOM 0 HD22 LEU A 16 -0.535 -5.992 -8.837 1.00 64.01 H new ATOM 0 HD23 LEU A 16 -2.294 -5.835 -8.612 1.00 64.01 H new ATOM 236 N LYS A 17 -2.238 -1.702 -9.766 1.00 74.23 N ATOM 237 CA LYS A 17 -1.924 -0.279 -9.744 1.00 43.33 C ATOM 238 C LYS A 17 -0.458 -0.051 -9.386 1.00 55.44 C ATOM 239 O LYS A 17 0.154 -0.861 -8.689 1.00 60.53 O ATOM 240 CB LYS A 17 -2.824 0.449 -8.743 1.00 50.03 C ATOM 241 CG LYS A 17 -3.074 1.905 -9.097 1.00 35.21 C ATOM 242 CD LYS A 17 -4.396 2.396 -8.531 1.00 52.41 C ATOM 243 CE LYS A 17 -5.558 2.058 -9.452 1.00 24.23 C ATOM 244 NZ LYS A 17 -6.866 2.460 -8.865 1.00 65.50 N ATOM 0 H LYS A 17 -2.179 -2.161 -8.857 1.00 74.23 H new ATOM 0 HA LYS A 17 -2.103 0.122 -10.742 1.00 43.33 H new ATOM 0 HB2 LYS A 17 -3.780 -0.071 -8.682 1.00 50.03 H new ATOM 0 HB3 LYS A 17 -2.369 0.397 -7.754 1.00 50.03 H new ATOM 0 HG2 LYS A 17 -2.261 2.519 -8.711 1.00 35.21 H new ATOM 0 HG3 LYS A 17 -3.075 2.022 -10.181 1.00 35.21 H new ATOM 0 HD2 LYS A 17 -4.563 1.946 -7.553 1.00 52.41 H new ATOM 0 HD3 LYS A 17 -4.351 3.475 -8.382 1.00 52.41 H new ATOM 0 HE2 LYS A 17 -5.420 2.560 -10.410 1.00 24.23 H new ATOM 0 HE3 LYS A 17 -5.563 0.986 -9.652 1.00 24.23 H new ATOM 0 HZ1 LYS A 17 -7.632 2.213 -9.523 1.00 65.50 H new ATOM 0 HZ2 LYS A 17 -7.010 1.962 -7.963 1.00 65.50 H new ATOM 0 HZ3 LYS A 17 -6.871 3.487 -8.698 1.00 65.50 H new ATOM 258 N CYS A 18 0.097 1.058 -9.864 1.00 31.31 N ATOM 259 CA CYS A 18 1.490 1.393 -9.593 1.00 31.20 C ATOM 260 C CYS A 18 1.587 2.557 -8.611 1.00 24.33 C ATOM 261 O CYS A 18 1.405 3.716 -8.984 1.00 54.24 O ATOM 262 CB CYS A 18 2.213 1.746 -10.894 1.00 45.40 C ATOM 263 SG CYS A 18 1.928 0.563 -12.249 1.00 53.04 S ATOM 0 H CYS A 18 -0.396 1.740 -10.441 1.00 31.31 H new ATOM 0 HA CYS A 18 1.968 0.522 -9.145 1.00 31.20 H new ATOM 0 HB2 CYS A 18 1.893 2.736 -11.218 1.00 45.40 H new ATOM 0 HB3 CYS A 18 3.283 1.806 -10.697 1.00 45.40 H new ATOM 268 N LYS A 19 1.878 2.241 -7.354 1.00 24.35 N ATOM 269 CA LYS A 19 2.002 3.257 -6.317 1.00 45.43 C ATOM 270 C LYS A 19 2.986 4.345 -6.737 1.00 51.41 C ATOM 271 O LYS A 19 4.135 4.061 -7.074 1.00 21.04 O ATOM 272 CB LYS A 19 2.460 2.622 -5.002 1.00 41.23 C ATOM 273 CG LYS A 19 1.594 1.456 -4.557 1.00 72.32 C ATOM 274 CD LYS A 19 0.121 1.829 -4.541 1.00 12.43 C ATOM 275 CE LYS A 19 -0.151 2.981 -3.585 1.00 42.24 C ATOM 276 NZ LYS A 19 -0.553 4.219 -4.310 1.00 11.21 N ATOM 0 H LYS A 19 2.033 1.287 -7.029 1.00 24.35 H new ATOM 0 HA LYS A 19 1.022 3.712 -6.171 1.00 45.43 H new ATOM 0 HB2 LYS A 19 3.489 2.279 -5.113 1.00 41.23 H new ATOM 0 HB3 LYS A 19 2.460 3.383 -4.221 1.00 41.23 H new ATOM 0 HG2 LYS A 19 1.749 0.610 -5.227 1.00 72.32 H new ATOM 0 HG3 LYS A 19 1.899 1.134 -3.561 1.00 72.32 H new ATOM 0 HD2 LYS A 19 -0.196 2.106 -5.546 1.00 12.43 H new ATOM 0 HD3 LYS A 19 -0.472 0.963 -4.247 1.00 12.43 H new ATOM 0 HE2 LYS A 19 -0.939 2.696 -2.888 1.00 42.24 H new ATOM 0 HE3 LYS A 19 0.742 3.180 -2.993 1.00 42.24 H new ATOM 0 HZ1 LYS A 19 -1.175 4.790 -3.703 1.00 11.21 H new ATOM 0 HZ2 LYS A 19 0.295 4.770 -4.553 1.00 11.21 H new ATOM 0 HZ3 LYS A 19 -1.060 3.962 -5.181 1.00 11.21 H new ATOM 290 N GLY A 20 2.528 5.593 -6.714 1.00 41.44 N ATOM 291 CA GLY A 20 3.381 6.704 -7.093 1.00 73.31 C ATOM 292 C GLY A 20 2.769 7.558 -8.185 1.00 43.22 C ATOM 293 O GLY A 20 2.805 8.787 -8.115 1.00 71.23 O ATOM 0 H GLY A 20 1.581 5.854 -6.440 1.00 41.44 H new ATOM 0 HA2 GLY A 20 3.576 7.324 -6.218 1.00 73.31 H new ATOM 0 HA3 GLY A 20 4.343 6.320 -7.432 1.00 73.31 H new ATOM 434 N LEU A 29 7.276 5.783 -17.661 1.00 44.31 N ATOM 435 CA LEU A 29 7.295 4.725 -16.657 1.00 25.24 C ATOM 436 C LEU A 29 7.561 3.368 -17.301 1.00 4.13 C ATOM 437 O LEU A 29 7.287 3.167 -18.483 1.00 74.03 O ATOM 438 CB LEU A 29 5.968 4.691 -15.897 1.00 65.13 C ATOM 439 CG LEU A 29 4.734 5.135 -16.684 1.00 32.21 C ATOM 440 CD1 LEU A 29 4.619 4.353 -17.983 1.00 54.30 C ATOM 441 CD2 LEU A 29 3.476 4.965 -15.844 1.00 3.42 C ATOM 0 HA LEU A 29 8.102 4.938 -15.956 1.00 25.24 H new ATOM 0 HB2 LEU A 29 5.801 3.674 -15.542 1.00 65.13 H new ATOM 0 HB3 LEU A 29 6.060 5.326 -15.016 1.00 65.13 H new ATOM 0 HG LEU A 29 4.844 6.192 -16.929 1.00 32.21 H new ATOM 0 HD11 LEU A 29 3.735 4.683 -18.529 1.00 54.30 H new ATOM 0 HD12 LEU A 29 5.507 4.526 -18.591 1.00 54.30 H new ATOM 0 HD13 LEU A 29 4.532 3.289 -17.761 1.00 54.30 H new ATOM 0 HD21 LEU A 29 2.608 5.286 -16.420 1.00 3.42 H new ATOM 0 HD22 LEU A 29 3.361 3.917 -15.568 1.00 3.42 H new ATOM 0 HD23 LEU A 29 3.557 5.571 -14.941 1.00 3.42 H new ATOM 453 N GLU A 30 8.094 2.439 -16.513 1.00 1.11 N ATOM 454 CA GLU A 30 8.395 1.100 -17.008 1.00 13.34 C ATOM 455 C GLU A 30 7.644 0.042 -16.203 1.00 52.01 C ATOM 456 O GLU A 30 7.385 0.221 -15.013 1.00 34.20 O ATOM 457 CB GLU A 30 9.901 0.834 -16.940 1.00 73.35 C ATOM 458 CG GLU A 30 10.377 -0.215 -17.931 1.00 32.24 C ATOM 459 CD GLU A 30 10.353 0.280 -19.363 1.00 73.32 C ATOM 460 OE1 GLU A 30 9.278 0.215 -19.995 1.00 62.44 O ATOM 461 OE2 GLU A 30 11.410 0.733 -19.852 1.00 13.03 O ATOM 0 H GLU A 30 8.326 2.588 -15.531 1.00 1.11 H new ATOM 0 HA GLU A 30 8.069 1.042 -18.047 1.00 13.34 H new ATOM 0 HB2 GLU A 30 10.435 1.766 -17.125 1.00 73.35 H new ATOM 0 HB3 GLU A 30 10.160 0.513 -15.931 1.00 73.35 H new ATOM 0 HG2 GLU A 30 11.391 -0.519 -17.673 1.00 32.24 H new ATOM 0 HG3 GLU A 30 9.748 -1.101 -17.846 1.00 32.24 H new ATOM 468 N TRP A 31 7.298 -1.057 -16.862 1.00 64.40 N ATOM 469 CA TRP A 31 6.577 -2.144 -16.210 1.00 62.24 C ATOM 470 C TRP A 31 7.365 -3.447 -16.292 1.00 31.13 C ATOM 471 O TRP A 31 7.762 -3.877 -17.375 1.00 2.20 O ATOM 472 CB TRP A 31 5.199 -2.325 -16.850 1.00 24.24 C ATOM 473 CG TRP A 31 4.434 -1.044 -16.985 1.00 32.34 C ATOM 474 CD1 TRP A 31 4.801 0.058 -17.703 1.00 21.35 C ATOM 475 CD2 TRP A 31 3.172 -0.732 -16.385 1.00 20.22 C ATOM 476 NE1 TRP A 31 3.844 1.036 -17.586 1.00 11.41 N ATOM 477 CE2 TRP A 31 2.834 0.576 -16.782 1.00 74.14 C ATOM 478 CE3 TRP A 31 2.294 -1.431 -15.552 1.00 21.31 C ATOM 479 CZ2 TRP A 31 1.657 1.196 -16.374 1.00 53.14 C ATOM 480 CZ3 TRP A 31 1.126 -0.814 -15.147 1.00 2.23 C ATOM 481 CH2 TRP A 31 0.815 0.489 -15.559 1.00 43.33 C ATOM 0 H TRP A 31 7.505 -1.219 -17.848 1.00 64.40 H new ATOM 0 HA TRP A 31 6.451 -1.884 -15.159 1.00 62.24 H new ATOM 0 HB2 TRP A 31 5.320 -2.773 -17.836 1.00 24.24 H new ATOM 0 HB3 TRP A 31 4.617 -3.026 -16.251 1.00 24.24 H new ATOM 0 HD1 TRP A 31 5.711 0.147 -18.279 1.00 21.35 H new ATOM 0 HE1 TRP A 31 3.879 1.956 -18.026 1.00 11.41 H new ATOM 0 HE3 TRP A 31 2.525 -2.436 -15.230 1.00 21.31 H new ATOM 0 HZ2 TRP A 31 1.416 2.200 -16.690 1.00 53.14 H new ATOM 0 HZ3 TRP A 31 0.441 -1.345 -14.502 1.00 2.23 H new ATOM 0 HH2 TRP A 31 -0.107 0.944 -15.227 1.00 43.33 H new ATOM 492 N LYS A 32 7.588 -4.071 -15.140 1.00 24.11 N ATOM 493 CA LYS A 32 8.327 -5.327 -15.082 1.00 11.31 C ATOM 494 C LYS A 32 7.684 -6.292 -14.090 1.00 42.05 C ATOM 495 O LYS A 32 7.313 -5.903 -12.982 1.00 54.21 O ATOM 496 CB LYS A 32 9.782 -5.067 -14.684 1.00 63.43 C ATOM 497 CG LYS A 32 10.761 -5.203 -15.839 1.00 53.11 C ATOM 498 CD LYS A 32 12.188 -5.365 -15.344 1.00 4.25 C ATOM 499 CE LYS A 32 13.146 -4.454 -16.095 1.00 4.03 C ATOM 500 NZ LYS A 32 14.555 -4.646 -15.655 1.00 23.02 N ATOM 0 H LYS A 32 7.268 -3.728 -14.234 1.00 24.11 H new ATOM 0 HA LYS A 32 8.301 -5.781 -16.073 1.00 11.31 H new ATOM 0 HB2 LYS A 32 9.862 -4.063 -14.267 1.00 63.43 H new ATOM 0 HB3 LYS A 32 10.064 -5.764 -13.895 1.00 63.43 H new ATOM 0 HG2 LYS A 32 10.487 -6.063 -16.450 1.00 53.11 H new ATOM 0 HG3 LYS A 32 10.695 -4.323 -16.479 1.00 53.11 H new ATOM 0 HD2 LYS A 32 12.232 -5.141 -14.278 1.00 4.25 H new ATOM 0 HD3 LYS A 32 12.501 -6.402 -15.465 1.00 4.25 H new ATOM 0 HE2 LYS A 32 13.070 -4.650 -17.165 1.00 4.03 H new ATOM 0 HE3 LYS A 32 12.856 -3.415 -15.940 1.00 4.03 H new ATOM 0 HZ1 LYS A 32 15.176 -4.007 -16.191 1.00 23.02 H new ATOM 0 HZ2 LYS A 32 14.634 -4.435 -14.640 1.00 23.02 H new ATOM 0 HZ3 LYS A 32 14.841 -5.631 -15.827 1.00 23.02 H new ATOM 514 N LEU A 33 7.556 -7.550 -14.495 