USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=17 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 61 ASN : amide:sc= -1.82 K(o=-1.9,f=-3.2!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= -0.123 USER MOD Set 2.1: A 35 THR OG1 : rot 110:sc= 1.1 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -151:sc= 0.186 (180deg=-0.244) USER MOD Set 3.1: A 17 LYS NZ :NH3+ -179:sc= -0.305 (180deg=-0.319) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 160:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.193 USER MOD Single : A 4 GLN :FLIP amide:sc= -2.41! C(o=-3.5!,f=-2.4!) USER MOD Single : A 5 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.2!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.2!) 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= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 72 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.00094) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 82 MET CE :methyl -162:sc= 0 (180deg=-0.324) 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 -150:sc= -0.0159 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= -0.111 (180deg=-0.418) USER MOD Single : A 91 SER OG : rot 120:sc= -0.729 USER MOD Single : A 92 ASN : amide:sc= -4.16! C(o=-4.2!,f=-9.4!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.747 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.184 F(o=-1.9,f=0.18) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.679 -1.288 -1.366 1.00 22.41 N ATOM 9 CA SER A 2 5.143 -2.415 -0.566 1.00 71.54 C ATOM 10 C SER A 2 4.657 -3.736 -1.154 1.00 43.04 C ATOM 11 O SER A 2 3.687 -3.772 -1.912 1.00 22.14 O ATOM 12 CB SER A 2 4.655 -2.278 0.878 1.00 70.21 C ATOM 13 OG SER A 2 4.571 -3.543 1.511 1.00 61.30 O ATOM 0 HA SER A 2 6.233 -2.411 -0.577 1.00 71.54 H new ATOM 0 HB2 SER A 2 5.335 -1.634 1.435 1.00 70.21 H new ATOM 0 HB3 SER A 2 3.677 -1.796 0.890 1.00 70.21 H new ATOM 0 HG SER A 2 4.259 -3.427 2.433 1.00 61.30 H new ATOM 19 N ALA A 3 5.339 -4.821 -0.801 1.00 0.13 N ATOM 20 CA ALA A 3 4.978 -6.144 -1.292 1.00 72.53 C ATOM 21 C ALA A 3 3.569 -6.527 -0.852 1.00 30.33 C ATOM 22 O ALA A 3 3.375 -7.066 0.237 1.00 12.02 O ATOM 23 CB ALA A 3 5.983 -7.179 -0.810 1.00 62.44 C ATOM 0 H ALA A 3 6.145 -4.809 -0.176 1.00 0.13 H new ATOM 0 HA ALA A 3 4.996 -6.117 -2.382 1.00 72.53 H new ATOM 0 HB1 ALA A 3 5.700 -8.163 -1.185 1.00 62.44 H new ATOM 0 HB2 ALA A 3 6.976 -6.922 -1.179 1.00 62.44 H new ATOM 0 HB3 ALA A 3 5.994 -7.195 0.280 1.00 62.44 H new ATOM 29 N GLN A 4 2.590 -6.245 -1.705 1.00 74.34 N ATOM 30 CA GLN A 4 1.198 -6.559 -1.402 1.00 3.44 C ATOM 31 C GLN A 4 0.812 -7.922 -1.966 1.00 3.02 C ATOM 32 O GLN A 4 1.076 -8.221 -3.130 1.00 4.42 O ATOM 33 CB GLN A 4 0.275 -5.480 -1.967 1.00 55.44 C ATOM 34 CG GLN A 4 -0.609 -4.823 -0.919 1.00 32.23 C ATOM 35 CD GLN A 4 -1.892 -4.266 -1.503 1.00 15.01 C ATOM 36 OE1 GLN A 4 -2.810 -5.152 -1.868 1.00 35.24 O flip ATOM 37 NE2 GLN A 4 -2.056 -3.052 -1.624 1.00 72.43 N flip ATOM 0 H GLN A 4 2.734 -5.800 -2.611 1.00 74.34 H new ATOM 0 HA GLN A 4 1.087 -6.590 -0.318 1.00 3.44 H new ATOM 0 HB2 GLN A 4 0.880 -4.714 -2.451 1.00 55.44 H new ATOM 0 HB3 GLN A 4 -0.357 -5.922 -2.738 1.00 55.44 H new ATOM 0 HG2 GLN A 4 -0.853 -5.552 -0.146 1.00 32.23 H new ATOM 0 HG3 GLN A 4 -0.055 -4.018 -0.435 1.00 32.23 H new ATOM 0 HE21 GLN A 4 -1.323 -2.407 -1.330 1.00 72.43 H new ATOM 0 HE22 GLN A 4 -2.925 -2.692 -2.018 1.00 72.43 H new ATOM 46 N ASN A 5 0.187 -8.747 -1.132 1.00 52.43 N ATOM 47 CA ASN A 5 -0.235 -10.080 -1.548 1.00 13.40 C ATOM 48 C ASN A 5 -1.632 -10.042 -2.159 1.00 52.13 C ATOM 49 O ASN A 5 -2.596 -9.638 -1.507 1.00 24.45 O ATOM 50 CB ASN A 5 -0.213 -11.040 -0.357 1.00 43.50 C ATOM 51 CG ASN A 5 1.050 -11.878 -0.314 1.00 42.52 C ATOM 52 OD1 ASN A 5 2.050 -11.484 0.285 1.00 21.45 O ATOM 53 ND2 ASN A 5 1.009 -13.041 -0.953 1.00 24.03 N ATOM 0 H ASN A 5 -0.038 -8.516 -0.164 1.00 52.43 H new ATOM 0 HA ASN A 5 0.464 -10.435 -2.305 1.00 13.40 H new ATOM 0 HB2 ASN A 5 -0.299 -10.470 0.568 1.00 43.50 H new ATOM 0 HB3 ASN A 5 -1.081 -11.698 -0.408 1.00 43.50 H new ATOM 0 HD21 ASN A 5 1.829 -13.648 -0.960 1.00 24.03 H new ATOM 0 HD22 ASN A 5 0.158 -13.327 -1.437 1.00 24.03 H new ATOM 60 N ILE A 6 -1.735 -10.466 -3.414 1.00 52.21 N ATOM 61 CA ILE A 6 -3.015 -10.482 -4.112 1.00 62.32 C ATOM 62 C ILE A 6 -3.316 -11.867 -4.676 1.00 45.43 C ATOM 63 O ILE A 6 -2.491 -12.458 -5.374 1.00 51.42 O ATOM 64 CB ILE A 6 -3.044 -9.456 -5.259 1.00 44.30 C ATOM 65 CG1 ILE A 6 -3.337 -8.057 -4.713 1.00 50.10 C ATOM 66 CG2 ILE A 6 -4.081 -9.853 -6.299 1.00 1.31 C ATOM 67 CD1 ILE A 6 -2.235 -7.507 -3.835 1.00 35.44 C ATOM 0 H ILE A 6 -0.948 -10.803 -3.968 1.00 52.21 H new ATOM 0 HA ILE A 6 -3.777 -10.217 -3.379 1.00 62.32 H new ATOM 0 HB ILE A 6 -2.065 -9.441 -5.738 1.00 44.30 H new ATOM 0 HG12 ILE A 6 -3.498 -7.376 -5.549 1.00 50.10 H new ATOM 0 HG13 ILE A 6 -4.265 -8.086 -4.142 1.00 50.10 H new ATOM 0 HG21 ILE A 6 -4.089 -9.118 -7.104 1.00 1.31 H new ATOM 0 HG22 ILE A 6 -3.832 -10.833 -6.706 1.00 1.31 H new ATOM 0 HG23 ILE A 6 -5.066 -9.893 -5.834 1.00 1.31 H new ATOM 0 HD11 ILE A 6 -2.511 -6.513 -3.484 1.00 35.44 H new ATOM 0 HD12 ILE A 6 -2.088 -8.166 -2.979 1.00 35.44 H new ATOM 0 HD13 ILE A 6 -1.310 -7.445 -4.408 1.00 35.44 H new ATOM 79 N THR A 7 -4.503 -12.380 -4.371 1.00 12.23 N ATOM 80 CA THR A 7 -4.914 -13.694 -4.847 1.00 50.25 C ATOM 81 C THR A 7 -5.611 -13.596 -6.200 1.00 72.01 C ATOM 82 O THR A 7 -6.381 -12.668 -6.446 1.00 1.41 O ATOM 83 CB THR A 7 -5.858 -14.386 -3.845 1.00 61.01 C ATOM 84 OG1 THR A 7 -6.844 -13.458 -3.380 1.00 2.20 O ATOM 85 CG2 THR A 7 -5.078 -14.941 -2.662 1.00 41.35 C ATOM 0 H THR A 7 -5.198 -11.904 -3.795 1.00 12.23 H new ATOM 0 HA THR A 7 -4.007 -14.290 -4.951 1.00 50.25 H new ATOM 0 HB THR A 7 -6.351 -15.213 -4.355 1.00 61.01 H new ATOM 0 HG1 THR A 7 -7.441 -13.906 -2.745 1.00 2.20 H new ATOM 0 HG21 THR A 7 -5.765 -15.425 -1.968 1.00 41.35 H new ATOM 0 HG22 THR A 7 -4.348 -15.669 -3.017 1.00 41.35 H new ATOM 0 HG23 THR A 7 -4.561 -14.127 -2.153 1.00 41.35 H new ATOM 93 N ALA A 8 -5.337 -14.559 -7.073 1.00 1.15 N ATOM 94 CA ALA A 8 -5.940 -14.582 -8.400 1.00 1.14 C ATOM 95 C ALA A 8 -6.253 -16.009 -8.837 1.00 1.14 C ATOM 96 O ALA A 8 -5.775 -16.971 -8.234 1.00 54.43 O ATOM 97 CB ALA A 8 -5.022 -13.908 -9.409 1.00 71.22 C ATOM 0 H ALA A 8 -4.701 -15.334 -6.885 1.00 1.15 H new ATOM 0 HA ALA A 8 -6.879 -14.030 -8.354 1.00 1.14 H new ATOM 0 HB1 ALA A 8 -5.485 -13.933 -10.395 1.00 71.22 H new ATOM 0 HB2 ALA A 8 -4.854 -12.873 -9.113 1.00 71.22 H new ATOM 0 HB3 ALA A 8 -4.069 -14.435 -9.443 1.00 71.22 H new ATOM 103 N ARG A 9 -7.057 -16.139 -9.886 1.00 43.12 N ATOM 104 CA ARG A 9 -7.435 -17.450 -10.402 1.00 14.15 C ATOM 105 C ARG A 9 -7.060 -17.582 -11.875 1.00 62.33 C ATOM 106 O ARG A 9 -7.039 -16.597 -12.612 1.00 3.45 O ATOM 107 CB ARG A 9 -8.938 -17.678 -10.224 1.00 4.13 C ATOM 108 CG ARG A 9 -9.290 -18.462 -8.971 1.00 62.25 C ATOM 109 CD ARG A 9 -9.458 -17.547 -7.769 1.00 42.33 C ATOM 110 NE ARG A 9 -10.620 -17.911 -6.962 1.00 51.13 N ATOM 111 CZ ARG A 9 -11.869 -17.600 -7.290 1.00 51.42 C ATOM 112 NH1 ARG A 9 -12.117 -16.922 -8.403 1.00 34.33 N ATOM 113 NH2 ARG A 9 -12.874 -17.966 -6.504 1.00 41.24 N ATOM 0 H ARG A 9 -7.460 -15.353 -10.396 1.00 43.12 H new ATOM 0 HA ARG A 9 -6.891 -18.207 -9.837 1.00 14.15 H new ATOM 0 HB2 ARG A 9 -9.442 -16.712 -10.192 1.00 4.13 H new ATOM 0 HB3 ARG A 9 -9.322 -18.209 -11.095 1.00 4.13 H new ATOM 0 HG2 ARG A 9 -10.212 -19.020 -9.137 1.00 62.25 H new ATOM 0 HG3 ARG A 9 -8.508 -19.193 -8.766 1.00 62.25 H new ATOM 0 HD2 ARG A 9 -8.560 -17.590 -7.152 1.00 42.33 H new ATOM 0 HD3 ARG A 9 -9.561 -16.517 -8.109 1.00 42.33 H new ATOM 0 HE ARG A 9 -10.464 -18.433 -6.099 1.00 51.13 H new ATOM 0 HH11 ARG A 9 -11.348 -16.638 -9.009 1.00 34.33 H new ATOM 0 HH12 ARG A 9 -13.077 -16.685 -8.652 1.00 34.33 H new ATOM 0 HH21 ARG A 9 -12.688 -18.487 -5.647 1.00 41.24 H new ATOM 0 HH22 ARG A 9 -13.833 -17.727 -6.757 1.00 41.24 H new ATOM 127 N ILE A 10 -6.766 -18.808 -12.297 1.00 1.03 N ATOM 128 CA ILE A 10 -6.393 -19.069 -13.681 1.00 23.44 C ATOM 129 C ILE A 10 -7.579 -18.867 -14.618 1.00 12.05 C ATOM 130 O ILE A 10 -8.609 -19.526 -14.483 1.00 45.42 O ATOM 131 CB ILE A 10 -5.852 -20.501 -13.857 1.00 55.51 C ATOM 132 CG1 ILE A 10 -4.622 -20.718 -12.974 1.00 32.42 C ATOM 133 CG2 ILE A 10 -5.514 -20.763 -15.318 1.00 22.50 C ATOM 134 CD1 ILE A 10 -4.424 -22.158 -12.557 1.00 73.54 C ATOM 0 H ILE A 10 -6.779 -19.635 -11.700 1.00 1.03 H new ATOM 0 HA ILE A 10 -5.607 -18.358 -13.936 1.00 23.44 H new ATOM 0 HB ILE A 10 -6.625 -21.206 -13.550 1.00 55.51 H new ATOM 0 HG12 ILE A 10 -3.736 -20.378 -13.510 1.00 32.42 H new ATOM 0 HG13 ILE A 10 -4.712 -20.099 -12.081 1.00 32.42 H new ATOM 0 HG21 ILE A 10 -5.133 -21.778 -15.427 1.00 22.50 H new ATOM 0 HG22 ILE A 10 -6.411 -20.645 -15.926 1.00 22.50 H new ATOM 0 HG23 ILE A 10 -4.756 -20.054 -15.649 1.00 22.50 H new ATOM 0 HD11 ILE A 10 -3.534 -22.237 -11.933 1.00 73.54 H new ATOM 0 HD12 ILE A 10 -5.293 -22.496 -11.993 1.00 73.54 H new ATOM 0 HD13 ILE A 10 -4.302 -22.780 -13.444 1.00 73.54 H new ATOM 146 N GLY A 11 -7.425 -17.950 -15.569 1.00 35.50 N ATOM 147 CA GLY A 11 -8.490 -17.678 -16.516 1.00 73.12 C ATOM 148 C GLY A 11 -9.303 -16.455 -16.139 1.00 4.44 C ATOM 149 O GLY A 11 -10.168 -16.020 -16.898 1.00 12.25 O ATOM 0 H GLY A 11 -6.582 -17.391 -15.700 1.00 35.50 H new ATOM 0 HA2 GLY A 11 -8.062 -17.534 -17.508 1.00 73.12 H new ATOM 0 HA3 GLY A 11 -9.149 -18.544 -16.576 1.00 73.12 H new ATOM 153 N GLU A 12 -9.023 -15.900 -14.964 1.00 71.14 N ATOM 154 CA GLU A 12 -9.737 -14.720 -14.488 1.00 24.02 C ATOM 155 C GLU A 12 -8.892 -13.462 -14.674 1.00 74.41 C ATOM 156 O GLU A 12 -7.678 -13.465 -14.476 1.00 0.05 O ATOM 157 CB GLU A 12 -10.111 -14.884 -13.014 1.00 20.34 C ATOM 158 CG GLU A 12 -9.015 -14.447 -12.055 1.00 62.32 C ATOM 159 CD GLU A 12 -9.153 -12.998 -11.633 1.00 2.23 C ATOM 160 OE1 GLU A 12 -10.292 -12.488 -11.629 1.00 54.41 O ATOM 161 OE2 GLU A 12 -8.121 -12.374 -11.307 1.00 33.11 O ATOM 0 H GLU A 12 -8.308 -16.248 -14.325 1.00 71.14 H new ATOM 0 HA GLU A 12 -10.648 -14.615 -15.077 1.00 24.02 H new ATOM 0 HB2 GLU A 12 -11.012 -14.306 -12.810 1.00 20.34 H new ATOM 0 HB3 GLU A 12 -10.353 -15.930 -12.824 1.00 20.34 H new ATOM 0 HG2 GLU A 12 -9.037 -15.083 -11.170 1.00 62.32 H new ATOM 0 HG3 GLU A 12 -8.044 -14.593 -12.528 1.00 62.32 H new ATOM 168 N PRO A 13 -9.551 -12.361 -15.064 1.00 15.12 N ATOM 169 CA PRO A 13 -8.883 -11.076 -15.285 1.00 24.13 C ATOM 170 C PRO A 13 -8.397 -10.444 -13.985 1.00 1.54 C ATOM 171 O PRO A 13 -9.035 -10.579 -12.940 1.00 61.43 O ATOM 172 CB PRO A 13 -9.974 -10.213 -15.924 1.00 14.12 C ATOM 173 CG PRO A 13 -11.254 -10.810 -15.450 1.00 34.11 C ATOM 174 CD PRO A 13 -11.000 -12.285 -15.319 1.00 31.53 C ATOM 0 HA PRO A 13 -7.990 -11.182 -15.901 1.00 24.13 H new ATOM 0 HB2 PRO A 13 -9.885 -9.171 -15.617 1.00 14.12 H new ATOM 0 HB3 PRO A 13 -9.907 -10.231 -17.012 1.00 14.12 H new ATOM 0 HG2 PRO A 13 -11.555 -10.380 -14.495 1.00 34.11 H new ATOM 0 HG3 PRO A 13 -12.061 -10.614 -16.156 1.00 34.11 H new ATOM 0 HD2 PRO A 13 -11.575 -12.721 -14.502 1.00 31.53 H new ATOM 0 HD3 PRO A 13 -11.277 -12.822 -16.226 1.00 31.53 H new ATOM 182 N LEU A 14 -7.265 -9.752 -14.056 1.00 24.00 N ATOM 183 CA LEU A 14 -6.693 -9.098 -12.884 1.00 54.20 C ATOM 184 C LEU A 14 -6.172 -7.708 -13.236 1.00 32.23 C ATOM 185 O LEU A 14 -5.632 -7.493 -14.320 1.00 43.02 O ATOM 186 CB LEU A 14 -5.562 -9.947 -12.302 1.00 35.40 C ATOM 187 CG LEU A 14 -5.086 -9.562 -10.901 1.00 21.13 C ATOM 188 CD1 LEU A 14 -6.038 -10.103 -9.846 1.00 72.25 C ATOM 189 CD2 LEU A 14 -3.673 -10.072 -10.658 1.00 21.21 C ATOM 0 H LEU A 14 -6.725 -9.629 -14.913 1.00 24.00 H new ATOM 0 HA LEU A 14 -7.480 -8.993 -12.137 1.00 54.20 H new ATOM 0 HB2 LEU A 14 -5.890 -10.986 -12.280 1.00 35.40 H new ATOM 0 HB3 LEU A 14 -4.710 -9.896 -12.980 1.00 35.40 H new ATOM 0 HG LEU A 14 -5.076 -8.474 -10.829 1.00 21.13 H new ATOM 0 HD11 LEU A 14 -5.683 -9.819 -8.855 1.00 72.25 H new ATOM 0 HD12 LEU A 14 -7.033 -9.689 -10.007 1.00 72.25 H new ATOM 0 HD13 LEU A 14 -6.081 -11.190 -9.918 1.00 72.25 H new ATOM 0 HD21 LEU A 14 -3.351 -9.789 -9.656 1.00 21.21 H new ATOM 0 HD22 LEU A 14 -3.657 -11.158 -10.751 1.00 21.21 H new ATOM 0 HD23 LEU A 14 -2.997 -9.635 -11.393 1.00 21.21 H new ATOM 201 N VAL A 15 -6.337 -6.768 -12.310 1.00 20.10 N ATOM 202 CA VAL A 15 -5.881 -5.400 -12.521 1.00 1.12 C ATOM 203 C VAL A 15 -4.895 -4.976 -11.438 1.00 53.01 C ATOM 204 O VAL A 15 -5.021 -5.373 -10.278 1.00 62.44 O ATOM 205 CB VAL A 15 -7.061 -4.411 -12.541 1.00 12.51 C ATOM 206 CG1 VAL A 15 -6.580 -3.011 -12.889 1.00 3.20 C ATOM 207 CG2 VAL A 15 -8.128 -4.875 -13.521 1.00 73.31 C ATOM 0 H VAL A 15 -6.783 -6.930 -11.407 1.00 20.10 H new ATOM 0 HA VAL A 15 -5.383 -5.379 -13.490 1.00 1.12 H new ATOM 0 HB VAL A 15 -7.503 -4.380 -11.545 1.00 12.51 H new ATOM 0 HG11 VAL A 15 -7.428 -2.327 -12.898 1.00 3.20 H new ATOM 0 HG12 VAL A 15 -5.855 -2.680 -12.146 1.00 3.20 H new ATOM 0 HG13 VAL A 15 -6.112 -3.021 -13.873 1.00 3.20 H new ATOM 0 HG21 VAL A 15 -8.955 -4.164 -13.522 1.00 73.31 H new ATOM 0 HG22 VAL A 15 -7.701 -4.937 -14.522 1.00 73.31 H new ATOM 0 HG23 VAL A 15 -8.494 -5.857 -13.222 1.00 73.31 H new ATOM 217 N LEU A 16 -3.914 -4.167 -11.821 1.00 51.53 N ATOM 218 CA LEU A 16 -2.905 -3.687 -10.883 1.00 72.31 C ATOM 219 C LEU A 16 -2.726 -2.177 -11.001 1.00 35.50 C ATOM 220 O LEU A 16 -2.903 -1.602 -12.074 1.00 52.21 O ATOM 221 CB LEU A 16 -1.572 -4.393 -11.133 1.00 43.40 C ATOM 222 CG LEU A 16 -1.499 -5.861 -10.713 1.00 0.20 C ATOM 223 CD1 LEU A 16 -0.377 -6.572 -11.452 1.00 64.32 C ATOM 224 CD2 LEU A 16 -1.305 -5.976 -9.207 1.00 61.22 C ATOM 0 H LEU A 16 -3.795 -3.829 -12.776 1.00 51.53 H new ATOM 0 HA LEU A 16 -3.245 -3.915 -9.873 1.00 72.31 H new ATOM 0 HB2 LEU A 16 -1.344 -4.329 -12.197 1.00 43.40 H new ATOM 0 HB3 LEU A 16 -0.790 -3.846 -10.606 1.00 43.40 H new ATOM 0 HG LEU A 16 -2.441 -6.342 -10.976 1.00 0.20 H new ATOM 0 HD11 LEU A 16 -0.340 -7.616 -11.140 1.00 64.32 H new ATOM 0 HD12 LEU A 16 -0.558 -6.520 -12.526 1.00 64.32 H new ATOM 0 HD13 LEU A 16 0.573 -6.091 -11.221 1.00 64.32 H new ATOM 0 HD21 LEU A 16 -1.255 -7.028 -8.926 1.00 61.22 H new ATOM 0 HD22 LEU A 16 -0.378 -5.480 -8.921 1.00 61.22 H new ATOM 0 HD23 LEU A 16 -2.143 -5.503 -8.695 1.00 61.22 H new ATOM 236 N LYS A 17 -2.372 -1.541 -9.890 1.00 5.13 N ATOM 237 CA LYS A 17 -2.163 -0.098 -9.867 1.00 41.41 C ATOM 238 C LYS A 17 -0.693 0.237 -9.638 1.00 72.11 C ATOM 239 O LYS A 17 0.043 -0.538 -9.026 1.00 55.24 O ATOM 240 CB LYS A 17 -3.019 0.545 -8.774 1.00 32.11 C ATOM 241 CG LYS A 17 -3.721 1.816 -9.218 1.00 4.42 C ATOM 242 CD LYS A 17 -3.638 2.900 -8.156 1.00 33.43 C ATOM 243 CE LYS A 17 -2.268 3.560 -8.138 1.00 32.23 C ATOM 244 NZ LYS A 17 -1.982 4.207 -6.828 1.00 44.51 N ATOM 0 H LYS A 17 -2.224 -2.002 -8.993 1.00 5.13 H new ATOM 0 HA LYS A 17 -2.461 0.301 -10.836 1.00 41.41 H new ATOM 0 HB2 LYS A 17 -3.766 -0.175 -8.440 1.00 32.11 H new ATOM 0 HB3 LYS A 17 -2.387 0.771 -7.915 1.00 32.11 H new ATOM 0 HG2 LYS A 17 -3.271 2.177 -10.143 1.00 4.42 H new ATOM 0 HG3 LYS A 17 -4.767 1.598 -9.436 1.00 4.42 H new ATOM 0 HD2 LYS A 17 -4.403 3.653 -8.343 1.00 33.43 H new ATOM 0 HD3 LYS A 17 -3.848 2.469 -7.177 1.00 33.43 H new ATOM 0 HE2 LYS A 17 -1.502 2.814 -8.349 1.00 32.23 H new ATOM 0 HE3 LYS A 17 -2.214 4.306 -8.931 1.00 32.23 H new ATOM 0 HZ1 LYS A 17 -1.046 4.660 -6.861 1.00 44.51 H new ATOM 0 HZ2 LYS A 17 -2.708 4.925 -6.630 1.00 44.51 H new ATOM 0 HZ3 LYS A 17 -1.992 3.488 -6.076 1.00 44.51 H new ATOM 258 N CYS A 18 -0.271 1.396 -10.132 1.00 22.12 N ATOM 259 CA CYS A 18 1.112 1.834 -9.981 1.00 14.53 C ATOM 