1.00 31.13 N ATOM 515 CA LEU A 33 6.958 -8.571 -13.641 1.00 64.14 C ATOM 516 C LEU A 33 7.608 -9.931 -13.882 1.00 50.42 C ATOM 517 O LEU A 33 7.907 -10.293 -15.018 1.00 44.00 O ATOM 518 CB LEU A 33 5.453 -8.661 -13.897 1.00 51.13 C ATOM 519 CG LEU A 33 4.989 -8.296 -15.307 1.00 50.45 C ATOM 520 CD1 LEU A 33 3.744 -9.086 -15.682 1.00 2.24 C ATOM 521 CD2 LEU A 33 4.724 -6.800 -15.412 1.00 14.22 C ATOM 0 H LEU A 33 7.858 -7.888 -15.409 1.00 31.13 H new ATOM 0 HA LEU A 33 7.127 -8.286 -12.603 1.00 64.14 H new ATOM 0 HB2 LEU A 33 5.128 -9.679 -13.681 1.00 51.13 H new ATOM 0 HB3 LEU A 33 4.944 -8.007 -13.188 1.00 51.13 H new ATOM 0 HG LEU A 33 5.783 -8.555 -16.007 1.00 50.45 H new ATOM 0 HD11 LEU A 33 3.429 -8.812 -16.689 1.00 2.24 H new ATOM 0 HD12 LEU A 33 3.966 -10.153 -15.649 1.00 2.24 H new ATOM 0 HD13 LEU A 33 2.944 -8.860 -14.977 1.00 2.24 H new ATOM 0 HD21 LEU A 33 4.395 -6.559 -16.423 1.00 14.22 H new ATOM 0 HD22 LEU A 33 3.948 -6.517 -14.700 1.00 14.22 H new ATOM 0 HD23 LEU A 33 5.639 -6.252 -15.188 1.00 14.22 H new ATOM 533 N ASN A 34 7.820 -10.678 -12.803 1.00 63.03 N ATOM 534 CA ASN A 34 8.432 -11.998 -12.898 1.00 5.13 C ATOM 535 C ASN A 34 7.425 -13.091 -12.552 1.00 51.52 C ATOM 536 O ASN A 34 6.766 -13.038 -11.513 1.00 23.02 O ATOM 537 CB ASN A 34 9.641 -12.090 -11.964 1.00 40.12 C ATOM 538 CG ASN A 34 10.765 -11.159 -12.380 1.00 14.43 C ATOM 539 OD1 ASN A 34 10.638 -9.938 -12.289 1.00 62.13 O ATOM 540 ND2 ASN A 34 11.871 -11.734 -12.837 1.00 32.31 N ATOM 0 H ASN A 34 7.577 -10.392 -11.854 1.00 63.03 H new ATOM 0 HA ASN A 34 8.762 -12.145 -13.926 1.00 5.13 H new ATOM 0 HB2 ASN A 34 9.331 -11.849 -10.947 1.00 40.12 H new ATOM 0 HB3 ASN A 34 10.009 -13.116 -11.950 1.00 40.12 H new ATOM 0 HD21 ASN A 34 12.661 -11.159 -13.130 1.00 32.31 H new ATOM 0 HD22 ASN A 34 11.931 -12.751 -12.895 1.00 32.31 H new ATOM 547 N THR A 35 7.312 -14.083 -13.431 1.00 55.33 N ATOM 548 CA THR A 35 6.385 -15.187 -13.220 1.00 70.31 C ATOM 549 C THR A 35 7.046 -16.525 -13.528 1.00 70.21 C ATOM 550 O THR A 35 8.217 -16.579 -13.902 1.00 64.01 O ATOM 551 CB THR A 35 5.124 -15.038 -14.092 1.00 63.15 C ATOM 552 OG1 THR A 35 5.416 -15.415 -15.443 1.00 11.41 O ATOM 553 CG2 THR A 35 4.610 -13.606 -14.061 1.00 1.33 C ATOM 0 H THR A 35 7.851 -14.144 -14.295 1.00 55.33 H new ATOM 0 HA THR A 35 6.096 -15.160 -12.169 1.00 70.31 H new ATOM 0 HB THR A 35 4.352 -15.694 -13.690 1.00 63.15 H new ATOM 0 HG1 THR A 35 4.790 -16.112 -15.731 1.00 11.41 H new ATOM 0 HG21 THR A 35 3.719 -13.526 -14.684 1.00 1.33 H new ATOM 0 HG22 THR A 35 4.362 -13.331 -13.036 1.00 1.33 H new ATOM 0 HG23 THR A 35 5.380 -12.935 -14.441 1.00 1.33 H new ATOM 561 N GLY A 36 6.288 -17.606 -13.369 1.00 55.21 N ATOM 562 CA GLY A 36 6.819 -18.931 -13.635 1.00 72.04 C ATOM 563 C GLY A 36 7.796 -19.388 -12.571 1.00 4.43 C ATOM 564 O GLY A 36 7.494 -19.338 -11.378 1.00 63.41 O ATOM 0 H GLY A 36 5.316 -17.588 -13.061 1.00 55.21 H new ATOM 0 HA2 GLY A 36 5.996 -19.643 -13.698 1.00 72.04 H new ATOM 0 HA3 GLY A 36 7.316 -18.932 -14.605 1.00 72.04 H new ATOM 568 N ARG A 37 8.970 -19.837 -13.002 1.00 22.24 N ATOM 569 CA ARG A 37 9.994 -20.308 -12.078 1.00 1.32 C ATOM 570 C ARG A 37 11.200 -19.373 -12.079 1.00 32.13 C ATOM 571 O ARG A 37 11.807 -19.122 -11.036 1.00 71.35 O ATOM 572 CB ARG A 37 10.434 -21.726 -12.449 1.00 42.32 C ATOM 573 CG ARG A 37 9.276 -22.677 -12.699 1.00 52.23 C ATOM 574 CD ARG A 37 8.437 -22.873 -11.447 1.00 33.30 C ATOM 575 NE ARG A 37 7.555 -24.034 -11.555 1.00 53.54 N ATOM 576 CZ ARG A 37 7.957 -25.283 -11.350 1.00 54.24 C ATOM 577 NH1 ARG A 37 9.217 -25.533 -11.026 1.00 64.44 N ATOM 578 NH2 ARG A 37 7.094 -26.285 -11.467 1.00 2.12 N ATOM 0 H ARG A 37 9.236 -19.884 -13.986 1.00 22.24 H new ATOM 0 HA ARG A 37 9.565 -20.319 -11.076 1.00 1.32 H new ATOM 0 HB2 ARG A 37 11.056 -21.682 -13.343 1.00 42.32 H new ATOM 0 HB3 ARG A 37 11.055 -22.126 -11.647 1.00 42.32 H new ATOM 0 HG2 ARG A 37 8.649 -22.286 -13.501 1.00 52.23 H new ATOM 0 HG3 ARG A 37 9.660 -23.640 -13.035 1.00 52.23 H new ATOM 0 HD2 ARG A 37 9.094 -22.996 -10.586 1.00 33.30 H new ATOM 0 HD3 ARG A 37 7.839 -21.979 -11.267 1.00 33.30 H new ATOM 0 HE ARG A 37 6.578 -23.876 -11.801 1.00 53.54 H new ATOM 0 HH11 ARG A 37 9.882 -24.765 -10.933 1.00 64.44 H new ATOM 0 HH12 ARG A 37 9.522 -26.494 -10.869 1.00 64.44 H new ATOM 0 HH21 ARG A 37 6.123 -26.095 -11.714 1.00 2.12 H new ATOM 0 HH22 ARG A 37 7.402 -27.245 -11.310 1.00 2.12 H new ATOM 592 N THR A 38 11.543 -18.859 -13.256 1.00 30.24 N ATOM 593 CA THR A 38 12.676 -17.953 -13.394 1.00 10.23 C ATOM 594 C THR A 38 12.849 -17.505 -14.840 1.00 72.20 C ATOM 595 O THR A 38 13.326 -16.402 -15.105 1.00 5.41 O ATOM 596 CB THR A 38 13.983 -18.612 -12.913 1.00 63.11 C ATOM 597 OG1 THR A 38 14.984 -17.611 -12.693 1.00 21.20 O ATOM 598 CG2 THR A 38 14.486 -19.624 -13.932 1.00 1.42 C ATOM 0 H THR A 38 11.052 -19.055 -14.128 1.00 30.24 H new ATOM 0 HA THR A 38 12.464 -17.084 -12.771 1.00 10.23 H new ATOM 0 HB THR A 38 13.779 -19.133 -11.978 1.00 63.11 H new ATOM 0 HG1 THR A 38 15.811 -18.037 -12.386 1.00 21.20 H new ATOM 0 HG21 THR A 38 15.410 -20.076 -13.570 1.00 1.42 H new ATOM 0 HG22 THR A 38 13.734 -20.400 -14.076 1.00 1.42 H new ATOM 0 HG23 THR A 38 14.675 -19.122 -14.881 1.00 1.42 H new ATOM 606 N GLU A 39 12.456 -18.367 -15.774 1.00 4.54 N ATOM 607 CA GLU A 39 12.569 -18.057 -17.194 1.00 54.11 C ATOM 608 C GLU A 39 11.214 -17.655 -17.771 1.00 64.52 C ATOM 609 O GLU A 39 10.910 -17.945 -18.929 1.00 4.24 O ATOM 610 CB GLU A 39 13.124 -19.261 -17.958 1.00 44.43 C ATOM 611 CG GLU A 39 14.571 -19.580 -17.620 1.00 70.32 C ATOM 612 CD GLU A 39 14.923 -21.033 -17.874 1.00 15.21 C ATOM 613 OE1 GLU A 39 14.602 -21.538 -18.970 1.00 11.31 O ATOM 614 OE2 GLU A 39 15.516 -21.666 -16.975 1.00 62.44 O ATOM 0 H GLU A 39 12.057 -19.284 -15.572 1.00 4.54 H new ATOM 0 HA GLU A 39 13.256 -17.218 -17.304 1.00 54.11 H new ATOM 0 HB2 GLU A 39 12.508 -20.134 -17.742 1.00 44.43 H new ATOM 0 HB3 GLU A 39 13.043 -19.071 -19.028 1.00 44.43 H new ATOM 0 HG2 GLU A 39 15.227 -18.942 -18.212 1.00 70.32 H new ATOM 0 HG3 GLU A 39 14.756 -19.343 -16.572 1.00 70.32 H new ATOM 621 N ALA A 40 10.405 -16.987 -16.957 1.00 35.21 N ATOM 622 CA ALA A 40 9.084 -16.545 -17.387 1.00 33.30 C ATOM 623 C ALA A 40 8.932 -15.036 -17.229 1.00 62.21 C ATOM 624 O ALA A 40 7.929 -14.456 -17.646 1.00 21.24 O ATOM 625 CB ALA A 40 8.002 -17.271 -16.600 1.00 61.42 C ATOM 0 H ALA A 40 10.641 -16.740 -15.996 1.00 35.21 H new ATOM 0 HA ALA A 40 8.974 -16.787 -18.444 1.00 33.30 H new ATOM 0 HB1 ALA A 40 7.021 -16.931 -16.932 1.00 61.42 H new ATOM 0 HB2 ALA A 40 8.089 -18.345 -16.767 1.00 61.42 H new ATOM 0 HB3 ALA A 40 8.120 -17.058 -15.538 1.00 61.42 H new ATOM 631 N TRP A 41 9.933 -14.406 -16.625 1.00 44.22 N ATOM 632 CA TRP A 41 9.910 -12.963 -16.412 1.00 31.31 C ATOM 633 C TRP A 41 9.785 -12.219 -17.738 1.00 13.53 C ATOM 634 O TRP A 41 10.525 -12.487 -18.684 1.00 4.40 O ATOM 635 CB TRP A 41 11.176 -12.514 -15.679 1.00 20.42 C ATOM 636 CG TRP A 41 12.421 -12.657 -16.502 1.00 31.53 C ATOM 637 CD1 TRP A 41 13.011 -13.822 -16.900 1.00 20.22 C ATOM 638 CD2 TRP A 41 13.228 -11.597 -17.026 1.00 51.15 C ATOM 639 NE1 TRP A 41 14.136 -13.550 -17.640 1.00 25.12 N ATOM 640 CE2 TRP A 41 14.291 -12.193 -17.732 1.00 10.20 C ATOM 641 CE3 TRP A 41 13.154 -10.203 -16.969 1.00 40.41 C ATOM 642 CZ2 TRP A 41 15.272 -11.441 -18.373 1.00 50.33 C ATOM 643 CZ3 TRP A 41 14.129 -9.458 -17.606 1.00 53.10 C ATOM 644 CH2 TRP A 41 15.175 -10.078 -18.301 1.00 42.31 C ATOM 0 H TRP A 41 10.770 -14.871 -16.274 1.00 44.22 H new ATOM 0 HA TRP A 41 9.040 -12.725 -15.799 1.00 31.31 H new ATOM 0 HB2 TRP A 41 11.064 -11.472 -15.380 1.00 20.42 H new ATOM 0 HB3 TRP A 41 11.284 -13.098 -14.765 1.00 20.42 H new ATOM 0 HD1 TRP A 41 12.647 -14.812 -16.667 1.00 20.22 H new ATOM 0 HE1 TRP A 41 14.756 -14.247 -18.054 1.00 25.12 H new ATOM 0 HE3 TRP A 41 12.350 -9.716 -16.437 1.00 40.41 H new ATOM 0 HZ2 TRP A 41 16.081 -11.917 -18.908 1.00 50.33 H new ATOM 0 HZ3 TRP A 41 14.083 -8.380 -17.567 1.00 53.10 H new ATOM 0 HH2 TRP A 41 15.920 -9.468 -18.790 1.00 42.31 H new ATOM 655 N LYS A 42 8.843 -11.284 -17.798 1.00 55.25 N ATOM 656 CA LYS A 42 8.620 -10.499 -19.008 1.00 11.34 C ATOM 657 C LYS A 42 8.553 -9.010 -18.684 1.00 70.12 C ATOM 658 O LYS A 42 8.252 -8.623 -17.555 1.00 54.53 O ATOM 659 CB LYS A 42 7.328 -10.942 -19.697 1.00 53.52 C ATOM 660 CG LYS A 42 6.100 -10.842 -18.809 1.00 35.00 C ATOM 661 CD LYS A 42 5.711 -12.195 -18.239 1.00 22.14 C ATOM 662 CE LYS A 42 4.535 -12.081 -17.281 1.00 62.11 C ATOM 663 NZ LYS A 42 3.728 -13.332 -17.242 1.00 3.10 N ATOM 0 H LYS A 42 8.222 -11.051 -17.024 1.00 55.25 H new ATOM 0 HA LYS A 42 9.459 -10.669 -19.682 1.00 11.34 H new ATOM 0 HB2 LYS A 42 7.173 -10.332 -20.587 1.00 53.52 H new ATOM 0 HB3 LYS A 42 7.440 -11.973 -20.033 1.00 53.52 H new ATOM 0 HG2 LYS A 42 6.296 -10.146 -17.994 1.00 35.00 H new ATOM 0 HG3 LYS A 42 5.267 -10.435 -19.383 1.00 35.00 H new ATOM 0 HD2 LYS A 42 5.454 -12.873 -19.053 1.00 22.14 H new ATOM 0 HD3 LYS A 42 6.564 -12.630 -17.719 1.00 22.14 H new ATOM 0 HE2 LYS A 42 4.903 -11.855 -16.280 1.00 62.11 H new ATOM 0 HE3 LYS A 42 3.900 -11.248 -17.583 1.00 62.11 H new ATOM 0 HZ1 LYS A 42 2.812 -13.140 -16.789 1.00 3.10 H new ATOM 0 HZ2 LYS A 42 3.570 -13.674 -18.212 1.00 3.10 H new ATOM 0 HZ3 LYS A 42 4.238 -14.057 -16.698 1.00 3.10 H new ATOM 677 N VAL A 43 8.833 -8.179 -19.684 1.00 20.33 N ATOM 678 CA VAL A 43 8.801 -6.732 -19.506 1.00 62.23 C ATOM 679 C VAL A 43 7.545 -6.131 -20.126 1.00 41.45 C ATOM 680 O VAL A 43 7.321 -6.240 -21.332 1.00 43.41 O ATOM 681 CB VAL A 43 10.040 -6.064 -20.131 1.00 52.34 C ATOM 682 CG1 VAL A 43 9.980 -4.554 -19.949 1.00 4.30 C ATOM 683 CG2 VAL A 43 11.314 -6.632 -19.525 1.00 51.21 C ATOM 0 H VAL A 43 9.084 -8.483 -20.625 1.00 20.33 H new ATOM 0 HA VAL A 43 8.798 -6.543 -18.432 1.00 62.23 H new ATOM 0 HB VAL A 43 10.047 -6.278 -21.200 1.00 52.34 H new ATOM 0 HG11 VAL A 43 10.863 -4.098 -20.397 1.00 4.30 H new ATOM 0 HG12 VAL A 43 9.085 -4.164 -20.434 1.00 4.30 H new ATOM 0 HG13 VAL A 43 9.949 -4.317 -18.886 1.00 4.30 H new ATOM 0 HG21 VAL A 43 12.179 -6.149 -19.978 1.00 51.21 H new ATOM 0 HG22 VAL A 43 11.318 -6.450 -18.450 1.00 51.21 H new ATOM 0 HG23 VAL A 43 11.359 -7.705 -19.712 1.00 51.21 H new ATOM 693 N LEU A 44 6.729 -5.494 -19.293 1.00 73.54 N ATOM 694 CA LEU A 44 5.494 -4.873 -19.760 1.00 15.34 C ATOM 695 C LEU A 44 5.731 -3.421 -20.160 1.00 43.44 C ATOM 696 O LEU A 44 6.593 -2.744 -19.598 1.00 3.12 O ATOM 697 CB LEU A 44 4.422 -4.944 -18.670 1.00 75.43 C ATOM 698 CG LEU A 44 3.474 -6.143 -18.738 1.00 11.24 C ATOM 699 CD1 LEU A 44 2.485 -6.107 -17.584 1.00 33.03 C ATOM 700 CD2 LEU A 44 2.741 -6.169 -20.071 1.00 10.50 C ATOM 0 H LEU A 44 6.900 -5.394 -18.292 1.00 73.54 H new ATOM 0 HA LEU A 44 5.150 -5.421 -20.638 1.00 15.34 H new ATOM 0 HB2 LEU A 44 4.919 -4.954 -17.700 1.00 75.43 H new ATOM 0 HB3 LEU A 44 3.826 -4.032 -18.714 1.00 75.43 H new ATOM 0 HG LEU A 44 4.066 -7.055 -18.654 1.00 11.24 H new ATOM 0 HD11 LEU A 44 1.819 -6.967 -17.649 1.00 33.03 H new ATOM 0 HD12 LEU A 44 3.027 -6.138 -16.639 1.00 33.03 H new ATOM 0 HD13 LEU A 44 1.899 -5.190 -17.636 1.00 33.03 H new ATOM 0 HD21 LEU A 44 2.071 -7.029 -20.101 1.00 10.50 H new ATOM 0 HD22 LEU A 44 2.161 -5.253 -20.185 1.00 10.50 H new ATOM 0 HD23 LEU A 44 3.465 -6.244 -20.883 1.00 10.50 H new ATOM 712 N SER A 45 4.961 -2.947 -21.135 1.00 42.05 N ATOM 713 CA SER A 45 5.090 -1.576 -21.612 1.00 52.05 C ATOM 714 C SER A 45 3.746 -0.856 -21.564 1.00 54.34 C ATOM 715 O SER A 45 2.684 -1.472 -21.472 1.00 22.44 O ATOM 716 CB SER A 45 5.639 -1.559 -23.040 1.00 52.22 C ATOM 717 OG SER A 45 5.527 -2.836 -23.645 1.00 13.25 O ATOM 0 H SER A 45 4.242 -3.493 -21.609 1.00 42.05 H new ATOM 0 HA SER A 45 5.787 -1.054 -20.956 1.00 52.05 H new ATOM 0 HB2 SER A 45 5.096 -0.823 -23.633 1.00 52.22 H new ATOM 0 HB3 SER A 45 6.684 -1.249 -23.027 1.00 52.22 H new ATOM 0 HG SER A 45 5.883 -2.798 -24.557 1.00 13.25 H new ATOM 723 N PRO A 46 3.791 0.484 -21.627 1.00 33.35 N ATOM 724 CA PRO A 46 2.586 1.318 -21.593 1.00 40.45 C ATOM 725 C PRO A 46 1.754 1.188 -22.864 1.00 52.41 C ATOM 726 O PRO A 46 0.686 1.788 -22.981 1.00 34.14 O ATOM 727 CB PRO A 46 3.142 2.738 -21.460 1.00 53.11 C ATOM 728 CG PRO A 46 4.509 2.666 -22.047 1.00 42.22 C ATOM 729 CD PRO A 46 5.021 1.287 -21.737 1.00 73.42 C ATOM 0 HA PRO A 46 1.914 1.031 -20.784 1.00 40.45 H new ATOM 0 HB2 PRO A 46 2.520 3.458 -21.992 1.00 53.11 H new ATOM 0 HB3 PRO A 46 3.175 3.054 -20.417 1.00 53.11 H new ATOM 0 HG2 PRO A 46 4.481 2.839 -23.123 1.00 42.22 H new ATOM 0 HG3 PRO A 46 5.159 3.429 -21.618 1.00 42.22 H new ATOM 0 HD2 PRO A 46 5.675 0.914 -22.525 1.00 73.42 H new ATOM 0 HD3 PRO A 46 5.596 1.270 -20.811 1.00 73.42 H new ATOM 737 N GLN A 47 2.251 0.402 -23.813 1.00 62.22 N ATOM 738 CA GLN A 47 1.553 0.194 -25.076 1.00 41.33 C ATOM 739 C GLN A 47 1.227 -1.281 -25.282 1.00 65.21 C ATOM 740 O GLN A 47 1.860 -1.959 -26.091 1.00 74.31 O ATOM 741 CB GLN A 47 2.399 0.711 -26.242 1.00 20.35 C ATOM 742 CG GLN A 47 1.581 1.087 -27.467 1.00 11.55 C ATOM 743 CD GLN A 47 0.792 2.367 -27.270 1.00 32.23 C ATOM 744 OE1 GLN A 47 1.293 3.463 -27.516 1.00 42.33 O ATOM 745 NE2 GLN A 47 -0.452 2.232 -26.825 1.00 30.43 N ATOM 0 H GLN A 47 3.134 -0.101 -23.731 1.00 62.22 H new ATOM 0 HA GLN A 47 0.617 0.751 -25.041 1.00 41.33 H new ATOM 0 HB2 GLN A 47 2.964 1.582 -25.912 1.00 20.35 H new ATOM 0 HB3 GLN A 47 3.125 -0.053 -26.520 1.00 20.35 H new ATOM 0 HG2 GLN A 47 2.247 1.203 -28.322 1.00 11.55 H new ATOM 0 HG3 GLN A 47 0.895 0.274 -27.705 1.00 11.55 H new ATOM 0 HE21 GLN A 47 -0.827 1.303 -26.634 1.00 30.43 H new ATOM 0 HE22 GLN A 47 -1.032 3.057 -26.674 1.00 30.43 H new ATOM 852 N ALA A 56 -1.211 -9.013 -21.403 1.00 64.21 N ATOM 853 CA ALA A 56 -2.066 -7.970 -20.848 1.00 24.43 C ATOM 854 C ALA A 56 -1.743 -6.613 -21.461 1.00 52.25 C ATOM 855 O ALA A 56 -0.785 -6.475 -22.222 1.00 74.43 O ATOM 856 CB ALA A 56 -1.917 -7.917 -19.334 1.00 61.40 C ATOM 0 HA ALA A 56 -3.100 -8.213 -21.092 1.00 24.43 H new ATOM 0 HB1 ALA A 56 -2.560 -7.134 -18.932 1.00 61.40 H new ATOM 0 HB2 ALA A 56 -2.204 -8.878 -18.906 1.00 61.40 H new ATOM 0 HB3 ALA A 56 -0.880 -7.701 -19.078 1.00 61.40 H new ATOM 862 N ARG A 57 -2.549 -5.610 -21.125 1.00 11.45 N ATOM 863 CA ARG A 57 -2.350 -4.263 -21.644 1.00 15.32 C ATOM 864 C ARG A 57 -2.242 -3.252 -20.505 1.00 23.21 C ATOM 865 O ARG A 57 -2.569 -3.556 -19.358 1.00 44.25 O ATOM 866 CB ARG A 57 -3.501 -3.877 -22.574 1.00 70.14 C ATOM 867 CG ARG A 57 -4.780 -4.657 -22.318 1.00 22.42 C ATOM 868 CD ARG A 57 -5.339 -4.371 -20.934 1.00 71.11 C ATOM 869 NE ARG A 57 -6.105 -3.128 -20.899 1.00 5.31 N ATOM 870 CZ ARG A 57 -7.325 -3.001 -21.407 1.00 30.32 C ATOM 871 NH1 ARG A 57 -7.917 -4.039 -21.984 1.00 50.42 N ATOM 872 NH2 ARG A 57 -7.957 -1.837 -21.337 1.00 10.23 N ATOM 0 H ARG A 57 -3.346 -5.706 -20.495 1.00 11.45 H new ATOM 0 HA ARG A 57 -1.417 -4.252 -22.207 1.00 15.32 H new ATOM 0 HB2 ARG A 57 -3.706 -2.812 -22.461 1.00 70.14 H new ATOM 0 HB3 ARG A 57 -3.190 -4.034 -23.607 1.00 70.14 H new ATOM 0 HG2 ARG A 57 -5.523 -4.398 -23.072 1.00 22.42 H new ATOM 0 HG3 ARG A 57 -4.583 -5.724 -22.419 1.00 22.42 H new ATOM 0 HD2 ARG A 57 -5.976 -5.198 -20.622 1.00 71.11 H new ATOM 0 HD3 ARG A 57 -4.520 -4.312 -20.217 1.00 71.11 H new ATOM 0 HE ARG A 57 -5.679 -2.312 -20.460 1.00 5.31 H new ATOM 0 HH11 ARG A 57 -7.435 -4.936 -22.038 1.00 50.42 H new ATOM 0 HH12 ARG A 57 -8.854 -3.940 -22.374 1.00 50.42 H new ATOM 0 HH21 ARG A 57 -7.506 -1.038 -20.892 1.00 10.23 H new ATOM 0 HH22 ARG A 57 -8.894 -1.741 -21.728 1.00 10.23 H new ATOM 886 N VAL A 58 -1.781 -2.048 -20.831 1.00 65.21 N ATOM 887 CA VAL A 58 -1.630 -0.993 -19.837 1.00 5.23 C ATOM 888 C VAL A 58 -2.688 0.089 -20.020 1.00 4.21 C ATOM 889 O VAL A 58 -2.900 0.586 -21.127 1.00 3.21 O ATOM 890 CB VAL A 58 -0.233 -0.347 -19.912 1.00 21.23 C ATOM 891 CG1 VAL A 58 -0.237 1.015 -19.234 1.00 60.40 