260 C CYS A 18 1.218 2.953 -8.949 1.00 30.42 C ATOM 261 O CYS A 18 0.908 4.109 -9.236 1.00 4.32 O ATOM 262 CB CYS A 18 1.668 2.310 -11.324 1.00 51.24 C ATOM 263 SG CYS A 18 3.486 2.316 -11.417 1.00 64.53 S ATOM 0 H CYS A 18 -0.867 2.049 -10.641 1.00 22.12 H new ATOM 0 HA CYS A 18 1.700 0.985 -9.633 1.00 14.53 H new ATOM 0 HB2 CYS A 18 1.277 1.669 -12.114 1.00 51.24 H new ATOM 0 HB3 CYS A 18 1.302 3.318 -11.520 1.00 51.24 H new ATOM 268 N LYS A 19 1.658 2.601 -7.746 1.00 61.55 N ATOM 269 CA LYS A 19 1.807 3.573 -6.670 1.00 4.34 C ATOM 270 C LYS A 19 2.767 4.688 -7.074 1.00 4.22 C ATOM 271 O LYS A 19 3.932 4.437 -7.378 1.00 40.33 O ATOM 272 CB LYS A 19 2.313 2.886 -5.399 1.00 53.23 C ATOM 273 CG LYS A 19 1.559 1.612 -5.057 1.00 35.05 C ATOM 274 CD LYS A 19 0.065 1.865 -4.936 1.00 61.44 C ATOM 275 CE LYS A 19 -0.265 2.682 -3.697 1.00 31.44 C ATOM 276 NZ LYS A 19 -1.733 2.755 -3.455 1.00 5.21 N ATOM 0 H LYS A 19 1.918 1.648 -7.492 1.00 61.55 H new ATOM 0 HA LYS A 19 0.829 4.012 -6.473 1.00 4.34 H new ATOM 0 HB2 LYS A 19 3.371 2.652 -5.519 1.00 53.23 H new ATOM 0 HB3 LYS A 19 2.233 3.581 -4.563 1.00 53.23 H new ATOM 0 HG2 LYS A 19 1.741 0.862 -5.827 1.00 35.05 H new ATOM 0 HG3 LYS A 19 1.937 1.204 -4.120 1.00 35.05 H new ATOM 0 HD2 LYS A 19 -0.289 2.390 -5.823 1.00 61.44 H new ATOM 0 HD3 LYS A 19 -0.464 0.913 -4.896 1.00 61.44 H new ATOM 0 HE2 LYS A 19 0.224 2.240 -2.829 1.00 31.44 H new ATOM 0 HE3 LYS A 19 0.135 3.690 -3.809 1.00 31.44 H new ATOM 0 HZ1 LYS A 19 -1.909 3.010 -2.462 1.00 5.21 H new ATOM 0 HZ2 LYS A 19 -2.152 3.476 -4.077 1.00 5.21 H new ATOM 0 HZ3 LYS A 19 -2.164 1.830 -3.657 1.00 5.21 H new ATOM 290 N GLY A 20 2.270 5.921 -7.072 1.00 60.33 N ATOM 291 CA GLY A 20 3.098 7.055 -7.439 1.00 34.24 C ATOM 292 C GLY A 20 2.489 7.879 -8.556 1.00 45.33 C ATOM 293 O GLY A 20 2.509 9.109 -8.511 1.00 34.41 O ATOM 0 H GLY A 20 1.309 6.155 -6.823 1.00 60.33 H new ATOM 0 HA2 GLY A 20 3.249 7.689 -6.565 1.00 34.24 H new ATOM 0 HA3 GLY A 20 4.081 6.699 -7.748 1.00 34.24 H new ATOM 434 N LEU A 29 7.094 6.137 -17.850 1.00 51.30 N ATOM 435 CA LEU A 29 7.208 5.144 -16.789 1.00 61.44 C ATOM 436 C LEU A 29 7.543 3.770 -17.362 1.00 1.31 C ATOM 437 O LEU A 29 7.292 3.499 -18.536 1.00 12.22 O ATOM 438 CB LEU A 29 5.906 5.070 -15.989 1.00 45.51 C ATOM 439 CG LEU A 29 4.618 5.294 -16.782 1.00 64.11 C ATOM 440 CD1 LEU A 29 4.582 4.393 -18.007 1.00 2.10 C ATOM 441 CD2 LEU A 29 3.401 5.049 -15.902 1.00 54.13 C ATOM 0 HA LEU A 29 8.018 5.449 -16.127 1.00 61.44 H new ATOM 0 HB2 LEU A 29 5.850 4.091 -15.513 1.00 45.51 H new ATOM 0 HB3 LEU A 29 5.951 5.811 -15.190 1.00 45.51 H new ATOM 0 HG LEU A 29 4.596 6.331 -17.118 1.00 64.11 H new ATOM 0 HD11 LEU A 29 3.658 4.566 -18.559 1.00 2.10 H new ATOM 0 HD12 LEU A 29 5.435 4.616 -18.648 1.00 2.10 H new ATOM 0 HD13 LEU A 29 4.627 3.350 -17.693 1.00 2.10 H new ATOM 0 HD21 LEU A 29 2.493 5.213 -16.483 1.00 54.13 H new ATOM 0 HD22 LEU A 29 3.417 4.022 -15.536 1.00 54.13 H new ATOM 0 HD23 LEU A 29 3.420 5.736 -15.056 1.00 54.13 H new ATOM 453 N GLU A 30 8.110 2.907 -16.526 1.00 0.02 N ATOM 454 CA GLU A 30 8.477 1.561 -16.950 1.00 30.35 C ATOM 455 C GLU A 30 7.757 0.509 -16.111 1.00 0.53 C ATOM 456 O GLU A 30 7.530 0.703 -14.917 1.00 22.52 O ATOM 457 CB GLU A 30 9.991 1.364 -16.843 1.00 52.32 C ATOM 458 CG GLU A 30 10.500 0.143 -17.590 1.00 3.20 C ATOM 459 CD GLU A 30 11.955 -0.162 -17.287 1.00 52.30 C ATOM 460 OE1 GLU A 30 12.352 -0.047 -16.109 1.00 44.01 O ATOM 461 OE2 GLU A 30 12.694 -0.517 -18.229 1.00 11.02 O ATOM 0 H GLU A 30 8.325 3.116 -15.551 1.00 0.02 H new ATOM 0 HA GLU A 30 8.173 1.441 -17.990 1.00 30.35 H new ATOM 0 HB2 GLU A 30 10.493 2.251 -17.230 1.00 52.32 H new ATOM 0 HB3 GLU A 30 10.264 1.276 -15.791 1.00 52.32 H new ATOM 0 HG2 GLU A 30 9.889 -0.720 -17.326 1.00 3.20 H new ATOM 0 HG3 GLU A 30 10.382 0.302 -18.662 1.00 3.20 H new ATOM 468 N TRP A 31 7.399 -0.600 -16.745 1.00 25.52 N ATOM 469 CA TRP A 31 6.704 -1.683 -16.057 1.00 53.33 C ATOM 470 C TRP A 31 7.434 -3.008 -16.249 1.00 33.15 C ATOM 471 O TRP A 31 7.883 -3.328 -17.349 1.00 13.35 O ATOM 472 CB TRP A 31 5.267 -1.800 -16.569 1.00 45.54 C ATOM 473 CG TRP A 31 4.447 -0.569 -16.327 1.00 2.23 C ATOM 474 CD1 TRP A 31 4.735 0.701 -16.739 1.00 51.33 C ATOM 475 CD2 TRP A 31 3.209 -0.491 -15.614 1.00 42.34 C ATOM 476 NE1 TRP A 31 3.748 1.564 -16.326 1.00 22.13 N ATOM 477 CE2 TRP A 31 2.800 0.857 -15.634 1.00 10.43 C ATOM 478 CE3 TRP A 31 2.403 -1.428 -14.962 1.00 45.20 C ATOM 479 CZ2 TRP A 31 1.624 1.288 -15.027 1.00 65.25 C ATOM 480 CZ3 TRP A 31 1.235 -1.000 -14.360 1.00 44.41 C ATOM 481 CH2 TRP A 31 0.854 0.349 -14.397 1.00 23.34 C ATOM 0 H TRP A 31 7.578 -0.774 -17.734 1.00 25.52 H new ATOM 0 HA TRP A 31 6.686 -1.451 -14.992 1.00 53.33 H new ATOM 0 HB2 TRP A 31 5.286 -2.010 -17.638 1.00 45.54 H new ATOM 0 HB3 TRP A 31 4.785 -2.650 -16.085 1.00 45.54 H new ATOM 0 HD1 TRP A 31 5.609 0.985 -17.306 1.00 51.33 H new ATOM 0 HE1 TRP A 31 3.725 2.568 -16.506 1.00 22.13 H new ATOM 0 HE3 TRP A 31 2.688 -2.469 -14.929 1.00 45.20 H new ATOM 0 HZ2 TRP A 31 1.330 2.327 -15.052 1.00 65.25 H new ATOM 0 HZ3 TRP A 31 0.605 -1.716 -13.853 1.00 44.41 H new ATOM 0 HH2 TRP A 31 -0.065 0.653 -13.919 1.00 23.34 H new ATOM 492 N LYS A 32 7.550 -3.775 -15.169 1.00 53.25 N ATOM 493 CA LYS A 32 8.225 -5.067 -15.219 1.00 34.41 C ATOM 494 C LYS A 32 7.544 -6.071 -14.293 1.00 43.45 C ATOM 495 O LYS A 32 7.191 -5.746 -13.158 1.00 43.34 O ATOM 496 CB LYS A 32 9.696 -4.912 -14.826 1.00 14.22 C ATOM 497 CG LYS A 32 10.614 -5.914 -15.503 1.00 51.04 C ATOM 498 CD LYS A 32 12.074 -5.518 -15.360 1.00 13.21 C ATOM 499 CE LYS A 32 12.599 -5.819 -13.965 1.00 45.21 C ATOM 500 NZ LYS A 32 14.035 -5.449 -13.821 1.00 15.51 N ATOM 0 H LYS A 32 7.186 -3.524 -14.250 1.00 53.25 H new ATOM 0 HA LYS A 32 8.166 -5.442 -16.241 1.00 34.41 H new ATOM 0 HB2 LYS A 32 10.026 -3.903 -15.075 1.00 14.22 H new ATOM 0 HB3 LYS A 32 9.788 -5.020 -13.745 1.00 14.22 H new ATOM 0 HG2 LYS A 32 10.460 -6.902 -15.068 1.00 51.04 H new ATOM 0 HG3 LYS A 32 10.358 -5.987 -16.560 1.00 51.04 H new ATOM 0 HD2 LYS A 32 12.671 -6.053 -16.098 1.00 13.21 H new ATOM 0 HD3 LYS A 32 12.186 -4.454 -15.570 1.00 13.21 H new ATOM 0 HE2 LYS A 32 12.008 -5.274 -13.229 1.00 45.21 H new ATOM 0 HE3 LYS A 32 12.474 -6.881 -13.751 1.00 45.21 H new ATOM 0 HZ1 LYS A 32 14.355 -5.670 -12.856 1.00 15.51 H new ATOM 0 HZ2 LYS A 32 14.603 -5.988 -14.506 1.00 15.51 H new ATOM 0 HZ3 LYS A 32 14.151 -4.431 -14.000 1.00 15.51 H new ATOM 514 N LEU A 33 7.364 -7.292 -14.784 1.00 71.14 N ATOM 515 CA LEU A 33 6.726 -8.346 -14.001 1.00 1.35 C ATOM 516 C LEU A 33 7.442 -9.678 -14.197 1.00 43.40 C ATOM 517 O LEU A 33 7.800 -10.043 -15.316 1.00 14.15 O ATOM 518 CB LEU A 33 5.254 -8.481 -14.395 1.00 22.23 C ATOM 519 CG LEU A 33 4.673 -9.894 -14.338 1.00 41.04 C ATOM 520 CD1 LEU A 33 4.636 -10.400 -12.905 1.00 62.13 C ATOM 521 CD2 LEU A 33 3.281 -9.921 -14.952 1.00 73.44 C ATOM 0 H LEU A 33 7.651 -7.577 -15.720 1.00 71.14 H new ATOM 0 HA LEU A 33 6.790 -8.072 -12.948 1.00 1.35 H new ATOM 0 HB2 LEU A 33 4.663 -7.840 -13.741 1.00 22.23 H new ATOM 0 HB3 LEU A 33 5.133 -8.100 -15.409 1.00 22.23 H new ATOM 0 HG LEU A 33 5.318 -10.555 -14.917 1.00 41.04 H new ATOM 0 HD11 LEU A 33 4.219 -11.407 -12.885 1.00 62.13 H new ATOM 0 HD12 LEU A 33 5.647 -10.418 -12.499 1.00 62.13 H new ATOM 0 HD13 LEU A 33 4.015 -9.738 -12.301 1.00 62.13 H new ATOM 0 HD21 LEU A 33 2.882 -10.934 -14.904 1.00 73.44 H new ATOM 0 HD22 LEU A 33 2.627 -9.246 -14.400 1.00 73.44 H new ATOM 0 HD23 LEU A 33 3.336 -9.602 -15.993 1.00 73.44 H new ATOM 533 N ASN A 34 7.645 -10.401 -13.101 1.00 73.21 N ATOM 534 CA ASN A 34 8.317 -11.695 -13.152 1.00 14.20 C ATOM 535 C ASN A 34 7.355 -12.822 -12.786 1.00 64.02 C ATOM 536 O ASN A 34 6.704 -12.784 -11.741 1.00 43.43 O ATOM 537 CB ASN A 34 9.519 -11.708 -12.205 1.00 53.33 C ATOM 