C ATOM 892 CG2 VAL A 58 0.810 -1.260 -19.285 1.00 62.10 C ATOM 0 H VAL A 58 -1.506 -1.780 -21.776 1.00 65.21 H new ATOM 0 HA VAL A 58 -1.755 -1.459 -18.859 1.00 5.23 H new ATOM 0 HB VAL A 58 0.026 -0.203 -20.961 1.00 21.23 H new ATOM 0 HG11 VAL A 58 0.758 1.456 -19.297 1.00 60.40 H new ATOM 0 HG12 VAL A 58 -0.955 1.667 -19.732 1.00 60.40 H new ATOM 0 HG13 VAL A 58 -0.517 0.899 -18.187 1.00 60.40 H new ATOM 0 HG21 VAL A 58 1.791 -0.788 -19.347 1.00 62.10 H new ATOM 0 HG22 VAL A 58 0.557 -1.437 -18.240 1.00 62.10 H new ATOM 0 HG23 VAL A 58 0.830 -2.210 -19.819 1.00 62.10 H new ATOM 902 N LEU A 59 -3.351 0.450 -18.926 1.00 43.45 N ATOM 903 CA LEU A 59 -4.389 1.475 -18.965 1.00 3.33 C ATOM 904 C LEU A 59 -3.788 2.848 -19.250 1.00 32.44 C ATOM 905 O LEU A 59 -2.605 3.095 -19.018 1.00 0.22 O ATOM 906 CB LEU A 59 -5.152 1.505 -17.640 1.00 10.03 C ATOM 907 CG LEU A 59 -6.194 0.404 -17.440 1.00 31.20 C ATOM 908 CD1 LEU A 59 -6.690 0.391 -16.002 1.00 1.22 C ATOM 909 CD2 LEU A 59 -7.356 0.587 -18.405 1.00 65.21 C ATOM 0 H LEU A 59 -3.189 0.049 -18.002 1.00 43.45 H new ATOM 0 HA LEU A 59 -5.080 1.227 -19.770 1.00 3.33 H new ATOM 0 HB2 LEU A 59 -4.429 1.446 -16.826 1.00 10.03 H new ATOM 0 HB3 LEU A 59 -5.651 2.470 -17.553 1.00 10.03 H new ATOM 0 HG LEU A 59 -5.723 -0.556 -17.648 1.00 31.20 H new ATOM 0 HD11 LEU A 59 -7.431 -0.399 -15.880 1.00 1.22 H new ATOM 0 HD12 LEU A 59 -5.852 0.210 -15.330 1.00 1.22 H new ATOM 0 HD13 LEU A 59 -7.144 1.353 -15.765 1.00 1.22 H new ATOM 0 HD21 LEU A 59 -8.088 -0.206 -18.248 1.00 65.21 H new ATOM 0 HD22 LEU A 59 -7.826 1.555 -18.229 1.00 65.21 H new ATOM 0 HD23 LEU A 59 -6.988 0.543 -19.430 1.00 65.21 H new ATOM 921 N PRO A 60 -4.623 3.764 -19.763 1.00 22.42 N ATOM 922 CA PRO A 60 -4.197 5.129 -20.088 1.00 23.21 C ATOM 923 C PRO A 60 -3.899 5.955 -18.842 1.00 51.41 C ATOM 924 O PRO A 60 -3.169 6.943 -18.902 1.00 2.33 O ATOM 925 CB PRO A 60 -5.400 5.706 -20.837 1.00 61.33 C ATOM 926 CG PRO A 60 -6.566 4.922 -20.344 1.00 72.42 C ATOM 927 CD PRO A 60 -6.046 3.538 -20.065 1.00 1.30 C ATOM 0 HA PRO A 60 -3.272 5.141 -20.665 1.00 23.21 H new ATOM 0 HB2 PRO A 60 -5.522 6.769 -20.630 1.00 61.33 H new ATOM 0 HB3 PRO A 60 -5.281 5.603 -21.916 1.00 61.33 H new ATOM 0 HG2 PRO A 60 -6.985 5.370 -19.443 1.00 72.42 H new ATOM 0 HG3 PRO A 60 -7.362 4.897 -21.088 1.00 72.42 H new ATOM 0 HD2 PRO A 60 -6.566 3.074 -19.227 1.00 1.30 H new ATOM 0 HD3 PRO A 60 -6.175 2.879 -20.924 1.00 1.30 H new ATOM 935 N ASN A 61 -4.469 5.543 -17.714 1.00 53.45 N ATOM 936 CA ASN A 61 -4.264 6.247 -16.453 1.00 62.22 C ATOM 937 C ASN A 61 -2.980 5.782 -15.773 1.00 61.23 C ATOM 938 O ASN A 61 -2.629 6.257 -14.694 1.00 54.42 O ATOM 939 CB ASN A 61 -5.457 6.025 -15.521 1.00 11.20 C ATOM 940 CG ASN A 61 -5.943 4.588 -15.537 1.00 72.14 C ATOM 941 OD1 ASN A 61 -5.156 3.656 -15.702 1.00 70.14 O ATOM 942 ND2 ASN A 61 -7.247 4.404 -15.367 1.00 14.24 N ATOM 0 H ASN A 61 -5.076 4.726 -17.647 1.00 53.45 H new ATOM 0 HA ASN A 61 -4.174 7.311 -16.670 1.00 62.22 H new ATOM 0 HB2 ASN A 61 -5.176 6.300 -14.504 1.00 11.20 H new ATOM 0 HB3 ASN A 61 -6.273 6.685 -15.816 1.00 11.20 H new ATOM 0 HD21 ASN A 61 -7.633 3.460 -15.370 1.00 14.24 H new ATOM 0 HD22 ASN A 61 -7.862 5.207 -15.234 1.00 14.24 H new ATOM 949 N GLY A 62 -2.282 4.850 -16.414 1.00 65.01 N ATOM 950 CA GLY A 62 -1.043 4.336 -15.857 1.00 61.24 C ATOM 951 C GLY A 62 -1.257 3.094 -15.016 1.00 34.24 C ATOM 952 O GLY A 62 -0.523 2.849 -14.060 1.00 1.33 O ATOM 0 H GLY A 62 -2.552 4.441 -17.309 1.00 65.01 H new ATOM 0 HA2 GLY A 62 -0.351 4.107 -16.668 1.00 61.24 H new ATOM 0 HA3 GLY A 62 -0.575 5.108 -15.247 1.00 61.24 H new ATOM 956 N SER A 63 -2.269 2.307 -15.371 1.00 42.31 N ATOM 957 CA SER A 63 -2.582 1.086 -14.638 1.00 2.24 C ATOM 958 C SER A 63 -2.319 -0.146 -15.498 1.00 75.42 C ATOM 959 O SER A 63 -1.899 -0.035 -16.650 1.00 63.02 O ATOM 960 CB SER A 63 -4.041 1.101 -14.180 1.00 14.13 C ATOM 961 OG SER A 63 -4.181 1.784 -12.945 1.00 63.20 O ATOM 0 H SER A 63 -2.886 2.494 -16.162 1.00 42.31 H new ATOM 0 HA SER A 63 -1.935 1.041 -13.762 1.00 2.24 H new ATOM 0 HB2 SER A 63 -4.658 1.583 -14.938 1.00 14.13 H new ATOM 0 HB3 SER A 63 -4.404 0.078 -14.077 1.00 14.13 H new ATOM 0 HG SER A 63 -5.123 1.781 -12.675 1.00 63.20 H new ATOM 967 N LEU A 64 -2.571 -1.320 -14.930 1.00 23.15 N ATOM 968 CA LEU A 64 -2.363 -2.575 -15.644 1.00 22.23 C ATOM 969 C LEU A 64 -3.613 -3.446 -15.589 1.00 62.54 C ATOM 970 O LEU A 64 -4.154 -3.710 -14.514 1.00 65.24 O ATOM 971 CB LEU A 64 -1.173 -3.332 -15.048 1.00 73.32 C ATOM 972 CG LEU A 64 -1.161 -4.845 -15.271 1.00 54.42 C ATOM 973 CD1 LEU A 64 -1.100 -5.166 -16.757 1.00 12.15 C ATOM 974 CD2 LEU A 64 0.008 -5.483 -14.536 1.00 64.15 C ATOM 0 H LEU A 64 -2.919 -1.429 -13.978 1.00 23.15 H new ATOM 0 HA LEU A 64 -2.152 -2.341 -16.687 1.00 22.23 H new ATOM 0 HB2 LEU A 64 -0.257 -2.916 -15.467 1.00 73.32 H new ATOM 0 HB3 LEU A 64 -1.148 -3.143 -13.975 1.00 73.32 H new ATOM 0 HG LEU A 64 -2.086 -5.259 -14.870 1.00 54.42 H new ATOM 0 HD11 LEU A 64 -1.092 -6.247 -16.896 1.00 12.15 H new ATOM 0 HD12 LEU A 64 -1.971 -4.742 -17.257 1.00 12.15 H new ATOM 0 HD13 LEU A 64 -0.193 -4.739 -17.185 1.00 12.15 H new ATOM 0 HD21 LEU A 64 0.001 -6.560 -14.706 1.00 64.15 H new ATOM 0 HD22 LEU A 64 0.943 -5.063 -14.906 1.00 64.15 H new ATOM 0 HD23 LEU A 64 -0.081 -5.284 -13.468 1.00 64.15 H new ATOM 986 N PHE A 65 -4.067 -3.894 -16.756 1.00 54.32 N ATOM 987 CA PHE A 65 -5.254 -4.736 -16.841 1.00 73.43 C ATOM 988 C PHE A 65 -4.956 -6.018 -17.613 1.00 22.42 C ATOM 989 O PHE A 65 -4.373 -5.984 -18.697 1.00 3.40 O ATOM 990 CB PHE A 65 -6.398 -3.977 -17.516 1.00 41.33 C ATOM 991 CG PHE A 65 -7.691 -4.741 -17.547 1.00 22.33 C ATOM 992 CD1 PHE A 65 -7.898 -5.740 -18.484 1.00 12.42 C ATOM 993 CD2 PHE A 65 -8.698 -4.461 -16.638 1.00 14.52 C ATOM 994 CE1 PHE A 65 -9.086 -6.446 -18.514 1.00 52.11 C ATOM 995 CE2 PHE A 65 -9.888 -5.164 -16.663 1.00 11.43 C ATOM 996 CZ PHE A 65 -10.082 -6.157 -17.603 1.00 35.11 C ATOM 0 H PHE A 65 -3.631 -3.688 -17.655 1.00 54.32 H new ATOM 0 HA PHE A 65 -5.553 -5.002 -15.827 1.00 73.43 H new ATOM 0 HB2 PHE A 65 -6.555 -3.034 -16.993 1.00 41.33 H new ATOM 0 HB3 PHE A 65 -6.107 -3.731 -18.537 1.00 41.33 H new ATOM 0 HD1 PHE A 65 -7.122 -5.970 -19.199 1.00 12.42 H new ATOM 0 HD2 PHE A 65 -8.552 -3.685 -15.901 1.00 14.52 H new ATOM 0 HE1 PHE A 65 -9.235 -7.223 -19.249 1.00 52.11 H new ATOM 0 HE2 PHE A 65 -10.665 -4.937 -15.948 1.00 11.43 H new ATOM 0 HZ PHE A 65 -11.011 -6.707 -17.625 1.00 35.11 H new ATOM 1006 N LEU A 66 -5.360 -7.150 -17.045 1.00 23.23 N ATOM 1007 CA LEU A 66 -5.136 -8.445 -17.678 1.00 30.34 C ATOM 1008 C LEU A 66 -6.458 -9.097 -18.069 1.00 14.20 C ATOM 1009 O LEU A 66 -7.389 -9.199 -17.269 1.00 22.13 O ATOM 1010 CB LEU A 66 -4.359 -9.368 -16.737 1.00 50.51 C ATOM 1011 CG LEU A 66 -2.950 -8.910 -16.359 1.00 52.31 C ATOM 1012 CD1 LEU A 66 -2.856 -8.653 -14.863 1.00 44.23 C ATOM 1013 CD2 LEU A 66 -1.919 -9.942 -16.791 1.00 70.15 C ATOM 0 H LEU A 66 -5.844 -7.197 -16.148 1.00 23.23 H new ATOM 0 HA LEU A 66 -4.551 -8.282 -18.583 1.00 30.34 H new ATOM 0 HB2 LEU A 66 -4.937 -9.490 -15.821 1.00 50.51 H new ATOM 0 HB3 LEU A 66 -4.287 -10.351 -17.202 1.00 50.51 H new ATOM 0 HG LEU A 66 -2.740 -7.977 -16.881 1.00 52.31 H new ATOM 0 HD11 LEU A 66 -1.846 -8.328 -14.612 1.00 44.23 H new ATOM 0 HD12 LEU A 66 -3.567 -7.877 -14.582 1.00 44.23 H new ATOM 0 HD13 LEU A 66 -3.087 -9.570 -14.321 1.00 44.23 H new ATOM 0 HD21 LEU A 66 -0.922 -9.599 -16.514 1.00 70.15 H new ATOM 0 HD22 LEU A 66 -2.126 -10.892 -16.298 1.00 70.15 H new ATOM 0 HD23 LEU A 66 -1.969 -10.076 -17.872 1.00 70.15 H new ATOM 1025 N PRO A 67 -6.546 -9.549 -19.328 1.00 64.42 N ATOM 1026 CA PRO A 67 -7.749 -10.201 -19.854 1.00 12.13 C ATOM 1027 C PRO A 67 -7.979 -11.577 -19.239 1.00 21.12 C ATOM 1028 O PRO A 67 -9.118 -12.006 -19.060 1.00 70.12 O ATOM 1029 CB PRO A 67 -7.460 -10.326 -21.352 1.00 42.34 C ATOM 1030 CG PRO A 67 -5.974 -10.340 -21.451 1.00 41.53 C ATOM 