538 CG ASN A 34 10.638 -12.600 -12.703 1.00 44.25 C ATOM 539 OD1 ASN A 34 11.718 -12.123 -13.053 1.00 41.33 O ATOM 540 ND2 ASN A 34 10.385 -13.903 -12.739 1.00 40.03 N ATOM 0 H ASN A 34 7.354 -10.113 -12.167 1.00 73.21 H new ATOM 0 HA ASN A 34 8.666 -11.855 -14.172 1.00 14.20 H new ATOM 0 HB2 ASN A 34 9.894 -10.692 -12.085 1.00 53.33 H new ATOM 0 HB3 ASN A 34 9.198 -12.048 -11.220 1.00 53.33 H new ATOM 0 HD21 ASN A 34 11.100 -14.553 -13.066 1.00 40.03 H new ATOM 0 HD22 ASN A 34 9.476 -14.254 -12.439 1.00 40.03 H new ATOM 547 N THR A 35 7.271 -13.826 -13.654 1.00 74.11 N ATOM 548 CA THR A 35 6.389 -14.963 -13.423 1.00 12.31 C ATOM 549 C THR A 35 7.074 -16.273 -13.793 1.00 61.13 C ATOM 550 O THR A 35 8.221 -16.282 -14.236 1.00 3.51 O ATOM 551 CB THR A 35 5.083 -14.834 -14.230 1.00 34.43 C ATOM 552 OG1 THR A 35 5.291 -15.279 -15.575 1.00 35.51 O ATOM 553 CG2 THR A 35 4.592 -13.394 -14.238 1.00 74.45 C ATOM 0 H THR A 35 7.803 -13.874 -14.523 1.00 74.11 H new ATOM 0 HA THR A 35 6.151 -14.968 -12.359 1.00 12.31 H new ATOM 0 HB THR A 35 4.326 -15.458 -13.755 1.00 34.43 H new ATOM 0 HG1 THR A 35 4.814 -16.123 -15.718 1.00 35.51 H new ATOM 0 HG21 THR A 35 3.669 -13.328 -14.814 1.00 74.45 H new ATOM 0 HG22 THR A 35 4.406 -13.067 -13.215 1.00 74.45 H new ATOM 0 HG23 THR A 35 5.349 -12.754 -14.691 1.00 74.45 H new ATOM 561 N GLY A 36 6.361 -17.381 -13.609 1.00 41.31 N ATOM 562 CA GLY A 36 6.917 -18.682 -13.929 1.00 62.30 C ATOM 563 C GLY A 36 7.979 -19.120 -12.938 1.00 73.12 C ATOM 564 O GLY A 36 7.769 -19.057 -11.727 1.00 23.14 O ATOM 0 H GLY A 36 5.409 -17.400 -13.244 1.00 41.31 H new ATOM 0 HA2 GLY A 36 6.116 -19.421 -13.948 1.00 62.30 H new ATOM 0 HA3 GLY A 36 7.348 -18.653 -14.930 1.00 62.30 H new ATOM 568 N ARG A 37 9.120 -19.565 -13.454 1.00 34.51 N ATOM 569 CA ARG A 37 10.215 -20.017 -12.606 1.00 24.55 C ATOM 570 C ARG A 37 11.409 -19.073 -12.710 1.00 45.15 C ATOM 571 O ARG A 37 12.097 -18.812 -11.723 1.00 0.43 O ATOM 572 CB ARG A 37 10.638 -21.435 -12.995 1.00 2.12 C ATOM 573 CG ARG A 37 9.797 -22.521 -12.345 1.00 32.30 C ATOM 574 CD ARG A 37 8.371 -22.512 -12.872 1.00 15.11 C ATOM 575 NE ARG A 37 8.326 -22.519 -14.331 1.00 1.03 N ATOM 576 CZ ARG A 37 8.596 -23.590 -15.070 1.00 11.50 C ATOM 577 NH1 ARG A 37 8.927 -24.734 -14.488 1.00 42.01 N ATOM 578 NH2 ARG A 37 8.535 -23.516 -16.393 1.00 63.43 N ATOM 0 H ARG A 37 9.310 -19.622 -14.455 1.00 34.51 H new ATOM 0 HA ARG A 37 9.864 -20.020 -11.574 1.00 24.55 H new ATOM 0 HB2 ARG A 37 10.577 -21.539 -14.078 1.00 2.12 H new ATOM 0 HB3 ARG A 37 11.682 -21.582 -12.719 1.00 2.12 H new ATOM 0 HG2 ARG A 37 10.249 -23.495 -12.533 1.00 32.30 H new ATOM 0 HG3 ARG A 37 9.788 -22.378 -11.265 1.00 32.30 H new ATOM 0 HD2 ARG A 37 7.838 -23.382 -12.489 1.00 15.11 H new ATOM 0 HD3 ARG A 37 7.852 -21.630 -12.498 1.00 15.11 H new ATOM 0 HE ARG A 37 8.073 -21.654 -14.810 1.00 1.03 H new ATOM 0 HH11 ARG A 37 8.975 -24.794 -13.471 1.00 42.01 H new ATOM 0 HH12 ARG A 37 9.134 -25.555 -15.057 1.00 42.01 H new ATOM 0 HH21 ARG A 37 8.281 -22.637 -16.843 1.00 63.43 H new ATOM 0 HH22 ARG A 37 8.742 -24.338 -16.960 1.00 63.43 H new ATOM 592 N THR A 38 11.650 -18.563 -13.914 1.00 2.13 N ATOM 593 CA THR A 38 12.761 -17.648 -14.149 1.00 63.42 C ATOM 594 C THR A 38 12.806 -17.201 -15.605 1.00 71.30 C ATOM 595 O THR A 38 13.264 -16.100 -15.911 1.00 75.21 O ATOM 596 CB THR A 38 14.109 -18.296 -13.781 1.00 60.43 C ATOM 597 OG1 THR A 38 15.136 -17.300 -13.737 1.00 10.13 O ATOM 598 CG2 THR A 38 14.484 -19.374 -14.787 1.00 65.11 C ATOM 0 H THR A 38 11.091 -18.768 -14.742 1.00 2.13 H new ATOM 0 HA THR A 38 12.597 -16.780 -13.510 1.00 63.42 H new ATOM 0 HB THR A 38 14.009 -18.757 -12.798 1.00 60.43 H new ATOM 0 HG1 THR A 38 15.989 -17.720 -13.501 1.00 10.13 H new ATOM 0 HG21 THR A 38 15.439 -19.817 -14.506 1.00 65.11 H new ATOM 0 HG22 THR A 38 13.715 -20.146 -14.797 1.00 65.11 H new ATOM 0 HG23 THR A 38 14.567 -18.932 -15.780 1.00 65.11 H new ATOM 606 N GLU A 39 12.329 -18.061 -16.500 1.00 32.13 N ATOM 607 CA GLU A 39 12.315 -17.752 -17.924 1.00 4.42 C ATOM 608 C GLU A 39 10.918 -17.339 -18.379 1.00 25.53 C ATOM 609 O GLU A 39 10.515 -17.614 -19.509 1.00 34.44 O ATOM 610 CB GLU A 39 12.791 -18.960 -18.735 1.00 12.21 C ATOM 611 CG GLU A 39 12.238 -20.284 -18.237 1.00 12.12 C ATOM 612 CD GLU A 39 12.697 -21.460 -19.076 1.00 31.44 C ATOM 613 OE1 GLU A 39 13.799 -21.382 -19.657 1.00 52.32 O ATOM 614 OE2 GLU A 39 11.954 -22.461 -19.149 1.00 74.11 O ATOM 0 H GLU A 39 11.947 -18.977 -16.263 1.00 32.13 H new ATOM 0 HA GLU A 39 12.995 -16.917 -18.095 1.00 4.42 H new ATOM 0 HB2 GLU A 39 12.502 -18.824 -19.777 1.00 12.21 H new ATOM 0 HB3 GLU A 39 13.880 -18.998 -18.709 1.00 12.21 H new ATOM 0 HG2 GLU A 39 12.548 -20.437 -17.203 1.00 12.12 H new ATOM 0 HG3 GLU A 39 11.149 -20.243 -18.241 1.00 12.12 H new ATOM 621 N ALA A 40 10.185 -16.678 -17.489 1.00 40.11 N ATOM 622 CA ALA A 40 8.834 -16.225 -17.799 1.00 34.55 C ATOM 623 C ALA A 40 8.693 -14.723 -17.573 1.00 63.43 C ATOM 624 O ALA A 40 7.666 -14.131 -17.905 1.00 31.43 O ATOM 625 CB ALA A 40 7.819 -16.985 -16.959 1.00 15.11 C ATOM 0 H ALA A 40 10.503 -16.444 -16.549 1.00 40.11 H new ATOM 0 HA ALA A 40 8.642 -16.426 -18.853 1.00 34.55 H new ATOM 0 HB1 ALA A 40 6.814 -16.638 -17.200 1.00 15.11 H new ATOM 0 HB2 ALA A 40 7.895 -18.051 -17.173 1.00 15.11 H new ATOM 0 HB3 ALA A 40 8.019 -16.812 -15.902 1.00 15.11 H new ATOM 631 N TRP A 41 9.729 -14.116 -17.008 1.00 14.34 N ATOM 632 CA TRP A 41 9.720 -12.682 -16.737 1.00 33.32 C ATOM 633 C TRP A 41 9.553 -11.886 -18.026 1.00 54.24 C ATOM 634 O TRP A 41 10.258 -12.121 -19.009 1.00 75.34 O ATOM 635 CB TRP A 41 11.010 -12.267 -16.030 1.00 44.03 C ATOM 636 CG TRP A 41 12.221 -12.345 -16.910 1.00 2.31 C ATOM 637 CD1 TRP A 41 12.776 -13.473 -17.443 1.00 71.33 C ATOM 638 CD2 TRP A 41 13.028 -11.250 -17.357 1.00 53.14 C ATOM 639 NE1 TRP A 41 13.878 -13.146 -18.195 1.00 21.24 N ATOM 640 CE2 TRP A 41 14.054 -11.787 -18.159 1.00 34.40 C ATOM 641 CE3 TRP A 41 12.982 -9.867 -17.161 1.00 32.03 C ATOM 642 CZ2 TRP A 41 15.023 -10.991 -18.761 1.00 12.30 C ATOM 643 CZ3 TRP A 41 13.945 -9.077 -17.759 1.00 21.01 C ATOM 644 CH2 TRP A 41 14.954 -9.640 -18.551 1.00 2.22 C ATOM 0 H TRP A 41 10.586 -14.593 -16.728 1.00 14.34 H new ATOM 0 HA TRP A 41 8.873 -12.466 -16.086 1.00 33.32 H new ATOM 0 HB2 TRP A 41 10.902 -11.247 -15.662 1.00 44.03 H new ATOM 0 HB3 TRP A 41 11.160 -12.906 -15.160 1.00 44.03 H new ATOM 0 HD1 TRP A 41 12.403 -14.476 -17.295 1.00 71.33 H new ATOM 0 HE1 TRP A 41 14.469 -13.807 -18.699 1.00 21.24 H new ATOM 0 HE3 TRP A 41 12.207 -9.424 -16.553 1.00 32.03 H new ATOM 0 HZ2 TRP A 41 15.802 -11.423 -19.372 1.00 12.30 H new ATOM 0 HZ3 TRP A 41 13.919 -8.007 -17.613 1.00 21.01 H new ATOM 0 HH2 TRP A 41 15.692 -8.995 -19.005 1.00 2.22 H new ATOM 655 N LYS A 42 8.617 -10.943 -18.017 1.00 44.32 N ATOM 656 CA LYS A 42 8.358 -10.110 -19.187 1.00 24.15 C ATOM 657 C LYS A 42 8.355 -8.632 -18.811 1.00 54.52 C ATOM 658 O LYS A 42 8.065 -8.271 -17.670 1.00 72.21 O ATOM 659 CB LYS A 42 7.020 -10.489 -19.823 1.00 30.30 C ATOM 660 CG LYS A 42 5.849 -10.434 -18.855 1.00 42.52 C ATOM 661 CD LYS A 42 5.465 -11.818 -18.365 1.00 73.34 C ATOM 662 CE LYS A 42 4.303 -11.760 -17.385 1.00 2.12 C ATOM 663 NZ LYS A 42 3.344 -12.879 -17.594 1.00 32.22 N ATOM 0 H LYS A 42 8.025 -10.736 -17.213 1.00 44.32 H new ATOM 0 HA LYS A 42 9.156 -10.282 -19.909 1.00 24.15 H new ATOM 0 HB2 LYS A 42 6.822 -9.818 -20.659 1.00 30.30 H new ATOM 0 HB3 LYS A 42 7.094 -11.496 -20.233 1.00 30.30 H new ATOM 0 HG2 LYS A 42 6.109 -9.805 -18.004 1.00 42.52 H new ATOM 0 HG3 LYS A 42 4.993 -9.970 -19.345 1.00 42.52 H new ATOM 0 HD2 LYS A 42 5.194 -12.444 -19.215 1.00 73.34 H new ATOM 0 HD3 LYS A 42 6.324 -12.287 -17.885 1.00 73.34 H new ATOM 0 HE2 LYS A 42 4.686 -11.796 -16.365 1.00 2.12 H new ATOM 0 HE3 LYS A 42 3.781 -10.809 -17.496 1.00 2.12 H new ATOM 0 HZ1 LYS A 42 2.391 -12.578 -17.306 1.00 32.22 H new ATOM 0 HZ2 LYS A 42 3.334 -13.144 -18.600 1.00 32.22 H new ATOM 0 HZ3 LYS A 42 3.636 -13.698 -17.023 1.00 32.22 H new ATOM 677 N VAL A 43 8.675 -7.779 -19.778 1.00 44.30 N ATOM 678 CA VAL A 43 8.706 -6.339 -19.550 1.00 11.31 C ATOM 679 C VAL A 43 7.426 -5.677 -20.047 1.00 44.44 C ATOM 680 O VAL A 43 7.083 -5.772 -21.227 1.00 2.01 O ATOM 681 CB VAL A 43 9.914 -5.686 -20.247 1.00 23.04 C ATOM 682 CG1 VAL A 43 9.897 -4.178 -20.042 1.00 45.22 C ATOM 683 CG2 VAL A 43 11.215 -6.287 -19.734 1.00 55.24 C ATOM 0 H VAL A 43 8.917 -8.060 -20.728 1.00 44.30 H new ATOM 0 HA VAL A 43 8.794 -6.190 -18.474 1.00 11.31 H new ATOM 0 HB VAL A 43 9.846 -5.885 -21.317 1.00 23.04 H new ATOM 0 HG11 VAL A 43 10.758 -3.733 -20.541 1.00 45.22 H new ATOM 0 HG12 VAL A 43 8.980 -3.764 -20.462 1.00 45.22 H new ATOM 0 HG13 VAL A 43 9.941 -3.955 -18.976 1.00 45.22 H new ATOM 0 HG21 VAL A 43 12.058 -5.814 -20.238 1.00 55.24 H new ATOM 0 HG22 VAL A 43 11.294 -6.120 -18.660 1.00 55.24 H new ATOM 0 HG23 VAL A 43 11.226 -7.358 -19.937 1.00 55.24 H new ATOM 693 N LEU A 44 6.724 -5.005 -19.142 1.00 12.52 N ATOM 694 CA LEU A 44 5.481 -4.324 -19.488 1.00 51.13 C ATOM 695 C LEU A 44 5.750 -2.890 -19.930 1.00 1.15 C ATOM 696 O LEU A 44 6.661 -2.234 -19.423 1.00 3.22 O ATOM 697 CB LEU A 44 4.523 -4.332 -18.296 1.00 61.35 C ATOM 698 CG LEU A 44 3.610 -5.553 -18.177 1.00 15.31 C ATOM 699 CD1 LEU A 44 2.560 -5.544 -19.276 1.00 43.23 C ATOM 700 CD2 LEU A 44 4.426 -6.837 -18.226 1.00 14.40 C ATOM 0 H LEU A 44 6.994 -4.917 -18.162 1.00 12.52 H new ATOM 0 HA LEU A 44 5.021 -4.860 -20.319 1.00 51.13 H new ATOM 0 HB2 LEU A 44 5.111 -4.253 -17.382 1.00 61.35 H new ATOM 0 HB3 LEU A 44 3.899 -3.440 -18.351 1.00 61.35 H new ATOM 0 HG LEU A 44 3.099 -5.508 -17.215 1.00 15.31 H new ATOM 0 HD11 LEU A 44 1.920 -6.420 -19.175 1.00 43.23 H new ATOM 0 HD12 LEU A 44 1.955 -4.641 -19.194 1.00 43.23 H new ATOM 0 HD13 LEU A 44 3.051 -5.564 -20.249 1.00 43.23 H new ATOM 0 HD21 LEU A 44 3.760 -7.695 -18.140 1.00 14.40 H new ATOM 0 HD22 LEU A 44 4.965 -6.890 -19.172 1.00 14.40 H new ATOM 0 HD23 LEU A 44 5.139 -6.847 -17.401 1.00 14.40 H new ATOM 712 N SER A 45 4.950 -2.406 -20.875 1.00 64.10 N ATOM 713 CA SER A 45 5.104 -1.049 -21.386 1.00 74.05 C ATOM 714 C SER A 45 3.793 -0.275 -21.274 1.00 60.53 C ATOM 715 O SER A 45 2.717 -0.849 -21.101 1.00 72.23 O ATOM 716 CB SER A 45 5.568 -1.080 -22.843 1.00 1.21 C ATOM 717 OG SER A 45 6.029 -2.370 -23.205 1.00 13.13 O ATOM 0 H SER A 45 4.189 -2.934 -21.302 1.00 64.10 H new ATOM 0 HA SER A 45 5.858 -0.543 -20.783 1.00 74.05 H new ATOM 0 HB2 SER A 45 4.745 -0.788 -23.496 1.00 1.21 H new ATOM 0 HB3 SER A 45 6.365 -0.351 -22.989 1.00 1.21 H new ATOM 0 HG SER A 45 6.318 -2.363 -24.141 1.00 13.13 H new ATOM 723 N PRO A 46 3.884 1.058 -21.376 1.00 3.44 N ATOM 724 CA PRO A 46 2.716 1.940 -21.290 1.00 33.15 C ATOM 725 C PRO A 46 1.802 1.812 -22.503 1.00 43.45 C ATOM 726 O PRO A 46 0.803 2.521 -22.616 1.00 51.20 O ATOM 727 CB PRO A 46 3.332 3.341 -21.230 1.00 21.34 C ATOM 728 CG PRO A 46 4.656 3.200 -21.897 1.00 23.23 C ATOM 729 CD PRO A 46 5.134 1.809 -21.583 1.00 33.12 C ATOM 0 HA PRO A 46 2.086 1.699 -20.433 1.00 33.15 H new ATOM 0 HB2 PRO A 46 2.706 4.071 -21.743 1.00 21.34 H new ATOM 0 HB3 PRO A 46 3.441 3.682 -20.200 1.00 21.34 H new ATOM 0 HG2 PRO A 46 4.568 3.348 -22.973 1.00 23.23 H new ATOM 0 HG3 PRO A 46 5.360 3.947 -21.529 1.00 23.23 H new ATOM 0 HD2 PRO A 46 5.723 1.392 -22.400 1.00 33.12 H new ATOM 0 HD3 PRO A 46 5.765 1.792 -20.694 1.00 33.12 H new ATOM 737 N GLN A 47 2.152 0.904 -23.409 1.00 22.21 N ATOM 738 CA GLN A 47 1.362 0.684 -24.615 1.00 2.03 C ATOM 739 C GLN A 47 0.763 -0.718 -24.625 1.00 12.44 C ATOM 740 O GLN A 47 1.448 -1.694 -24.926 1.00 50.20 O ATOM 741 CB GLN A 47 2.227 0.892 -25.860 1.00 34.11 C ATOM 742 CG GLN A 47 1.451 0.780 -27.163 1.00 61.50 C ATOM 743 CD GLN A 47 0.317 1.782 -27.257 1.00 23.43 C ATOM 744 OE1 GLN A 47 0.544 2.991 -27.291 1.00 31.42 O ATOM 745 NE2 GLN A 47 -0.912 1.282 -27.298 1.00 42.22 N ATOM 0 H GLN A 47 2.977 0.309 -23.331 1.00 22.21 H new ATOM 0 HA GLN A 47 0.546 1.407 -24.623 1.00 2.03 H new ATOM 0 HB2 GLN A 47 2.694 1.875 -25.808 1.00 34.11 H new ATOM 0 HB3 GLN A 47 3.031 0.156 -25.861 1.00 34.11 H new ATOM 0 HG2 GLN A 47 2.132 0.929 -28.001 1.00 61.50 H new ATOM 0 HG3 GLN A 47 1.048 -0.228 -27.255 1.00 61.50 H new ATOM 0 HE21 GLN A 47 -1.053 0.272 -27.267 1.00 42.22 H new ATOM 0 HE22 GLN A 47 -1.715 1.908 -27.360 1.00 42.22 H new ATOM 852 N ALA A 56 -1.028 -9.380 -21.336 1.00 21.11 N ATOM 853 CA ALA A 56 -1.461 -8.285 -20.477 1.00 35.05 C ATOM 854 C ALA A 56 -1.313 -6.942 -21.182 1.00 44.41 C ATOM 855 O ALA A 56 -0.490 -6.792 -22.087 1.00 30.14 O ATOM 856 CB ALA A 56 -0.671 -8.290 -19.177 1.00 33.21 C ATOM 0 HA ALA A 56 -2.517 -8.431 -20.249 1.00 35.05 H new ATOM 0 HB1 ALA A 56 -1.005 -7.467 -18.545 1.00 33.21 H new ATOM 0 HB2 ALA A 56 -0.832 -9.235 -18.657 1.00 33.21 H new ATOM 0 HB3 ALA A 56 0.390 -8.172 -19.396 1.00 33.21 H new ATOM 862 N ARG A 57 -2.113 -5.967 -20.763 1.00 43.12 N ATOM 863 CA ARG A 57 -2.072 -4.636 -21.357 1.00 44.42 C ATOM 864 C ARG A 57 -2.031 -3.559 -20.277 1.00 21.43 C ATOM 865 O ARG A 57 -2.391 -3.806 -19.126 1.00 74.33 O ATOM 866 CB ARG A 57 -3.286 -4.420 -22.262 1.00 72.01 C ATOM 867 CG ARG A 57 -3.663 -5.645 -23.079 1.00 10.32 C ATOM 868 CD ARG A 57 -4.705 -6.491 -22.365 1.00 35.44 C ATOM 869 NE ARG A 57 -5.996 -6.459 -23.045 1.00 53.15 N ATOM 870 CZ ARG A 57 -7.153 -6.708 -22.441 1.00 70.51 C ATOM 871 NH1 ARG A 57 -7.178 -7.006 -21.148 1.00 54.23 N ATOM 872 NH2 ARG A 57 -8.286 -6.660 -23.128 1.00 32.41 N ATOM 0 H ARG A 57 -2.798 -6.074 -20.014 1.00 43.12 H new ATOM 0 HA ARG A 57 -1.164 -4.561 -21.955 1.00 44.42 H new ATOM 0 HB2 ARG A 57 -4.138 -4.127 -21.649 1.00 72.01 H new ATOM 0 HB3 ARG A 57 -3.081 -3.591 -22.939 1.00 72.01 H new ATOM 0 HG2 ARG A 57 -4.049 -5.332 -24.049 1.00 10.32 H new ATOM 0 HG3 ARG A 57 -2.773 -6.245 -23.269 1.00 10.32 H new ATOM 0 HD2 ARG A 57 -4.354 -7.521 -22.302 1.00 35.44 H new ATOM 0 HD3 ARG A 57 -4.825 -6.132 -21.343 1.00 35.44 H new ATOM 0 HE ARG A 57 -6.011 -6.233 -24.040 1.00 53.15 H new ATOM 0 HH11 ARG A 57 -6.308 -7.044 -20.617 1.00 54.23 H new ATOM 0 HH12 ARG A 57 -8.067 -7.197 -20.686 1.00 54.23 H new ATOM 0 HH21 ARG A 57 -8.270 -6.432 -24.122 1.00 32.41 H new ATOM 0 HH22 ARG A 57 -9.173 -6.851 -22.663 1.00 32.41 H new ATOM 886 N VAL A 58 -1.589 -2.365 -20.656 1.00 2.23 N ATOM 887 CA VAL A 58 -1.500 -1.250 -19.720 1.00 32.10 C ATOM 888 C VAL A 58 -2.559 -0.194 -20.021 1.00 61.25 C ATOM 889 O VAL A 58 -2.705 0.245 -21.161 1.00 45.44 O ATOM 890 CB VAL A 58 -0.109 -0.591 -19.759 1.00 71.10 C ATOM 891 CG1 VAL A 58 -0.170 0.821 -19.198 1.00 4.14 C ATOM 892 CG2 VAL A 58 0.901 -1.435 -18.996 1.00 34.25 C ATOM 0 H VAL A 58 -1.287 -2.144 -21.605 1.00 2.23 H new ATOM 0 HA VAL A 58 -1.671 -1.660 -18.724 1.00 32.10 H new ATOM 0 HB VAL A 58 0.215 -0.528 -20.798 1.00 71.10 H new ATOM 0 HG11 VAL A 58 0.823 1.270 -19.234 1.00 4.14 H new ATOM 0 HG12 VAL A 58 -0.861 1.419 -19.792 1.00 4.14 H new ATOM 0 HG13 VAL A 58 -0.516 0.787 -18.165 1.00 4.14 H new ATOM 0 HG21 VAL A 58 1.879 -0.955 -19.034 1.00 34.25 H new ATOM 0 HG22 VAL A 58 0.584 -1.532 -17.958 1.00 34.25 H new ATOM 0 HG23 VAL A 58 0.965 -2.424 -19.449 1.00 34.25 H new ATOM 902 N LEU A 59 -3.294 0.208 -18.990 1.00 52.45 N ATOM 903 CA LEU A 59 -4.340 1.214 -19.145 1.00 35.01 C ATOM 904 C LEU A 59 -3.738 2.589 -19.413 1.00 42.12 C ATOM 905 O LEU A 59 -2.575 2.855 -19.109 1.00 32.03 O ATOM 906 CB LEU A 59 -5.216 1.264 -17.891 1.00 31.24 C ATOM 907 CG LEU A 59 -6.269 0.163 -17.764 1.00 52.43 C ATOM 908 CD1 LEU A 59 -6.878 0.166 -16.371 1.00 20.13 C ATOM 909 CD2 LEU A 59 -7.351 0.336 -18.820 1.00 43.54 C ATOM 0 H LEU A 59 -3.186 -0.146 -18.040 1.00 52.45 H new ATOM 0 HA LEU A 59 -4.955 0.934 -20.000 1.00 35.01 H new ATOM 0 HB2 LEU A 59 -4.567 1.221 -17.017 1.00 31.24 H new ATOM 0 HB3 LEU A 59 -5.723 2.229 -17.864 1.00 31.24 H new ATOM 0 HG LEU A 59 -5.782 -0.799 -17.924 1.00 52.43 H new ATOM 0 HD11 LEU A 59 -7.625 -0.624 -16.299 1.00 20.13 H new ATOM 0 HD12 LEU A 59 -6.096 -0.006 -15.632 1.00 20.13 H new ATOM 0 HD13 LEU A 59 -7.350 1.130 -16.182 1.00 20.13 H new ATOM 0 HD21 LEU A 59 -8.092 -0.456 -18.715 1.00 43.54 H new ATOM 0 HD22 LEU A 59 -7.834 1.304 -18.691 1.00 43.54 H new ATOM 0 HD23 LEU A 59 -6.903 0.284 -19.812 1.00 43.54 H new ATOM 921 N PRO A 60 -4.547 3.486 -19.997 1.00 13.03 N ATOM 922 CA PRO A 60 -4.117 4.850 -20.317 1.00 1.33 C ATOM 923 C PRO A 60 -3.911 5.701 -19.068 1.00 13.43 C ATOM 924 O PRO A 60 -3.194 6.700 -19.097 1.00 41.24 O ATOM 925 CB PRO A 60 -5.275 5.401 -21.154 1.00 63.51 C ATOM 926 CG PRO A 60 -6.461 4.609 -20.726 1.00 31.41 C ATOM 927 CD PRO A 60 -5.945 3.237 -20.388 1.00 12.41 C ATOM 0 HA PRO A 60 -3.157 4.864 -20.832 1.00 1.33 H new ATOM 0 HB2 PRO A 60 -5.423 6.466 -20.973 1.00 63.51 H new ATOM 0 HB3 PRO A 60 -5.084 5.283 -22.221 1.00 63.51 H new ATOM 0 HG2 PRO A 60 -6.945 5.067 -19.863 1.00 31.41 H new ATOM 0 HG3 PRO A 60 -7.205 4.561 -21.521 1.00 31.41 H new ATOM 0 HD2 PRO A 60 -6.514 2.782 -19.577 1.00 12.41 H new ATOM 0 HD3 PRO A 60 -6.010 2.562 -21.241 1.00 12.41 H new ATOM 935 N ASN A 61 -4.546 5.298 -17.972 1.00 72.14 N ATOM 936 CA ASN A 61 -4.433 6.024 -16.712 1.00 3.42 C ATOM 937 C ASN A 61 -3.170 5.615 -15.960 1.00 2.13 C ATOM 938 O ASN A 61 -2.911 6.091 -14.855 1.00 61.44 O ATOM 939 CB ASN A 61 -5.664 5.772 -15.840 1.00 50.34 C ATOM 940 CG ASN A 61 -6.160 4.342 -15.941 1.00 42.20 C ATOM 941 OD1 ASN A 61 -6.798 3.962 -16.922 1.00 70.04 O ATOM 942 ND2 ASN A 61 -5.866 3.541 -14.923 1.00 13.24 N ATOM 0 H ASN A 61 -5.144 4.473 -17.931 1.00 72.14 H new ATOM 0 HA ASN A 61 -4.371 7.088 -16.940 1.00 3.42 H new ATOM 0 HB2 ASN A 61 -5.423 5.998 -14.801 1.00 50.34 H new ATOM 0 HB3 ASN A 61 -6.462 6.453 -16.137 1.00 50.34 H new ATOM 0 HD21 ASN A 61 -6.172 2.568 -14.935 1.00 13.24 H new ATOM 0 HD22 ASN A 61 -5.334 3.899 -14.129 1.00 13.24 H new ATOM 949 N GLY A 62 -2.387 4.728 -16.567 1.00 31.11 N ATOM 950 CA GLY A 62 -1.161 4.269 -15.941 1.00 21.10 C ATOM 951 C GLY A 62 -1.375 3.040 -15.080 1.00 61.41 C ATOM 952 O GLY A 62 -0.666 2.833 -14.095 1.00 64.43 O ATOM 0 H GLY A 62 -2.580 4.319 -17.481 1.00 31.11 H new ATOM 0 HA2 GLY A 62 -0.425 4.045 -16.713 1.00 21.10 H new ATOM 0 HA3 GLY A 62 -0.747 5.070 -15.329 1.00 21.10 H new ATOM 956 N SER A 63 -2.356 2.223 -15.450 1.00 13.45 N ATOM 957 CA SER A 63 -2.665 1.011 -14.701 1.00 33.24 C ATOM 958 C SER A 63 -2.368 -0.233 -15.533 1.00 3.32 C ATOM 959 O SER A 63 -1.907 -0.137 -16.671 1.00 44.21 O ATOM 960 CB SER A 63 -4.134 1.012 -14.273 1.00 20.33 C ATOM 961 OG SER A 63 -4.345 1.886 -13.178 1.00 12.04 O ATOM 0 H SER A 63 -2.950 2.379 -16.264 1.00 13.45 H new ATOM 0 HA SER A 63 -2.034 0.992 -13.812 1.00 33.24 H new ATOM 0 HB2 SER A 63 -4.760 1.317 -15.112 1.00 20.33 H new ATOM 0 HB3 SER A 63 -4.437 0.001 -13.999 1.00 20.33 H new ATOM 0 HG SER A 63 -5.292 1.870 -12.924 1.00 12.04 H new ATOM 967 N LEU A 64 -2.634 -1.400 -14.958 1.00 1.24 N ATOM 968 CA LEU A 64 -2.395 -2.664 -15.645 1.00 4.34 C ATOM 969 C LEU A 64 -3.630 -3.556 -15.588 1.00 50.24 C ATOM 970 O LEU A 64 -4.179 -3.809 -14.516 1.00 4.12 O ATOM 971 CB LEU A 64 -1.200 -3.388 -15.021 1.00 73.34 C ATOM 972 CG LEU A 64 -1.041 -4.863 -15.391 1.00 33.10 C ATOM 973 CD1 LEU A 64 -0.784 -5.014 -16.883 1.00 51.01 C ATOM 974 CD2 LEU A 64 0.084 -5.497 -14.588 1.00 21.55 C ATOM 0 H LEU A 64 -3.016 -1.497 -14.017 1.00 1.24 H new ATOM 0 HA LEU A 64 -2.175 -2.446 -16.690 1.00 4.34 H new ATOM 0 HB2 LEU A 64 -0.290 -2.862 -15.310 1.00 73.34 H new ATOM 0 HB3 LEU A 64 -1.281 -3.313 -13.937 1.00 73.34 H new ATOM 0 HG LEU A 64 -1.969 -5.380 -15.148 1.00 33.10 H new ATOM 0 HD11 LEU A 64 -0.673 -6.070 -17.128 1.00 51.01 H new ATOM 0 HD12 LEU A 64 -1.623 -4.598 -17.441 1.00 51.01 H new ATOM 0 HD13 LEU A 64 0.129 -4.482 -17.151 1.00 51.01 H new ATOM 0 HD21 LEU A 64 0.182 -6.547 -14.865 1.00 21.55 H new ATOM 0 HD22 LEU A 64 1.019 -4.977 -14.798 1.00 21.55 H new ATOM 0 HD23 LEU A 64 -0.141 -5.422 -13.524 1.00 21.55 H new ATOM 986 N PHE A 65 -4.063 -4.032 -16.752 1.00 21.53 N ATOM 987 CA PHE A 65 -5.234 -4.898 -16.835 1.00 1.32 C ATOM 988 C PHE A 65 -4.901 -6.194 -17.568 1.00 43.41 C ATOM 989 O PHE A 65 -4.232 -6.181 -18.602 1.00 23.21 O ATOM 990 CB PHE A 65 -6.379 -4.175 -17.547 1.00 44.24 C ATOM 991 CG PHE A 65 -7.717 -4.826 -17.345 1.00 34.34 C ATOM 992 CD1 PHE A 65 -7.995 -6.060 -17.908 1.00 65.44 C ATOM 993 CD2 PHE A 65 -8.698 -4.203 -16.588 1.00 44.14 C ATOM 994 CE1 PHE A 65 -9.226 -6.661 -17.723 1.00 42.52 C ATOM 995 CE2 PHE A 65 -9.930 -4.799 -16.399 1.00 63.31 C ATOM 996 CZ PHE A 65 -10.195 -6.030 -16.967 1.00 23.14 C ATOM 0 H PHE A 65 -3.621 -3.833 -17.649 1.00 21.53 H new ATOM 0 HA PHE A 65 -5.545 -5.145 -15.820 1.00 1.32 H new ATOM 0 HB2 PHE A 65 -6.427 -3.146 -17.189 1.00 44.24 H new ATOM 0 HB3 PHE A 65 -6.163 -4.132 -18.614 1.00 44.24 H new ATOM 0 HD1 PHE A 65 -7.241 -6.559 -18.499 1.00 65.44 H new ATOM 0 HD2 PHE A 65 -8.496 -3.241 -16.141 1.00 44.14 H new ATOM 0 HE1 PHE A 65 -9.430 -7.623 -18.169 1.00 42.52 H new ATOM 0 HE2 PHE A 65 -10.685 -4.303 -15.808 1.00 63.31 H new ATOM 0 HZ PHE A 65 -11.157 -6.498 -16.820 1.00 23.14 H new ATOM 1006 N LEU A 66 -5.372 -7.311 -17.026 1.00 63.50 N ATOM 1007 CA LEU A 66 -5.124 -8.617 -17.628 1.00 34.25 C ATOM 1008 C LEU A 66 -6.434 -9.296 -18.013 1.00 30.21 C ATOM 1009 O LEU A 66 -7.370 -9.392 -17.218 1.00 23.54 O ATOM 1010 CB LEU A 66 -4.342 -9.506 -16.659 1.00 43.22 C ATOM 1011 CG LEU A 66 -2.866 -9.155 -16.469 1.00 43.15 C ATOM 1012 CD1 LEU A 66 -2.721 -7.860 -15.685 1.00 15.15 C ATOM 1013 CD2 LEU A 66 -2.133 -10.289 -15.768 1.00 22.44 C ATOM 0 H LEU A 66 -5.928 -7.339 -16.171 1.00 63.50 H new ATOM 0 HA LEU A 66 -4.534 -8.467 -18.532 1.00 34.25 H new ATOM 0 HB2 LEU A 66 -4.832 -9.468 -15.686 1.00 43.22 H new ATOM 0 HB3 LEU A 66 -4.408 -10.536 -17.009 1.00 43.22 H new ATOM 0 HG LEU A 66 -2.418 -9.013 -17.452 1.00 43.15 H new ATOM 0 HD11 LEU A 66 -1.664 -7.627 -15.560 1.00 15.15 H new ATOM 0 HD12 LEU A 66 -3.210 -7.050 -16.227 1.00 15.15 H new ATOM 0 HD13 LEU A 66 -3.186 -7.974 -14.706 1.00 15.15 H new ATOM 0 HD21 LEU A 66 -1.084 -10.021 -15.642 1.00 22.44 H new ATOM 0 HD22 LEU A 66 -2.583 -10.464 -14.791 1.00 22.44 H new ATOM 0 HD23 LEU A 66 -2.206 -11.196 -16.369 1.00 22.44 H new ATOM 1025 N PRO A 67 -6.505 -9.781 -19.261 1.00 50.14 N ATOM 1026 CA PRO A 67 -7.695 -10.462 -19.780 1.00 22.21 C ATOM 1027 C PRO A 67 -7.909 -11.826 -19.134 1.00 35.41 C ATOM 1028 O PRO A 67 -9.045 -12.264 -18.950 1.00 21.52 O ATOM 1029 CB PRO A 67 -7.391 -10.619 -21.273 1.00 32.42 C ATOM 1030 CG PRO A 67 -5.904 -10.614 -21.359 1.00 12.04 C ATOM 1031 CD PRO A 67 -5.428 -9.701 -20.263 1.00 61.01 C ATOM 0 HA PRO A 67 -8.608 -9.903 -19.573 1.00 22.21 H new ATOM 0 HB2 PRO A 67 -7.807 -11.546 -21.666 1.00 32.42 H new ATOM 0 HB3 PRO A 67 -7.824 -9.804 -21.853 1.00 32.42 H new ATOM 0 HG2 PRO A 67 -5.503 -11.619 -21.231 1.00 12.04 H new ATOM 0 HG3 PRO A 67 -5.571 -10.259 -22.334 1.00 12.04 H new ATOM 0 HD2 PRO A 67 -4.473 -10.029 -19.853 1.00 61.01 H new ATOM 0 HD3 PRO A 67 -5.288 -8.681 -20.622 1.00 61.01 H new ATOM 1039 N ALA A 68 -6.812 -12.493 -18.791 1.00 74.01 N ATOM 1040 CA ALA A 68 -6.881 -13.806 -18.163 1.00 60.43 C ATOM 1041 C ALA A 68 -5.519 -14.229 -17.624 1.00 62.11 C ATOM 1042 O ALA A 68 -4.642 -14.646 -18.381 1.00 20.24 O ATOM 1043 CB ALA A 68 -7.402 -14.838 -19.152 1.00 71.22 C ATOM 0 H ALA A 68 -5.864 -12.145 -18.938 1.00 74.01 H new ATOM 0 HA ALA A 68 -7.572 -13.743 -17.322 1.00 60.43 H new ATOM 0 HB1 ALA A 68 -7.448 -15.814 -18.669 1.00 71.22 H new