1031 CD PRO A 67 -5.476 -9.461 -20.337 1.00 40.24 C ATOM 0 HA PRO A 67 -8.652 -9.634 -19.626 1.00 12.13 H new ATOM 0 HB2 PRO A 67 -7.893 -11.238 -21.764 1.00 42.34 H new ATOM 0 HB3 PRO A 67 -7.886 -9.491 -21.908 1.00 42.34 H new ATOM 0 HG2 PRO A 67 -5.586 -11.354 -21.351 1.00 41.53 H new ATOM 0 HG3 PRO A 67 -5.644 -9.966 -22.420 1.00 41.53 H new ATOM 0 HD2 PRO A 67 -4.522 -9.813 -19.943 1.00 40.24 H new ATOM 0 HD3 PRO A 67 -5.323 -8.435 -20.672 1.00 40.24 H new ATOM 1039 N ALA A 68 -6.888 -12.266 -18.917 1.00 52.23 N ATOM 1040 CA ALA A 68 -6.971 -13.593 -18.320 1.00 4.51 C ATOM 1041 C ALA A 68 -5.622 -14.026 -17.756 1.00 64.33 C ATOM 1042 O ALA A 68 -4.737 -14.454 -18.498 1.00 62.11 O ATOM 1043 CB ALA A 68 -7.467 -14.603 -19.344 1.00 43.12 C ATOM 0 H ALA A 68 -5.937 -11.927 -19.060 1.00 52.23 H new ATOM 0 HA ALA A 68 -7.683 -13.550 -17.496 1.00 4.51 H new ATOM 0 HB1 ALA A 68 -7.524 -15.590 -18.884 1.00 43.12 H new ATOM 0 HB2 ALA A 68 -8.456 -14.309 -19.696 1.00 43.12 H new ATOM 0 HB3 ALA A 68 -6.777 -14.635 -20.187 1.00 43.12 H new ATOM 1049 N VAL A 69 -5.470 -13.913 -16.441 1.00 53.22 N ATOM 1050 CA VAL A 69 -4.229 -14.293 -15.778 1.00 71.13 C ATOM 1051 C VAL A 69 -4.077 -15.809 -15.725 1.00 42.31 C ATOM 1052 O VAL A 69 -4.908 -16.507 -15.146 1.00 1.31 O ATOM 1053 CB VAL A 69 -4.163 -13.731 -14.346 1.00 10.44 C ATOM 1054 CG1 VAL A 69 -4.056 -12.214 -14.371 1.00 5.41 C ATOM 1055 CG2 VAL A 69 -5.377 -14.174 -13.543 1.00 22.22 C ATOM 0 H VAL A 69 -6.192 -13.561 -15.813 1.00 53.22 H new ATOM 0 HA VAL A 69 -3.414 -13.869 -16.364 1.00 71.13 H new ATOM 0 HB VAL A 69 -3.270 -14.126 -13.861 1.00 10.44 H new ATOM 0 HG11 VAL A 69 -4.011 -11.836 -13.350 1.00 5.41 H new ATOM 0 HG12 VAL A 69 -3.153 -11.922 -14.907 1.00 5.41 H new ATOM 0 HG13 VAL A 69 -4.928 -11.796 -14.874 1.00 5.41 H new ATOM 0 HG21 VAL A 69 -5.314 -13.768 -12.534 1.00 22.22 H new ATOM 0 HG22 VAL A 69 -6.284 -13.810 -14.025 1.00 22.22 H new ATOM 0 HG23 VAL A 69 -5.404 -15.263 -13.495 1.00 22.22 H new ATOM 1065 N GLY A 70 -3.008 -16.312 -16.335 1.00 63.40 N ATOM 1066 CA GLY A 70 -2.766 -17.743 -16.345 1.00 25.31 C ATOM 1067 C GLY A 70 -1.847 -18.184 -15.222 1.00 62.53 C ATOM 1068 O GLY A 70 -1.145 -17.366 -14.629 1.00 50.34 O ATOM 0 H GLY A 70 -2.306 -15.755 -16.822 1.00 63.40 H new ATOM 0 HA2 GLY A 70 -3.717 -18.270 -16.260 1.00 25.31 H new ATOM 0 HA3 GLY A 70 -2.328 -18.028 -17.302 1.00 25.31 H new ATOM 1072 N ILE A 71 -1.852 -19.480 -14.931 1.00 33.41 N ATOM 1073 CA ILE A 71 -1.014 -20.028 -13.872 1.00 10.44 C ATOM 1074 C ILE A 71 0.450 -19.658 -14.083 1.00 63.52 C ATOM 1075 O ILE A 71 1.209 -19.516 -13.125 1.00 30.25 O ATOM 1076 CB ILE A 71 -1.139 -21.560 -13.789 1.00 74.42 C ATOM 1077 CG1 ILE A 71 -0.923 -22.035 -12.352 1.00 10.33 C ATOM 1078 CG2 ILE A 71 -0.143 -22.224 -14.727 1.00 64.43 C ATOM 1079 CD1 ILE A 71 -0.030 -23.251 -12.245 1.00 11.12 C ATOM 0 H ILE A 71 -2.427 -20.170 -15.414 1.00 33.41 H new ATOM 0 HA ILE A 71 -1.365 -19.593 -12.936 1.00 10.44 H new ATOM 0 HB ILE A 71 -2.145 -21.844 -14.098 1.00 74.42 H new ATOM 0 HG12 ILE A 71 -0.487 -21.222 -11.771 1.00 10.33 H new ATOM 0 HG13 ILE A 71 -1.890 -22.264 -11.904 1.00 10.33 H new ATOM 0 HG21 ILE A 71 -0.244 -23.307 -14.657 1.00 64.43 H new ATOM 0 HG22 ILE A 71 -0.340 -21.907 -15.751 1.00 64.43 H new ATOM 0 HG23 ILE A 71 0.870 -21.935 -14.446 1.00 64.43 H new ATOM 0 HD11 ILE A 71 0.079 -23.532 -11.197 1.00 11.12 H new ATOM 0 HD12 ILE A 71 -0.474 -24.079 -12.798 1.00 11.12 H new ATOM 0 HD13 ILE A 71 0.950 -23.020 -12.662 1.00 11.12 H new ATOM 1091 N GLN A 72 0.839 -19.503 -15.344 1.00 24.51 N ATOM 1092 CA GLN A 72 2.213 -19.150 -15.682 1.00 30.41 C ATOM 1093 C GLN A 72 2.484 -17.678 -15.388 1.00 14.12 C ATOM 1094 O GLN A 72 3.631 -17.275 -15.196 1.00 4.31 O ATOM 1095 CB GLN A 72 2.491 -19.447 -17.156 1.00 62.41 C ATOM 1096 CG GLN A 72 2.755 -20.917 -17.441 1.00 74.44 C ATOM 1097 CD GLN A 72 3.287 -21.154 -18.841 1.00 2.12 C ATOM 1098 OE1 GLN A 72 2.612 -21.744 -19.683 1.00 34.51 O ATOM 1099 NE2 GLN A 72 4.506 -20.692 -19.096 1.00 3.22 N ATOM 0 H GLN A 72 0.222 -19.616 -16.149 1.00 24.51 H new ATOM 0 HA GLN A 72 2.879 -19.754 -15.066 1.00 30.41 H new ATOM 0 HB2 GLN A 72 1.640 -19.117 -17.751 1.00 62.41 H new ATOM 0 HB3 GLN A 72 3.352 -18.862 -17.480 1.00 62.41 H new ATOM 0 HG2 GLN A 72 3.471 -21.301 -16.715 1.00 74.44 H new ATOM 0 HG3 GLN A 72 1.832 -21.481 -17.307 1.00 74.44 H new ATOM 0 HE21 GLN A 72 5.031 -20.208 -18.367 1.00 3.22 H new ATOM 0 HE22 GLN A 72 4.917 -20.821 -20.020 1.00 3.22 H new ATOM 1108 N ASP A 73 1.421 -16.881 -15.356 1.00 4.23 N ATOM 1109 CA ASP A 73 1.544 -15.454 -15.084 1.00 3.20 C ATOM 1110 C ASP A 73 1.721 -15.197 -13.591 1.00 21.15 C ATOM 1111 O ASP A 73 1.932 -14.062 -13.168 1.00 1.14 O ATOM 1112 CB ASP A 73 0.314 -14.706 -15.601 1.00 34.35 C ATOM 1113 CG ASP A 73 -0.542 -14.156 -14.478 1.00 14.35 C ATOM 1114 OD1 ASP A 73 -1.063 -14.962 -13.678 1.00 44.31 O ATOM 1115 OD2 ASP A 73 -0.693 -12.918 -14.398 1.00 3.21 O ATOM 0 H ASP A 73 0.465 -17.199 -15.515 1.00 4.23 H new ATOM 0 HA ASP A 73 2.428 -15.086 -15.604 1.00 3.20 H new ATOM 0 HB2 ASP A 73 0.634 -13.887 -16.245 1.00 34.35 H new ATOM 0 HB3 ASP A 73 -0.285 -15.378 -16.215 1.00 34.35 H new ATOM 1120 N GLU A 74 1.632 -16.261 -12.798 1.00 15.00 N ATOM 1121 CA GLU A 74 1.780 -16.151 -11.352 1.00 74.04 C ATOM 1122 C GLU A 74 3.211 -15.773 -10.979 1.00 52.34 C ATOM 1123 O GLU A 74 4.169 -16.264 -11.573 1.00 54.15 O ATOM 1124 CB GLU A 74 1.396 -17.468 -10.675 1.00 55.32 C ATOM 1125 CG GLU A 74 2.488 -18.522 -10.731 1.00 14.43 C ATOM 1126 CD GLU A 74 2.084 -19.817 -10.050 1.00 51.04 C ATOM 1127 OE1 GLU A 74 2.253 -19.915 -8.818 1.00 12.23 O ATOM 1128 OE2 GLU A 74 1.601 -20.730 -10.752 1.00 14.34 O ATOM 0 H GLU A 74 1.458 -17.209 -13.133 1.00 15.00 H new ATOM 0 HA GLU A 74 1.111 -15.364 -11.003 1.00 74.04 H new ATOM 0 HB2 GLU A 74 1.146 -17.271 -9.633 1.00 55.32 H new ATOM 0 HB3 GLU A 74 0.497 -17.862 -11.150 1.00 55.32 H new ATOM 0 HG2 GLU A 74 2.738 -18.726 -11.772 1.00 14.43 H new ATOM 0 HG3 GLU A 74 3.389 -18.132 -10.257 1.00 14.43 H new ATOM 1135 N GLY A 75 3.346 -14.895 -9.989 1.00 10.22 N ATOM 1136 CA GLY A 75 4.662 -14.465 -9.554 1.00 33.24 C ATOM 1137 C GLY A 75 4.629 -13.128 -8.840 1.00 30.21 C ATOM 1138 O GLY A 75 3.746 -12.877 -8.019 1.00 32.41 O ATOM 0 H GLY A 75 2.568 -14.474 -9.481 1.00 10.22 H new ATOM 0 HA2 GLY A 75 5.085 -15.218 -8.889 1.00 33.24 H new ATOM 0 HA3 GLY A 75 5.322 -14.395 -10.419 1.00 33.24 H new ATOM 1142 N ILE A 76 5.593 -12.269 -9.152 1.00 12.14 N ATOM 1143 CA ILE A 76 5.670 -10.951 -8.534 1.00 23.03 C ATOM 1144 C ILE A 76 5.677 -9.850 -9.588 1.00 51.30 C ATOM 1145 O ILE A 76 6.477 -9.875 -10.523 1.00 2.15 O ATOM 1146 CB ILE A 76 6.928 -10.814 -7.656 1.00 20.01 C ATOM 1147 CG1 ILE A 76 6.842 -11.755 -6.452 1.00 70.30 C ATOM 1148 CG2 ILE A 76 7.100 -9.373 -7.198 1.00 0.25 C ATOM 1149 CD1 ILE A 76 7.531 -13.084 -6.673 1.00 41.51 C ATOM 0 H ILE A 76 6.331 -12.462 -9.829 1.00 12.14 H new ATOM 0 HA ILE A 76 4.785 -10.844 -7.906 1.00 23.03 H new ATOM 0 HB ILE A 76 7.799 -11.093 -8.249 1.00 20.01 H new ATOM 0 HG12 ILE A 76 7.286 -11.265 -5.585 1.00 70.30 H new ATOM 0 HG13 ILE A 76 5.793 -11.934 -6.215 1.00 70.30 H new ATOM 0 HG21 ILE A 76 7.993 -9.292 -6.579 1.00 0.25 H new ATOM 0 HG22 ILE A 76 7.202 -8.724 -8.068 1.00 0.25 H new ATOM 0 HG23 ILE A 76 6.228 -9.069 -6.619 1.00 0.25 H new ATOM 0 HD11 ILE A 76 7.430 -13.699 -5.779 1.00 41.51 H new ATOM 0 HD12 ILE A 76 7.072 -13.595 -7.519 1.00 41.51 H new ATOM 0 HD13 ILE A 76 8.588 -12.916 -6.880 1.00 41.51 H new ATOM 1161 N PHE A 77 4.781 -8.881 -9.429 1.00 74.34 N ATOM 1162 CA PHE A 77 4.683 -7.769 -10.367 1.00 10.22 C ATOM 1163 C PHE A 77 5.274 -6.497 -9.765 1.00 42.41 C ATOM 1164 O PHE A 77 5.007 -6.161 -8.612 1.00 11.13 O ATOM 1165 CB PHE A 77 3.224 -7.531 -10.760 1.00 14.33 C ATOM 1166 CG PHE A 77 2.946 -6.125 -11.210 1.00 14.54 C ATOM 1167 CD1 PHE A 77 3.619 -5.584 -12.292 1.00 63.23 C ATOM 1168 CD2 PHE A 77 2.010 -5.344 -10.549 1.00 72.22 C ATOM 1169 CE1 PHE A 77 3.366 -4.290 -12.708 1.00 75.42 C ATOM 1170 CE2 PHE A 77 1.752 -4.050 -10.960 1.00 34.23 C ATOM 1171 CZ PHE A 77 2.430 -3.523 -12.042 1.00 62.20 C ATOM 0 H PHE A 77 4.113 -8.844 -8.659 1.00 74.34 H new ATOM 0 HA PHE A 77 5.254 -8.028 -11.259 1.00 10.22 H new ATOM 0 HB2 PHE A 77 2.955 -8.220 -11.560 1.00 14.33 H new ATOM 0 HB3 PHE A 77 2.584 -7.765 -9.909 1.00 14.33 H new ATOM 0 HD1 PHE A 77 4.351 -6.180 -12.818 1.00 63.23 H new ATOM 0 HD2 PHE A 77 1.476 -5.752 -9.703 1.00 72.22 H new ATOM 0 HE1 PHE A 77 3.899 -3.879 -13.553 1.00 75.42 H new ATOM 0 HE2 PHE A 77 1.021 -3.452 -10.436 1.00 34.23 H new ATOM 0 HZ PHE A 77 2.229 -2.513 -12.367 1.00 62.20 H new ATOM 1181 N ARG A 78 6.079 -5.794 -10.555 1.00 23.41 N ATOM 1182 CA ARG A 78 6.710 -4.561 -10.101 1.00 54.42 C ATOM 1183 C ARG A 78 6.456 -3.424 -11.088 1.00 22.25 C ATOM 1184 O ARG A 78 6.494 -3.623 -12.302 1.00 34.31 O ATOM 1185 CB ARG A 78 8.214 -4.768 -9.921 1.00 42.53 C ATOM 1186 CG ARG A 78 8.572 -6.085 -9.252 1.00 12.01 C ATOM 1187 CD ARG A 78 9.470 -6.933 -10.137 1.00 23.54 C ATOM 1188 NE ARG A 78 10.872 -6.853 -9.731 1.00 63.54 N ATOM 1189 CZ ARG A 78 11.889 -7.077 -10.556 1.00 61.14 C ATOM 1190 NH1 ARG A 78 11.662 -7.394 -11.824 1.00 62.01 N ATOM 1191 NH2 ARG A 78 13.136 -6.984 -10.113 1.00 21.24 N ATOM 0 H ARG A 78 6.310 -6.058 -11.513 1.00 23.41 H new ATOM 0 HA ARG A 78 6.271 -4.291 -9.141 1.00 54.42 H new ATOM 0 HB2 ARG A 78 8.698 -4.723 -10.897 1.00 42.53 H new ATOM 0 HB3 ARG A 78 8.617 -3.947 -9.327 1.00 42.53 H new ATOM 0 HG2 ARG A 78 9.074 -5.888 -8.305 1.00 12.01 H new ATOM 0 HG3 ARG A 78 7.661 -6.637 -9.021 1.00 12.01 H new ATOM 0 HD2 ARG A 78 9.140 -7.971 -10.099 1.00 23.54 H new ATOM 0 HD3 ARG A 78 9.373 -6.605 -11.172 1.00 23.54 H new ATOM 0 HE ARG A 78 11.081 -6.612 -8.762 1.00 63.54 H new ATOM 0 HH11 ARG A 78 10.705 -7.466 -12.168 1.00 62.01 H new ATOM 0 HH12 ARG A 78 12.445 -7.565 -12.455 1.00 62.01 H new ATOM 0 HH21 ARG A 78 13.314 -6.740 -9.139 1.00 21.24 H new ATOM 0 HH22 ARG A 78 13.917 -7.156 -10.747 1.00 21.24 H new ATOM 1205 N CYS A 79 6.197 -2.234 -10.557 1.00 62.02 N ATOM 1206 CA CYS A 79 5.937 -1.066 -11.391 1.00 12.21 C ATOM 1207 C CYS A 79 6.864 0.086 -11.017 1.00 41.01 C ATOM 1208 O CYS A 79 7.362 0.156 -9.893 1.00 73.45 O ATOM 1209 CB CYS A 79 4.478 -0.627 -11.248 1.00 71.41 C ATOM 1210 SG CYS A 79 3.731 -0.018 -12.793 1.00 52.44 S ATOM 0 H CYS A 79 6.161 -2.053 -9.554 1.00 62.02 H new ATOM 0 HA CYS A 79 6.128 -1.341 -12.428 1.00 12.21 H new ATOM 0 HB2 CYS A 79 3.891 -1.468 -10.880 1.00 71.41 H new ATOM 0 HB3 CYS A 79 4.418 0.158 -10.494 1.00 71.41 H new ATOM 1215 N GLN A 80 7.092 0.988 -11.967 1.00 62.20 N ATOM 1216 CA GLN A 80 7.960 2.137 -11.738 1.00 32.12 C ATOM 1217 C GLN A 80 7.375 3.396 -12.368 1.00 73.41 C ATOM 1218 O GLN A 80 6.949 3.383 -13.523 1.00 51.14 O ATOM 1219 CB GLN A 80 9.355 1.870 -12.304 1.00 60.42 C ATOM 1220 CG GLN A 80 9.982 3.080 -12.977 1.00 55.42 C ATOM 1221 CD GLN A 80 11.445 2.871 -13.311 1.00 13.11 C ATOM 1222 OE1 GLN A 80 12.297 2.834 -12.422 1.00 63.42 O ATOM 1223 NE2 GLN A 80 11.745 2.733 -14.597 1.00 42.23 N ATOM 0 H GLN A 80 6.688 0.945 -12.902 1.00 62.20 H new ATOM 0 HA GLN A 80 8.036 2.294 -10.662 1.00 32.12 H new ATOM 0 HB2 GLN A 80 10.007 1.535 -11.497 1.00 60.42 H new ATOM 0 HB3 GLN A 80 9.295 1.054 -13.025 1.00 60.42 H new ATOM 0 HG2 GLN A 80 9.434 3.307 -13.891 1.00 55.42 H new ATOM 0 HG3 GLN A 80 9.883 3.946 -12.323 1.00 55.42 H new ATOM 0 HE21 GLN A 80 11.007 2.770 -15.300 1.00 42.23 H new ATOM 0 HE22 GLN A 80 12.714 2.590 -14.882 1.00 42.23 H new ATOM 1232 N ALA A 81 7.356 4.481 -11.602 1.00 53.23 N ATOM 1233 CA ALA A 81 6.824 5.749 -12.087 1.00 10.21 C ATOM 1234 C ALA A 81 7.781 6.898 -11.785 1.00 24.23 C ATOM 1235 O ALA A 81 8.683 6.765 -10.958 1.00 32.33 O ATOM 1236 CB ALA A 81 5.461 6.020 -11.468 1.00 75.51 C ATOM 0 H ALA A 81 7.703 4.508 -10.643 1.00 53.23 H new ATOM 0 HA ALA A 81 6.713 5.678 -13.169 1.00 10.21 H new ATOM 0 HB1 ALA A 81 5.075 6.970 -11.839 1.00 75.51 H new ATOM 0 HB2 ALA A 81 4.773 5.219 -11.738 1.00 75.51 H new ATOM 0 HB3 ALA A 81 5.557 6.066 -10.383 1.00 75.51 H new ATOM 1242 N MET A 82 7.580 8.023 -12.461 1.00 60.24 N ATOM 1243 CA MET A 82 8.426 9.195 -12.264 1.00 35.22 C ATOM 1244 C MET A 82 7.580 10.439 -12.012 1.00 0.41 C ATOM 1245 O MET A 82 6.708 10.780 -12.809 1.00 61.22 O ATOM 1246 CB MET A 82 9.324 9.412 -13.483 1.00 40.03 C ATOM 1247 CG MET A 82 10.074 10.734 -13.457 1.00 44.41 C ATOM 1248 SD MET A 82 11.675 10.640 -14.282 1.00 51.33 S ATOM 1249 CE MET A 82 12.667 9.862 -13.009 1.00 52.04 C ATOM 0 H MET A 82 6.839 8.149 -13.150 1.00 60.24 H new ATOM 0 HA MET A 82 9.051 9.019 -11.388 1.00 35.22 H new ATOM 0 HB2 MET A 82 10.044 8.596 -13.543 1.00 40.03 H new ATOM 0 HB3 MET A 82 8.715 9.367 -14.386 1.00 40.03 H new ATOM 0 HG2 MET A 82 9.467 11.501 -13.937 1.00 44.41 H new ATOM 0 HG3 MET A 82 10.220 11.044 -12.422 1.00 44.41 H new ATOM 0 HE1 MET A 82 13.512 10.505 -12.762 1.00 52.04 H new ATOM 0 HE2 MET A 82 12.058 9.705 -12.119 1.00 52.04 H new ATOM 0 HE3 MET A 82 13.035 8.902 -13.371 1.00 52.04 H new ATOM 1259 N ASN A 83 7.845 11.113 -10.898 1.00 43.42 N ATOM 1260 CA ASN A 83 7.108 12.321 -10.541 1.00 30.24 C ATOM 1261 C ASN A 83 7.751 13.555 -11.166 1.00 15.54 C ATOM 1262 O ASN A 83 8.829 13.476 -11.754 1.00 22.13 O ATOM 1263 CB ASN A 83 7.049 12.476 -9.020 1.00 32.32 C ATOM 1264 CG ASN A 83 5.916 11.680 -8.401 1.00 60.14 C ATOM 1265 OD1 ASN A 83 4.883 12.236 -8.029 1.00 0.04 O ATOM 1266 ND2 ASN A 83 6.106 10.371 -8.288 1.00 60.20 N ATOM 0 H ASN A 83 8.564 10.844 -10.227 1.00 43.42 H new ATOM 0 HA ASN A 83 6.094 12.227 -10.929 1.00 30.24 H new ATOM 0 HB2 ASN A 83 7.996 12.152 -8.588 1.00 32.32 H new ATOM 0 HB3 ASN A 83 6.928 13.530 -8.769 1.00 32.32 H new ATOM 0 HD21 ASN A 83 5.379 9.784 -7.879 1.00 60.20 H new ATOM 0 HD22 ASN A 83 6.979 9.953 -8.610 1.00 60.20 H new ATOM 1273 N ARG A 84 7.081 14.696 -11.031 1.00 71.41 N ATOM 1274 CA ARG A 84 7.586 15.947 -11.583 1.00 2.54 C ATOM 1275 C ARG A 84 8.798 16.438 -10.795 1.00 51.22 C ATOM 1276 O ARG A 84 9.565 17.272 -11.274 1.00 74.31 O ATOM 1277 CB ARG A 84 6.490 17.014 -11.569 1.00 20.10 C ATOM 1278 CG ARG A 84 5.582 16.970 -12.787 1.00 63.42 C ATOM 1279 CD ARG A 84 4.210 17.549 -12.481 1.00 52.12 C ATOM 1280 NE ARG A 84 3.759 18.470 -13.522 1.00 23.45 N ATOM 1281 CZ ARG A 84 4.298 19.666 -13.728 1.00 70.35 C ATOM 1282 NH1 ARG A 84 5.302 20.084 -12.970 1.00 52.34 N ATOM 1283 NH2 ARG A 84 3.833 20.446 -14.696 1.00 3.03 N ATOM 0 H ARG A 84 6.188 14.779 -10.545 1.00 71.41 H new ATOM 0 HA ARG A 84 7.893 15.764 -12.613 1.00 2.54 H new ATOM 0 HB2 ARG A 84 5.885 16.890 -10.671 1.00 20.10 H new ATOM 0 HB3 ARG A 84 6.954 17.998 -11.507 1.00 20.10 H new ATOM 0 HG2 ARG A 84 6.040 17.528 -13.604 1.00 63.42 H new ATOM 0 HG3 ARG A 84 5.476 15.939 -13.126 1.00 63.42 H new ATOM 0 HD2 ARG A 84 3.489 16.738 -12.378 1.00 52.12 H new ATOM 0 HD3 ARG A 84 4.242 18.071 -11.525 1.00 52.12 H new ATOM 0 HE ARG A 84 2.988 18.178 -14.123 1.00 23.45 H new ATOM 0 HH11 ARG A 84 5.663 19.486 -12.226 1.00 52.34 H new ATOM 0 HH12 ARG A 84 5.714 21.003 -13.131 1.00 52.34 H new ATOM 0 HH21 ARG A 84 3.061 20.127 -15.282 1.00 3.03 H new ATOM 0 HH22 ARG A 84 4.247 21.365 -14.854 1.00 3.03 H new ATOM 1297 N ASN A 85 8.962 15.914 -9.585 1.00 62.00 N ATOM 1298 CA ASN A 85 10.080 16.299 -8.731 1.00 3.42 C ATOM 1299 C ASN A 85 11.388 15.703 -9.244 1.00 53.43 C ATOM 1300 O ASN A 85 12.471 16.180 -8.911 1.00 45.12 O ATOM 1301 CB ASN A 85 9.829 15.845 -7.291 1.00 65.43 C ATOM 1302 CG ASN A 85 8.922 16.795 -6.535 1.00 73.04 C ATOM 1303 OD1 ASN A 85 9.389 17.672 -5.808 1.00 21.11 O ATOM 1304 ND2 ASN A 85 7.615 16.625 -6.703 1.00 22.12 N ATOM 0 H ASN A 85 8.336 15.222 -9.174 1.00 62.00 H new ATOM 0 HA ASN A 85 10.164 17.386 -8.753 1.00 3.42 H new ATOM 0 HB2 ASN A 85 9.383 14.850 -7.299 1.00 65.43 H new ATOM 0 HB3 ASN A 85 10.782 15.763 -6.768 1.00 65.43 H new ATOM 0 HD21 ASN A 85 6.955 17.234 -6.220 1.00 22.12 H new ATOM 0 HD22 ASN A 85 7.271 15.885 -7.315 1.00 22.12 H new ATOM 1311 N GLY A 86 11.277 14.659 -10.058 1.00 35.44 N ATOM 1312 CA GLY A 86 12.457 14.014 -10.605 1.00 13.41 C ATOM 1313 C GLY A 86 12.699 12.643 -10.007 1.00 13.15 C ATOM 1314 O GLY A 86 13.429 11.830 -10.573 1.00 11.42 O ATOM 0 H GLY A 86 10.390 14.247 -10.349 1.00 35.44 H new ATOM 0 HA2 GLY A 86 12.348 13.921 -11.686 1.00 13.41 H new ATOM 0 HA3 GLY A 86 13.328 14.644 -10.425 1.00 13.41 H new ATOM 1318 N LYS A 87 12.085 12.384 -8.856 1.00 21.04 N ATOM 1319 CA LYS A 87 12.237 11.101 -8.180 1.00 11.42 C ATOM 1320 C LYS A 87 11.252 10.076 -8.730 1.00 35.52 C ATOM 1321 O LYS A 87 10.145 10.423 -9.141 1.00 4.02 O ATOM 1322 CB LYS A 87 12.026 11.269 -6.673 1.00 13.41 C ATOM 1323 CG LYS A 87 10.708 11.933 -6.313 1.00 74.43 C ATOM 1324 CD LYS A 87 10.579 12.142 -4.813 1.00 44.03 C ATOM 1325 CE LYS A 87 11.739 12.960 -4.263 1.00 60.40 C ATOM 1326 NZ LYS A 87 11.267 14.108 -3.441 1.00 62.10 N ATOM 0 H LYS A 87 11.478 13.046 -8.373 1.00 21.04 H new ATOM 0 HA LYS A 87 13.249 10.740 -8.362 1.00 11.42 H new ATOM 0 HB2 LYS A 87 12.072 10.290 -6.197 1.00 13.41 H new ATOM 0 HB3 LYS A 87 12.845 11.861 -6.264 1.00 13.41 H new ATOM 0 HG2 LYS A 87 10.633 12.894 -6.823 1.00 74.43 H new ATOM 0 HG3 LYS A 87 9.881 11.318 -6.668 1.00 74.43 H new ATOM 0 HD2 LYS A 87 9.639 12.649 -4.595 1.00 44.03 H new ATOM 0 HD3 LYS A 87 10.544 11.175 -4.311 1.00 44.03 H new ATOM 0 HE2 LYS A 87 12.380 12.319 -3.658 1.00 60.40 H new ATOM 0 HE3 LYS A 87 12.346 13.330 -5.089 1.00 60.40 H new ATOM 0 HZ1 LYS A 87 12.087 14.640 -3.085 1.00 62.10 H new ATOM 0 HZ2 LYS A 87 10.676 14.733 -4.025 1.00 62.10 H new ATOM 0 HZ3 LYS A 87 10.709 13.754 -2.638 1.00 62.10 H new ATOM 1340 N GLU A 88 11.662 8.811 -8.735 1.00 4.33 N ATOM 1341 CA GLU A 88 10.815 7.735 -9.235 1.00 73.24 C ATOM 1342 C GLU A 88 10.220 6.930 -8.083 1.00 44.41 C ATOM 1343 O GLU A 88 10.870 6.717 -7.059 1.00 74.33 O ATOM 1344 CB GLU A 88 11.615 6.812 -10.157 1.00 72.04 C ATOM 1345 CG GLU A 88 12.361 5.714 -9.421 1.00 11.14 C ATOM 1346 CD GLU A 88 13.328 6.258 -8.387 1.00 24.41 C ATOM 1347 OE1 GLU A 88 14.104 7.176 -8.727 1.00 3.32 O ATOM 1348 OE2 GLU A 88 13.311 5.765 -7.240 1.00 55.20 O ATOM 0 H GLU A 88 12.576 8.507 -8.398 1.00 4.33 H new ATOM 0 HA GLU A 88 9.999 8.184 -9.801 1.00 73.24 H new ATOM 0 HB2 GLU A 88 10.937 6.358 -10.879 1.00 72.04 H new ATOM 0 HB3 GLU A 88 12.330 7.409 -10.723 1.00 72.04 H new ATOM 0 HG2 GLU A 88 11.642 5.057 -8.931 1.00 11.14 H new ATOM 0 HG3 GLU A 88 12.909 5.106 -10.141 1.00 11.14 H new ATOM 1355 N THR A 89 8.980 6.485 -8.258 1.00 61.14 N ATOM 1356 CA THR A 89 8.296 5.706 -7.234 1.00 62.14 C ATOM 1357 C THR A 89 8.253 4.228 -7.605 1.00 70.24 C ATOM 1358 O THR A 89 7.930 3.872 -8.739 1.00 31.13 O ATOM 1359 CB THR A 89 6.858 6.210 -7.011 1.00 51.41 C ATOM 1360 OG1 THR A 89 6.765 7.595 -7.360 1.00 71.05 O ATOM 1361 CG2 THR A 89 6.435 6.017 -5.563 1.00 2.32 C ATOM 0 H THR A 89 8.429 6.651 -9.100 1.00 61.14 H new ATOM 0 HA THR A 89 8.863 5.830 -6.311 1.00 62.14 H new ATOM 0 HB THR A 89 6.190 5.630 -7.648 1.00 51.41 H new ATOM 0 HG1 THR A 89 5.847 7.907 -7.217 1.00 71.05 H new ATOM 0 HG21 THR A 89 5.416 6.380 -5.430 1.00 2.32 H new ATOM 0 HG22 THR A 89 6.479 4.958 -5.309 1.00 2.32 H new ATOM 0 HG23 THR A 89 7.107 6.574 -4.910 1.00 2.32 H new ATOM 1369 N LYS A 90 8.578 3.371 -6.644 1.00 60.30 N ATOM 1370 CA LYS A 90 8.575 1.930 -6.869 1.00 12.52 C ATOM 1371 C LYS A 90 7.365 1.279 -6.207 1.00 54.21 C ATOM 1372 O LYS A 90 6.932 1.699 -5.134 1.00 32.25 O ATOM 1373 CB LYS A 90 9.862 1.306 -6.327 1.00 4.11 C ATOM 1374 CG LYS A 90 10.410 2.010 -5.098 1.00 12.14 C ATOM 1375 CD LYS A 90 11.363 3.132 -5.476 1.00 74.14 C ATOM 1376 CE LYS A 90 12.563 2.608 -6.250 1.00 13.05 C ATOM 1377 NZ LYS A 90 13.169 1.416 -5.592 1.00 52.42 N ATOM 0 H LYS A 90 8.847 3.649 -5.700 1.00 60.30 H new ATOM 0 HA LYS A 90 8.518 1.755 -7.943 1.00 12.52 H new ATOM 0 HB2 LYS A 90 9.674 0.261 -6.083 1.00 4.11 H new ATOM 0 HB3 LYS A 90 10.620 1.319 -7.110 1.00 4.11 H new ATOM 0 HG2 LYS A 90 9.585 2.414 -4.511 1.00 12.14 H new ATOM 0 HG3 LYS A 90 10.928 1.289 -4.465 1.00 12.14 H new ATOM 0 HD2 LYS A 90 10.835 3.872 -6.078 1.00 74.14 H new ATOM 0 HD3 LYS A 90 11.704 3.640 -4.574 1.00 74.14 H new ATOM 0 HE2 LYS A 90 12.256 2.347 -7.263 1.00 13.05 H new ATOM 0 HE3 LYS A 90 13.312 3.395 -6.336 1.00 13.05 H new ATOM 0 HZ1 LYS A 90 14.189 1.388 -5.795 1.00 52.42 H new ATOM 0 HZ2 LYS A 90 13.022 1.475 -4.564 1.00 52.42 H new ATOM 0 HZ3 LYS A 90 12.720 0.552 -5.957 1.00 52.42 H new ATOM 1391 N SER A 91 6.822 0.253 -6.854 1.00 64.35 N ATOM 1392 CA SER A 91 5.660 -0.454 -6.329 1.00 24.41 C ATOM 1393 C SER A 91 5.734 -1.941 -6.661 1.00 32.40 C ATOM 1394 O SER A 91 5.913 -2.322 -7.817 1.00 72.42 O ATOM 1395 CB SER A 91 4.372 0.144 -6.900 1.00 4.01 C ATOM 1396 OG SER A 91 3.236 -0.578 -6.458 1.00 52.21 O ATOM 0 H SER A 91 7.168 -0.107 -7.743 1.00 64.35 H new ATOM 0 HA SER A 91 5.655 -0.341 -5.245 1.00 24.41 H new ATOM 0 HB2 SER A 91 4.285 1.187 -6.595 1.00 4.01 H new ATOM 0 HB3 SER A 91 4.413 0.132 -7.989 1.00 4.01 H new ATOM 0 HG SER A 91 2.597 -0.666 -7.196 1.00 52.21 H new ATOM 1402 N ASN A 92 5.594 -2.778 -5.637 1.00 41.44 N ATOM 1403 CA ASN A 92 5.645 -4.223 -5.819 1.00 73.44 C ATOM 1404 C ASN A 92 4.338 -4.874 -5.377 1.00 34.23 C ATOM 1405 O ASN A 92 3.875 -4.662 -4.255 1.00 51.22 O ATOM 1406 CB ASN A 92 6.815 -4.816 -5.031 1.00 72.20 C ATOM 1407 CG ASN A 92 6.543 -6.236 -4.572 1.00 74.24 C ATOM 1408 OD1 ASN A 92 6.681 -6.555 -3.392 1.00 1.04 O ATOM 1409 ND2 ASN A 92 6.152 -7.095 -5.507 1.00 4.21 N ATOM 0 H ASN A 92 5.444 -2.479 -4.673 1.00 41.44 H new ATOM 0 HA ASN A 92 5.790 -4.425 -6.880 1.00 73.44 H new ATOM 0 HB2 ASN A 92 7.711 -4.803 -5.652 1.00 72.20 H new ATOM 0 HB3 ASN A 92 7.019 -4.189 -4.163 1.00 72.20 H new ATOM 0 HD21 ASN A 92 5.953 -8.064 -5.258 1.00 4.21 H new ATOM 0 HD22 ASN A 92 6.051 -6.786 -6.474 1.00 4.21 H new ATOM 1416 N TYR A 93 3.747 -5.666 -6.264 1.00 1.11 N ATOM 1417 CA TYR A 93 2.492 -6.346 -5.966 1.00 61.51 C ATOM 1418 C TYR A 93 2.606 -7.842 -6.240 1.00 34.24 C ATOM 1419 O TYR A 93 2.869 -8.261 -7.368 1.00 54.33 O ATOM 1420 CB TYR A 93 1.355 -5.749 -6.796 1.00 62.45 C ATOM 1421 CG TYR A 93 0.711 -4.538 -6.160 1.00 1.41 C ATOM 1422 CD1 TYR A 93 1.418 -3.351 -6.007 1.00 33.22 C ATOM 1423 CD2 TYR A 93 -0.603 -4.580 -5.712 1.00 70.22 C ATOM 1424 CE1 TYR A 93 0.834 -2.243 -5.425 1.00 21.31 C ATOM 1425 CE2 TYR A 93 -1.196 -3.476 -5.131 1.00 11.03 C ATOM 1426 CZ TYR A 93 -0.473 -2.310 -4.988 1.00 71.35 C ATOM 1427 OH TYR A 93 -1.058 -1.207 -4.409 1.00 61.24 O ATOM 0 H TYR A 93 4.117 -5.853 -7.196 1.00 1.11 H new ATOM 0 HA TYR A 93 2.273 -6.204 -4.908 1.00 61.51 H new ATOM 0 HB2 TYR A 93 1.740 -5.472 -7.777 1.00 62.45 H new ATOM 0 HB3 TYR A 93 0.594 -6.513 -6.956 1.00 62.45 H new ATOM 0 HD1 TYR A 93 2.441 -3.294 -6.349 1.00 33.22 H new ATOM 0 HD2 TYR A 93 -1.171 -5.492 -5.820 1.00 70.22 H new ATOM 0 HE1 TYR A 93 1.398 -1.329 -5.313 1.00 21.31 H new ATOM 0 HE2 TYR A 93 -2.220 -3.525 -4.791 1.00 11.03 H new ATOM 0 HH TYR A 93 -1.541 -1.479 -3.601 1.00 61.24 H new ATOM 1437 N ARG A 94 2.404 -8.645 -5.199 1.00 53.23 N ATOM 1438 CA ARG A 94 2.483 -10.095 -5.326 1.00 43.51 C ATOM 1439 C ARG A 94 1.163 -10.670 -5.830 1.00 4.25 C ATOM 1440 O ARG A 94 0.095 -10.351 -5.307 1.00 43.31 O ATOM 1441 CB ARG A 94 2.847 -10.727 -3.980 1.00 43.23 C ATOM 1442 CG ARG A 94 4.111 -10.153 -3.360 1.00 75.02 C ATOM 1443 CD ARG A 94 3.834 -9.547 -1.993 1.00 21.23 C ATOM 1444 NE ARG A 94 4.075 -10.501 -0.913 1.00 3.14 N ATOM 1445 CZ ARG A 94 5.286 -10.909 -0.550 1.00 24.21 C ATOM 1446 NH1 ARG A 94 6.360 -10.448 -1.177 1.00 31.53 N ATOM 1447 NH2 ARG A 94 5.426 -11.779 0.442 1.00 70.12 N ATOM 0 H ARG A 94 2.185 -8.315 -4.259 1.00 53.23 H new ATOM 0 HA ARG A 94 3.261 -10.329 -6.052 1.00 43.51 H new ATOM 0 HB2 ARG A 94 2.017 -10.589 -3.287 1.00 43.23 H new ATOM 0 HB3 ARG A 94 2.974 -11.801 -4.115 1.00 43.23 H new ATOM 0 HG2 ARG A 94 4.861 -10.939 -3.266 1.00 75.02 H new ATOM 0 HG3 ARG A 94 4.528 -9.392 -4.019 1.00 75.02 H new ATOM 0 HD2 ARG A 94 4.466 -8.670 -1.850 1.00 21.23 H new ATOM 0 HD3 ARG A 94 2.800 -9.205 -1.951 1.00 21.23 H new ATOM 0 HE ARG A 94 3.270 -10.874 -0.410 1.00 3.14 H new ATOM 0 HH11 ARG A 94 6.257 -9.779 -1.940 1.00 31.53 H new ATOM 0 HH12 ARG A 94 7.289 -10.763 -0.896 1.00 31.53 H new ATOM 0 HH21 ARG A 94 4.603 -12.136 0.927 1.00 70.12 H new ATOM 0 HH22 ARG A 94 6.357 -12.091 0.719 1.00 70.12 H new ATOM 1461 N VAL A 95 1.244 -11.520 -6.849 1.00 23.15 N ATOM 1462 CA VAL A 95 0.056 -12.140 -7.423 1.00 21.04 C ATOM 1463 C VAL A 95 0.127 -13.660 -7.324 1.00 3.14 C ATOM 1464 O VAL A 95 1.165 -14.263 -7.598 1.00 51.03 O ATOM 1465 CB VAL A 95 -0.127 -11.742 -8.899 1.00 33.20 C ATOM 1466 CG1 VAL A 95 -1.254 -12.543 -9.533 1.00 22.22 C ATOM 1467 CG2 VAL A 95 -0.392 -10.249 -9.018 1.00 11.50 C ATOM 0 H VAL A 95 2.120 -11.795 -7.294 1.00 23.15 H new ATOM 0 HA VAL A 95 -0.797 -11.780 -6.848 1.00 21.04 H new ATOM 0 HB VAL A 95 0.794 -11.969 -9.435 1.00 33.20 H new ATOM 0 HG11 VAL A 95 -1.368 -12.248 -10.576 1.00 22.22 H new ATOM 0 HG12 VAL A 95 -1.019 -13.606 -9.480 1.00 22.22 H new ATOM 0 HG13 VAL A 95 -2.184 -12.350 -8.997 1.00 22.22 H new ATOM 0 HG21 VAL A 95 -0.519 -9.985 -10.068 1.00 11.50 H new ATOM 0 HG22 VAL A 95 -1.298 -9.995 -8.468 1.00 11.50 H new ATOM 0 HG23 VAL A 95 0.451 -9.696 -8.604 1.00 11.50 H new ATOM 1477 N ARG A 96 -0.984 -14.274 -6.929 1.00 32.45 N ATOM 1478 CA ARG A 96 -1.048 -15.725 -6.793 1.00 1.20 C ATOM 1479 C ARG A 96 -2.283 -16.283 -7.493 1.00 41.31 C ATOM 1480 O ARG A 96 -3.401 -15.824 -7.260 1.00 34.21 O ATOM 1481 CB ARG A 96 -1.064 -16.119 -5.315 1.00 2.02 C ATOM 1482 CG ARG A 96 -0.030 -17.173 -4.953 1.00 51.24 C ATOM 1483 CD ARG A 96 -0.384 -18.527 -5.547 1.00 31.23 C ATOM 1484 NE ARG A 96 0.123 -19.630 -4.735 1.00 43.54 N ATOM 1485 CZ ARG A 96 -0.380 -19.963 -3.552 1.00 21.13 C ATOM 1486 NH1 ARG A 96 -1.400 -19.282 -3.046 1.00 24.02 N ATOM 1487 NH2 ARG A 96 0.135 -20.980 -2.873 1.00 4.33 N ATOM 0 H ARG A 96 -1.851 -13.790 -6.698 1.00 32.45 H new ATOM 0 HA ARG A 96 -0.162 -16.149 -7.266 1.00 1.20 H new ATOM 0 HB2 ARG A 96 -0.891 -15.230 -4.709 1.00 2.02 H new ATOM 0 HB3 ARG A 96 -2.055 -16.492 -5.058 1.00 2.02 H new ATOM 0 HG2 ARG A 96 0.950 -16.861 -5.313 1.00 51.24 H new ATOM 0 HG3 ARG A 96 0.041 -17.257 -3.869 1.00 51.24 H new ATOM 0 HD2 ARG A 96 -1.467 -18.611 -5.637 1.00 31.23 H new ATOM 0 HD3 ARG A 96 0.027 -18.600 -6.554 1.00 31.23 H new ATOM 0 HE ARG A 96 0.906 -20.174 -5.096 1.00 43.54 H new ATOM 0 HH11 ARG A 96 -1.800 -18.501 -3.566 1.00 24.02 H new ATOM 0 HH12 ARG A 96 -1.785 -19.540 -2.137 1.00 24.02 H new ATOM 0 HH21 ARG A 96 0.918 -21.507 -3.260 1.00 4.33 H new ATOM 0 HH22 ARG A 96 -0.252 -21.235 -1.964 1.00 4.33 H new ATOM 1501 N VAL A 97 -2.072 -17.275 -8.352 1.00 52.35 N ATOM 1502 CA VAL A 97 -3.168 -17.896 -9.086 1.00 33.52 C ATOM 1503 C VAL A 97 -3.676 -19.140 -8.366 1.00 51.30 C ATOM 1504 O VAL A 97 -3.205 -19.477 -7.280 1.00 32.32 O ATOM 1505 CB VAL A 97 -2.740 -18.281 -10.514 1.00 63.53 C ATOM 1506 CG1 VAL A 97 -2.105 -17.093 -11.221 1.00 31.31 C ATOM 1507 CG2 VAL A 97 -1.785 -19.466 -10.483 1.00 10.32 C ATOM 0 H VAL A 97 -1.152 -17.666 -8.557 1.00 52.35 H new ATOM 0 HA VAL A 97 -3.969 -17.159 -9.142 1.00 33.52 H new ATOM 0 HB VAL A 97 -3.628 -18.574 -11.074 1.00 63.53 H new ATOM 0 HG11 VAL A 97 -1.809 -17.385 -12.229 1.00 31.31 H new ATOM 0 HG12 VAL A 97 -2.824 -16.276 -11.276 1.00 31.31 H new ATOM 0 HG13 VAL A 97 -1.226 -16.766 -10.665 1.00 31.31 H new ATOM 0 HG21 VAL A 97 -1.493 -19.725 -11.501 1.00 10.32 H new ATOM 0 HG22 VAL A 97 -0.898 -19.203 -9.906 1.00 10.32 H new ATOM 0 HG23 VAL A 97 -2.279 -20.320 -10.020 1.00 10.32 H new ATOM 1517 N TYR A 98 -4.639 -19.819 -8.979 1.00 52.23 N ATOM 1518 CA TYR A 98 -5.214 -21.026 -8.395 1.00 71.51 C ATOM 1519 C TYR A 98 -4.178 -22.144 -8.326 1.00 42.24 C ATOM 1520 O TYR A 98 -3.559 -22.367 -7.287 1.00 3.11 O ATOM 1521 CB TYR A 98 -6.424 -21.486 -9.211 1.00 22.14 C ATOM 1522 CG TYR A 98 -6.980 -22.821 -8.769 1.00 0.03 C ATOM 1523 CD1 TYR A 98 -7.129 -23.120 -7.420 1.00 60.40 C ATOM 1524 CD2 TYR A 98 -7.355 -23.782 -9.699 1.00 2.54 C ATOM 1525 CE1 TYR A 98 -7.635 -24.339 -7.011 1.00 53.42 C ATOM 1526 CE2 TYR A 98 -7.864 -25.002 -9.299 1.00 24.31 C ATOM 1527 CZ TYR A 98 -8.002 -25.276 -7.954 1.00 21.30 C ATOM 1528 OH TYR A 98 -8.507 -26.491 -7.552 1.00 55.13 O ATOM 0 H TYR A 98 -5.038 -19.555 -9.880 1.00 52.23 H new ATOM 0 HA TYR A 98 -5.536 -20.791 -7.381 1.00 71.51 H new ATOM 0 HB2 TYR A 98 -7.209 -20.733 -9.138 1.00 22.14 H new ATOM 0 HB3 TYR A 98 -6.140 -21.550 -10.261 1.00 22.14 H new ATOM 0 HD1 TYR A 98 -6.845 -22.387 -6.679 1.00 60.40 H new ATOM 0 HD2 TYR A 98 -7.247 -23.572 -10.753 1.00 2.54 H new ATOM 0 HE1 TYR A 98 -7.742 -24.557 -5.959 1.00 53.42 H new ATOM 0 HE2 TYR A 98 -8.152 -25.738 -10.035 1.00 24.31 H new ATOM 0 HH TYR A 98 -8.717 -27.035 -8.340 1.00 55.13 H new ATOM 1538 N GLN A 99 -3.995 -22.842 -9.442 1.00 75.44 N ATOM 1539 CA GLN A 99 -3.034 -23.937 -9.510 1.00 35.01 C ATOM 1540 C GLN A 99 -1.627 -23.447 -9.185 1.00 74.10 C ATOM 1541 O GLN A 99 -1.259 -22.321 -9.522 1.00 62.43 O ATOM 1542 CB GLN A 99 -3.057 -24.578 -10.898 1.00 24.45 C ATOM 1543 CG GLN A 99 -3.429 -26.052 -10.881 1.00 34.11 C ATOM 1544 CD GLN A 99 -4.834 -26.293 -10.363 1.00 41.33 C ATOM 1545 OE1 GLN A 99 -5.801 -26.269 -11.124 1.00 14.53 O ATOM 1546 NE2 GLN A 99 -4.952 -26.528 -9.061 1.00 41.44 N ATOM 0 H GLN A 99 -4.499 -22.669 -10.312 1.00 75.44 H new ATOM 0 HA GLN A 99 -3.319 -24.684 -8.769 1.00 35.01 H new ATOM 0 HB2 GLN A 99 -3.767 -24.040 -11.526 1.00 24.45 H new ATOM 0 HB3 GLN A 99 -2.075 -24.465 -11.358 1.00 24.45 H new ATOM 0 HG2 GLN A 99 -3.343 -26.456 -11.890 1.00 34.11 H new ATOM 0 HG3 GLN A 99 -2.718 -26.595 -10.258 1.00 34.11 H new ATOM 0 HE21 GLN A 99 -4.123 -26.539 -8.467 1.00 41.44 H new ATOM 0 HE22 GLN A 99 -5.872 -26.698 -8.655 1.00 41.44 H new ATOM 1555 N ILE A 100 -0.846 -24.297 -8.529 1.00 31.43 N ATOM 1556 CA ILE A 100 0.521 -23.951 -8.161 1.00 2.31 C ATOM 1557 C ILE A 100 1.519 -24.931 -8.766 1.00 63.02 C ATOM 1558 O ILE A 100 1.177 -26.053 -9.142 1.00 72.03 O ATOM 1559 CB ILE A 100 0.703 -23.930 -6.632 1.00 14.35 C ATOM 1560 CG1 ILE A 100 -0.417 -24.721 -5.951 1.00 45.34 C ATOM 1561 CG2 ILE A 100 0.733 -22.496 -6.121 1.00 32.32 C ATOM 1562 CD1 ILE A 100 -0.243 -24.848 -4.454 1.00 50.53 C ATOM 0 H ILE A 100 -1.136 -25.231 -8.241 1.00 31.43 H new ATOM 0 HA ILE A 100 0.711 -22.953 -8.556 1.00 2.31 H new ATOM 0 HB ILE A 100 1.655 -24.402 -6.388 1.00 14.35 H new ATOM 0 HG12 ILE A 100 -1.371 -24.236 -6.158 1.00 45.34 H new ATOM 0 HG13 ILE A 100 -0.465 -25.718 -6.389 1.00 45.34 H new ATOM 0 HG21 ILE A 100 0.862 -22.498 -5.039 1.00 32.32 H new ATOM 0 HG22 ILE A 100 1.562 -21.962 -6.584 1.00 32.32 H new ATOM 0 HG23 ILE A 100 -0.204 -22.000 -6.374 1.00 32.32 H new ATOM 0 HD11 ILE A 100 -1.073 -25.420 -4.039 1.00 50.53 H new ATOM 0 HD12 ILE A 100 0.695 -25.360 -4.239 1.00 50.53 H new ATOM 0 HD13 ILE A 100 -0.226 -23.855 -4.004 1.00 50.53 H new ATOM 1574 N PRO A 101 2.787 -24.501 -8.864 1.00 75.23 N ATOM 1575 CA PRO A 101 3.862 -25.326 -9.422 1.00 52.22 C ATOM 1576 C PRO A 101 4.226 -26.495 -8.514 1.00 70.31 C ATOM 1577 O PRO A 101 3.984 -26.456 -7.308 1.00 62.11 O ATOM 1578 CB PRO A 101 5.036 -24.350 -9.533 1.00 71.32 C ATOM 1579 CG PRO A 101 4.762 -23.309 -8.504 1.00 52.01 C ATOM 1580 CD PRO A 101 3.266 -23.176 -8.437 1.00 73.21 C ATOM 0 HA PRO A 101 3.576 -25.781 -10.370 1.00 52.22 H new ATOM 0 HB2 PRO A 101 5.986 -24.851 -9.346 1.00 71.32 H new ATOM 0 HB3 PRO A 101 5.096 -23.915 -10.530 1.00 71.32 H new ATOM 0 HG2 PRO A 101 5.172 -23.599 -7.537 1.00 52.01 H new ATOM 0 HG3 PRO A 101 5.226 -22.361 -8.775 1.00 52.01 H new ATOM 0 HD2 PRO A 101 2.929 -22.932 -7.430 1.00 73.21 H new ATOM 0 HD3 PRO A 101 2.903 -22.386 -9.095 1.00 73.21 H new