ATOM 0 HB2 ALA A 68 -8.399 -14.551 -19.486 1.00 71.22 H new ATOM 0 HB3 ALA A 68 -6.733 -14.889 -20.011 1.00 71.22 H new ATOM 1049 N VAL A 69 -5.347 -14.118 -16.310 1.00 70.14 N ATOM 1050 CA VAL A 69 -4.090 -14.489 -15.669 1.00 75.45 C ATOM 1051 C VAL A 69 -3.918 -16.004 -15.637 1.00 20.13 C ATOM 1052 O VAL A 69 -4.724 -16.719 -15.044 1.00 65.30 O ATOM 1053 CB VAL A 69 -4.012 -13.943 -14.232 1.00 21.24 C ATOM 1054 CG1 VAL A 69 -3.909 -12.426 -14.241 1.00 3.34 C ATOM 1055 CG2 VAL A 69 -5.216 -14.398 -13.422 1.00 34.53 C ATOM 0 H VAL A 69 -6.062 -13.774 -15.669 1.00 70.14 H new ATOM 0 HA VAL A 69 -3.288 -14.048 -16.261 1.00 75.45 H new ATOM 0 HB VAL A 69 -3.114 -14.342 -13.760 1.00 21.24 H new ATOM 0 HG11 VAL A 69 -3.855 -12.059 -13.216 1.00 3.34 H new ATOM 0 HG12 VAL A 69 -3.012 -12.125 -14.782 1.00 3.34 H new ATOM 0 HG13 VAL A 69 -4.787 -12.005 -14.731 1.00 3.34 H new ATOM 0 HG21 VAL A 69 -5.144 -14.002 -12.409 1.00 34.53 H new ATOM 0 HG22 VAL A 69 -6.129 -14.031 -13.890 1.00 34.53 H new ATOM 0 HG23 VAL A 69 -5.239 -15.487 -13.385 1.00 34.53 H new ATOM 1065 N GLY A 70 -2.858 -16.487 -16.279 1.00 4.14 N ATOM 1066 CA GLY A 70 -2.597 -17.914 -16.310 1.00 70.10 C ATOM 1067 C GLY A 70 -1.709 -18.367 -15.168 1.00 2.11 C ATOM 1068 O GLY A 70 -1.024 -17.554 -14.546 1.00 44.22 O ATOM 0 H GLY A 70 -2.176 -15.916 -16.778 1.00 4.14 H new ATOM 0 HA2 GLY A 70 -3.543 -18.454 -16.267 1.00 70.10 H new ATOM 0 HA3 GLY A 70 -2.125 -18.173 -17.258 1.00 70.10 H new ATOM 1072 N ILE A 71 -1.722 -19.665 -14.889 1.00 63.44 N ATOM 1073 CA ILE A 71 -0.913 -20.224 -13.813 1.00 44.13 C ATOM 1074 C ILE A 71 0.555 -19.842 -13.975 1.00 61.24 C ATOM 1075 O ILE A 71 1.273 -19.672 -12.991 1.00 24.32 O ATOM 1076 CB ILE A 71 -1.029 -21.758 -13.760 1.00 60.43 C ATOM 1077 CG1 ILE A 71 -0.756 -22.263 -12.341 1.00 72.55 C ATOM 1078 CG2 ILE A 71 -0.067 -22.398 -14.749 1.00 44.32 C ATOM 1079 CD1 ILE A 71 0.161 -23.465 -12.293 1.00 43.12 C ATOM 0 H ILE A 71 -2.284 -20.350 -15.393 1.00 63.44 H new ATOM 0 HA ILE A 71 -1.295 -19.807 -12.881 1.00 44.13 H new ATOM 0 HB ILE A 71 -2.045 -22.040 -14.038 1.00 60.43 H new ATOM 0 HG12 ILE A 71 -0.315 -21.456 -11.756 1.00 72.55 H new ATOM 0 HG13 ILE A 71 -1.703 -22.520 -11.867 1.00 72.55 H new ATOM 0 HG21 ILE A 71 -0.162 -23.483 -14.699 1.00 44.32 H new ATOM 0 HG22 ILE A 71 -0.304 -22.059 -15.758 1.00 44.32 H new ATOM 0 HG23 ILE A 71 0.955 -22.111 -14.500 1.00 44.32 H new ATOM 0 HD11 ILE A 71 0.310 -23.768 -11.257 1.00 43.12 H new ATOM 0 HD12 ILE A 71 -0.287 -24.287 -12.851 1.00 43.12 H new ATOM 0 HD13 ILE A 71 1.122 -23.207 -12.737 1.00 43.12 H new ATOM 1091 N GLN A 72 0.992 -19.708 -15.224 1.00 32.53 N ATOM 1092 CA GLN A 72 2.374 -19.345 -15.513 1.00 64.21 C ATOM 1093 C GLN A 72 2.611 -17.859 -15.261 1.00 62.33 C ATOM 1094 O GLN A 72 3.744 -17.430 -15.042 1.00 54.25 O ATOM 1095 CB GLN A 72 2.721 -19.689 -16.963 1.00 72.05 C ATOM 1096 CG GLN A 72 2.870 -21.181 -17.214 1.00 43.12 C ATOM 1097 CD GLN A 72 3.648 -21.485 -18.480 1.00 14.12 C ATOM 1098 OE1 GLN A 72 3.150 -22.159 -19.382 1.00 61.51 O ATOM 1099 NE2 GLN A 72 4.877 -20.988 -18.553 1.00 2.33 N ATOM 0 H GLN A 72 0.410 -19.845 -16.050 1.00 32.53 H new ATOM 0 HA GLN A 72 3.020 -19.916 -14.846 1.00 64.21 H new ATOM 0 HB2 GLN A 72 1.944 -19.294 -17.618 1.00 72.05 H new ATOM 0 HB3 GLN A 72 3.651 -19.188 -17.234 1.00 72.05 H new ATOM 0 HG2 GLN A 72 3.374 -21.640 -16.363 1.00 43.12 H new ATOM 0 HG3 GLN A 72 1.881 -21.635 -17.282 1.00 43.12 H new ATOM 0 HE21 GLN A 72 5.250 -20.435 -17.782 1.00 2.33 H new ATOM 0 HE22 GLN A 72 5.448 -21.160 -19.380 1.00 2.33 H new ATOM 1108 N ASP A 73 1.536 -17.080 -15.293 1.00 41.14 N ATOM 1109 CA ASP A 73 1.627 -15.642 -15.067 1.00 71.33 C ATOM 1110 C ASP A 73 1.848 -15.338 -13.589 1.00 50.15 C ATOM 1111 O ASP A 73 2.041 -14.185 -13.206 1.00 41.32 O ATOM 1112 CB ASP A 73 0.357 -14.946 -15.560 1.00 30.25 C ATOM 1113 CG ASP A 73 0.556 -14.256 -16.895 1.00 54.41 C ATOM 1114 OD1 ASP A 73 0.846 -14.956 -17.888 1.00 4.24 O ATOM 1115 OD2 ASP A 73 0.421 -13.016 -16.947 1.00 15.15 O ATOM 0 H ASP A 73 0.591 -17.420 -15.473 1.00 41.14 H new ATOM 0 HA ASP A 73 2.481 -15.263 -15.629 1.00 71.33 H new ATOM 0 HB2 ASP A 73 -0.444 -15.679 -15.649 1.00 30.25 H new ATOM 0 HB3 ASP A 73 0.037 -14.213 -14.820 1.00 30.25 H new ATOM 1120 N GLU A 74 1.817 -16.379 -12.764 1.00 64.34 N ATOM 1121 CA GLU A 74 2.013 -16.222 -11.328 1.00 35.14 C ATOM 1122 C GLU A 74 3.441 -15.786 -11.018 1.00 3.44 C ATOM 1123 O GLU A 74 4.393 -16.242 -11.651 1.00 11.52 O ATOM 1124 CB GLU A 74 1.699 -17.532 -10.601 1.00 13.45 C ATOM 1125 CG GLU A 74 2.770 -18.595 -10.773 1.00 70.44 C ATOM 1126 CD GLU A 74 3.670 -18.718 -9.559 1.00 44.24 C ATOM 1127 OE1 GLU A 74 3.158 -18.612 -8.426 1.00 53.12 O ATOM 1128 OE2 GLU A 74 4.889 -18.919 -9.744 1.00 25.52 O ATOM 0 H GLU A 74 1.658 -17.340 -13.065 1.00 64.34 H new ATOM 0 HA GLU A 74 1.331 -15.448 -10.977 1.00 35.14 H new ATOM 0 HB2 GLU A 74 1.571 -17.326 -9.538 1.00 13.45 H new ATOM 0 HB3 GLU A 74 0.749 -17.922 -10.967 1.00 13.45 H new ATOM 0 HG2 GLU A 74 2.295 -19.556 -10.967 1.00 70.44 H new ATOM 0 HG3 GLU A 74 3.376 -18.357 -11.647 1.00 70.44 H new ATOM 1135 N GLY A 75 3.584 -14.897 -10.038 1.00 24.31 N ATOM 1136 CA GLY A 75 4.899 -14.414 -9.661 1.00 50.51 C ATOM 1137 C GLY A 75 4.841 -13.091 -8.923 1.00 54.41 C ATOM 1138 O GLY A 75 3.971 -12.884 -8.076 1.00 2.01 O ATOM 0 H GLY A 75 2.812 -14.504 -9.499 1.00 24.31 H new ATOM 0 HA2 GLY A 75 5.389 -15.157 -9.031 1.00 50.51 H new ATOM 0 HA3 GLY A 75 5.511 -14.301 -10.556 1.00 50.51 H new ATOM 1142 N ILE A 76 5.768 -12.195 -9.244 1.00 34.12 N ATOM 1143 CA ILE A 76 5.818 -10.887 -8.604 1.00 3.42 C ATOM 1144 C ILE A 76 5.760 -9.767 -9.637 1.00 53.10 C ATOM 1145 O ILE A 76 6.504 -9.772 -10.617 1.00 61.15 O ATOM 1146 CB ILE A 76 7.094 -10.722 -7.757 1.00 22.20 C ATOM 1147 CG1 ILE A 76 7.010 -11.583 -6.495 1.00 52.31 C ATOM 1148 CG2 ILE A 76 7.303 -9.259 -7.394 1.00 24.11 C ATOM 1149 CD1 ILE A 76 7.845 -12.842 -6.566 1.00 5.33 C ATOM 0 H ILE A 76 6.494 -12.351 -9.943 1.00 34.12 H new ATOM 0 HA ILE A 76 4.947 -10.822 -7.951 1.00 3.42 H new ATOM 0 HB ILE A 76 7.949 -11.056 -8.345 1.00 22.20 H new ATOM 0 HG12 ILE A 76 7.332 -10.991 -5.639 1.00 52.31 H new ATOM 0 HG13 ILE A 76 5.969 -11.856 -6.320 1.00 52.31 H new ATOM 0 HG21 ILE A 76 8.208 -9.158 -6.796 1.00 24.11 H new ATOM 0 HG22 ILE A 76 7.403 -8.669 -8.305 1.00 24.11 H new ATOM 0 HG23 ILE A 76 6.448 -8.900 -6.821 1.00 24.11 H new ATOM 0 HD11 ILE A 76 7.737 -13.403 -5.638 1.00 5.33 H new ATOM 0 HD12 ILE A 76 7.508 -13.455 -7.402 1.00 5.33 H new ATOM 0 HD13 ILE A 76 8.892 -12.576 -6.710 1.00 5.33 H new ATOM 1161 N PHE A 77 4.870 -8.806 -9.410 1.00 53.23 N ATOM 1162 CA PHE A 77 4.714 -7.678 -10.322 1.00 62.23 C ATOM 1163 C PHE A 77 5.324 -6.411 -9.728 1.00 43.43 C ATOM 1164 O PHE A 77 5.107 -6.095 -8.559 1.00 4.24 O ATOM 1165 CB PHE A 77 3.234 -7.448 -10.633 1.00 55.40 C ATOM 1166 CG PHE A 77 2.939 -6.072 -11.162 1.00 24.23 C ATOM 1167 CD1 PHE A 77 2.976 -5.816 -12.522 1.00 51.22 C ATOM 1168 CD2 PHE A 77 2.626 -5.035 -10.297 1.00 64.42 C ATOM 1169 CE1 PHE A 77 2.706 -4.552 -13.013 1.00 34.43 C ATOM 1170 CE2 PHE A 77 2.355 -3.771 -10.781 1.00 13.45 C ATOM 1171 CZ PHE A 77 2.396 -3.527 -12.140 1.00 72.34 C ATOM 0 H PHE A 77 4.246 -8.786 -8.603 1.00 53.23 H new ATOM 0 HA PHE A 77 5.240 -7.914 -11.247 1.00 62.23 H new ATOM 0 HB2 PHE A 77 2.905 -8.187 -11.363 1.00 55.40 H new ATOM 0 HB3 PHE A 77 2.651 -7.613 -9.727 1.00 55.40 H new ATOM 0 HD1 PHE A 77 3.219 -6.614 -13.208 1.00 51.22 H new ATOM 0 HD2 PHE A 77 2.594 -5.218 -9.233 1.00 64.42 H new ATOM 0 HE1 PHE A 77 2.737 -4.366 -14.076 1.00 34.43 H new ATOM 0 HE2 PHE A 77 2.111 -2.972 -10.097 1.00 13.45 H new ATOM 0 HZ PHE A 77 2.186 -2.538 -12.519 1.00 72.34 H new ATOM 1181 N ARG A 78 6.087 -5.691 -10.544 1.00 63.33 N ATOM 1182 CA ARG A 78 6.731 -4.461 -10.100 1.00 45.34 C ATOM 1183 C ARG A 78 6.454 -3.320 -11.077 1.00 30.54 C ATOM 1184 O ARG A 78 6.472 -3.512 -12.293 1.00 24.42 O ATOM 1185 CB ARG A 78 8.240 -4.671 -9.960 1.00 41.51 C ATOM 1186 CG ARG A 78 8.610 -5.946 -9.221 1.00 63.32 C ATOM 1187 CD ARG A 78 9.118 -7.016 -10.175 1.00 10.30 C ATOM 1188 NE ARG A 78 10.191 -7.811 -9.585 1.00 74.53 N ATOM 1189 CZ ARG A 78 11.068 -8.509 -10.299 1.00 73.52 C ATOM 1190 NH1 ARG A 78 10.999 -8.508 -11.623 1.00 72.11 N ATOM 1191 NH2 ARG A 78 12.015 -9.209 -9.688 1.00 65.22 N ATOM 0 H ARG A 78 6.274 -5.938 -11.516 1.00 63.33 H new ATOM 0 HA ARG A 78 6.317 -4.194 -9.128 1.00 45.34 H new ATOM 0 HB2 ARG A 78 8.689 -4.693 -10.953 1.00 41.51 H new ATOM 0 HB3 ARG A 78 8.670 -3.818 -9.434 1.00 41.51 H new ATOM 0 HG2 ARG A 78 9.376 -5.727 -8.477 1.00 63.32 H new ATOM 0 HG3 ARG A 78 7.740 -6.321 -8.682 1.00 63.32 H new ATOM 0 HD2 ARG A 78 8.294 -7.672 -10.456 1.00 10.30 H new ATOM 0 HD3 ARG A 78 9.477 -6.545 -11.090 1.00 10.30 H new ATOM 0 HE ARG A 78 10.272 -7.832 -8.568 1.00 74.53 H new ATOM 0 HH11 ARG A 78 10.272 -7.971 -12.095 1.00 72.11 H new ATOM 0 HH12 ARG A 78 11.673 -9.044 -12.169 1.00 72.11 H new ATOM 0 HH21 ARG A 78 12.070 -9.212 -8.670 1.00 65.22 H new ATOM 0 HH22 ARG A 78 12.688 -9.744 -10.237 1.00 65.22 H new ATOM 1205 N CYS A 79 6.197 -2.134 -10.535 1.00 24.24 N ATOM 1206 CA CYS A 79 5.916 -0.964 -11.356 1.00 4.44 C ATOM 1207 C CYS A 79 6.853 0.187 -11.002 1.00 14.04 C ATOM 1208 O CYS A 79 7.388 0.247 -9.894 1.00 53.43 O ATOM 1209 CB CYS A 79 4.462 -0.526 -11.175 1.00 13.20 C ATOM 1210 SG CYS A 79 3.876 0.650 -12.438 1.00 43.24 S ATOM 0 H CYS A 79 6.178 -1.959 -9.530 1.00 24.24 H new ATOM 0 HA CYS A 79 6.080 -1.235 -12.399 1.00 4.44 H new ATOM 0 HB2 CYS A 79 3.823 -1.409 -11.192 1.00 13.20 H new ATOM 0 HB3 CYS A 79 4.351 -0.071 -10.191 1.00 13.20 H new ATOM 1215 N GLN A 80 7.046 1.100 -11.949 1.00 62.11 N ATOM 1216 CA GLN A 80 7.919 2.249 -11.737 1.00 62.53 C ATOM 1217 C GLN A 80 7.327 3.505 -12.365 1.00 45.32 C ATOM 1218 O GLN A 80 6.853 3.479 -13.501 1.00 4.14 O ATOM 1219 CB GLN A 80 9.306 1.976 -12.321 1.00 4.24 C ATOM 1220 CG GLN A 80 9.911 3.174 -13.037 1.00 73.14 C ATOM 1221 CD GLN A 80 11.365 2.961 -13.406 1.00 63.14 C ATOM 1222 OE1 GLN A 80 11.950 1.922 -13.097 1.00 25.41 O ATOM 1223 NE2 GLN A 80 11.958 3.945 -14.071 1.00 71.10 N ATOM 0 H GLN A 80 6.610 1.066 -12.870 1.00 62.11 H new ATOM 0 HA GLN A 80 8.011 2.411 -10.663 1.00 62.53 H new ATOM 0 HB2 GLN A 80 9.975 1.667 -11.518 1.00 4.24 H new ATOM 0 HB3 GLN A 80 9.239 1.141 -13.019 1.00 4.24 H new ATOM 0 HG2 GLN A 80 9.337 3.380 -13.941 1.00 73.14 H new ATOM 0 HG3 GLN A 80 9.827 4.054 -12.399 1.00 73.14 H new ATOM 0 HE21 GLN A 80 11.435 4.789 -14.307 1.00 71.10 H new ATOM 0 HE22 GLN A 80 12.936 3.857 -14.346 1.00 71.10 H new ATOM 1232 N ALA A 81 7.357 4.604 -11.619 1.00 3.40 N ATOM 1233 CA ALA A 81 6.826 5.872 -12.105 1.00 72.14 C ATOM 1234 C ALA A 81 7.783 7.020 -11.805 1.00 1.33 C ATOM 1235 O ALA A 81 8.672 6.896 -10.963 1.00 64.02 O ATOM 1236 CB ALA A 81 5.462 6.143 -11.486 1.00 0.52 C ATOM 0 H ALA A 81 7.743 4.642 -10.676 1.00 3.40 H new ATOM 0 HA ALA A 81 6.715 5.801 -13.187 1.00 72.14 H new ATOM 0 HB1 ALA A 81 5.076 7.093 -11.857 1.00 0.52 H new ATOM 0 HB2 ALA A 81 4.774 5.342 -11.756 1.00 0.52 H new ATOM 0 HB3 ALA A 81 5.557 6.189 -10.401 1.00 0.52 H new ATOM 1242 N MET A 82 7.595 8.137 -12.500 1.00 1.45 N ATOM 1243 CA MET A 82 8.443 9.308 -12.306 1.00 42.24 C ATOM 1244 C MET A 82 7.600 10.563 -12.103 1.00 73.34 C ATOM 1245 O MET A 82 6.746 10.888 -12.927 1.00 74.21 O ATOM 1246 CB MET A 82 9.373 9.494 -13.507 1.00 3.34 C ATOM 1247 CG MET A 82 10.279 8.301 -13.764 1.00 23.22 C ATOM 1248 SD MET A 82 11.903 8.782 -14.382 1.00 42.03 S ATOM 1249 CE MET A 82 12.711 9.277 -12.863 1.00 34.02 C ATOM 0 H MET A 82 6.864 8.256 -13.202 1.00 1.45 H new ATOM 0 HA MET A 82 9.043 9.147 -11.411 1.00 42.24 H new ATOM 0 HB2 MET A 82 8.771 9.681 -14.396 1.00 3.34 H new ATOM 0 HB3 MET A 82 9.988 10.379 -13.346 1.00 3.34 H new ATOM 0 HG2 MET A 82 10.399 7.735 -12.840 1.00 23.22 H new ATOM 0 HG3 MET A 82 9.803 7.637 -14.485 1.00 23.22 H new ATOM 0 HE1 MET A 82 13.583 9.888 -13.097 1.00 34.02 H new ATOM 0 HE2 MET A 82 12.016 9.854 -12.253 1.00 34.02 H new ATOM 0 HE3 MET A 82 13.027 8.390 -12.313 1.00 34.02 H new ATOM 1259 N ASN A 83 7.846 11.264 -11.001 1.00 73.34 N ATOM 1260 CA ASN A 83 7.106 12.482 -10.690 1.00 23.34 C ATOM 1261 C ASN A 83 7.821 13.709 -11.249 1.00 31.33 C ATOM 1262 O ASN A 83 8.942 13.613 -11.747 1.00 5.25 O ATOM 1263 CB ASN A 83 6.933 12.626 -9.176 1.00 63.43 C ATOM 1264 CG ASN A 83 5.767 11.812 -8.648 1.00 62.51 C ATOM 1265 OD1 ASN A 83 4.681 12.342 -8.415 1.00 13.05 O ATOM 1266 ND2 ASN A 83 5.988 10.517 -8.457 1.00 24.22 N ATOM 0 H ASN A 83 8.551 11.010 -10.309 1.00 73.34 H new ATOM 0 HA ASN A 83 6.123 12.410 -11.157 1.00 23.34 H new ATOM 0 HB2 ASN A 83 7.849 12.310 -8.677 1.00 63.43 H new ATOM 0 HB3 ASN A 83 6.781 13.677 -8.929 1.00 63.43 H new ATOM 0 HD21 ASN A 83 5.241 9.919 -8.103 1.00 24.22 H new ATOM 0 HD22 ASN A 83 6.905 10.120 -8.664 1.00 24.22 H new ATOM 1273 N ARG A 84 7.162 14.860 -11.163 1.00 2.34 N ATOM 1274 CA ARG A 84 7.734 16.105 -11.662 1.00 12.13 C ATOM 1275 C ARG A 84 8.879 16.574 -10.768 1.00 42.12 C ATOM 1276 O ARG A 84 9.707 17.387 -11.178 1.00 71.42 O ATOM 1277 CB ARG A 84 6.658 17.189 -11.740 1.00 13.20 C ATOM 1278 CG ARG A 84 5.801 17.108 -12.993 1.00 51.40 C ATOM 1279 CD ARG A 84 4.928 15.863 -12.991 1.00 45.14 C ATOM 1280 NE ARG A 84 4.126 15.759 -11.775 1.00 12.11 N ATOM 1281 CZ ARG A 84 3.041 16.491 -11.545 1.00 62.10 C ATOM 1282 NH1 ARG A 84 2.632 17.375 -12.444 1.00 41.12 N ATOM 1283 NH2 ARG A 84 2.365 16.339 -10.415 1.00 73.51 N ATOM 0 H ARG A 84 6.233 14.956 -10.753 1.00 2.34 H new ATOM 0 HA ARG A 84 8.128 15.920 -12.661 1.00 12.13 H new ATOM 0 HB2 ARG A 84 6.014 17.113 -10.864 1.00 13.20 H new ATOM 0 HB3 ARG A 84 7.137 18.168 -11.700 1.00 13.20 H new ATOM 0 HG2 ARG A 84 5.171 17.995 -13.063 1.00 51.40 H new ATOM 0 HG3 ARG A 84 6.443 17.103 -13.874 1.00 51.40 H new ATOM 0 HD2 ARG A 84 4.269 15.881 -13.859 1.00 45.14 H new ATOM 0 HD3 ARG A 84 5.558 14.978 -13.087 1.00 45.14 H new ATOM 0 HE ARG A 84 4.414 15.088 -11.063 1.00 12.11 H new ATOM 0 HH11 ARG A 84 3.150 17.494 -13.314 1.00 41.12 H new ATOM 0 HH12 ARG A 84 1.799 17.936 -12.265 1.00 41.12 H new ATOM 0 HH21 ARG A 84 2.678 15.660 -9.721 1.00 73.51 H new ATOM 0 HH22 ARG A 84 1.532 16.901 -10.239 1.00 73.51 H new ATOM 1297 N ASN A 85 8.918 16.056 -9.545 1.00 12.34 N ATOM 1298 CA ASN A 85 9.960 16.423 -8.593 1.00 31.13 C ATOM 1299 C ASN A 85 11.290 15.775 -8.965 1.00 72.30 C ATOM 1300 O ASN A 85 12.353 16.227 -8.542 1.00 64.43 O ATOM 1301 CB ASN A 85 9.556 16.007 -7.176 1.00 53.43 C ATOM 1302 CG ASN A 85 8.632 17.014 -6.519 1.00 41.21 C ATOM 1303 OD1 ASN A 85 9.072 18.066 -6.053 1.00 62.24 O ATOM 1304 ND2 ASN A 85 7.344 16.696 -6.478 1.00 54.24 N ATOM 0 H ASN A 85 8.241 15.381 -9.190 1.00 12.34 H new ATOM 0 HA ASN A 85 10.082 17.506 -8.626 1.00 31.13 H new ATOM 0 HB2 ASN A 85 9.063 15.035 -7.212 1.00 53.43 H new ATOM 0 HB3 ASN A 85 10.451 15.888 -6.566 1.00 53.43 H new ATOM 0 HD21 ASN A 85 6.675 17.334 -6.048 1.00 54.24 H new ATOM 0 HD22 ASN A 85 7.024 15.813 -6.877 1.00 54.24 H new ATOM 1311 N GLY A 86 11.221 14.711 -9.761 1.00 13.11 N ATOM 1312 CA GLY A 86 12.426 14.018 -10.179 1.00 34.21 C ATOM 1313 C GLY A 86 12.568 12.658 -9.523 1.00 55.43 C ATOM 1314 O GLY A 86 13.364 11.829 -9.964 1.00 0.10 O ATOM 0 H GLY A 86 10.353 14.317 -10.123 1.00 13.11 H new ATOM 0 HA2 GLY A 86 12.415 13.896 -11.262 1.00 34.21 H new ATOM 0 HA3 GLY A 86 13.296 14.628 -9.936 1.00 34.21 H new ATOM 1318 N LYS A 87 11.795 12.428 -8.467 1.00 2.33 N ATOM 1319 CA LYS A 87 11.838 11.160 -7.749 1.00 34.20 C ATOM 1320 C LYS A 87 10.931 10.129 -8.412 1.00 70.32 C ATOM 1321 O LYS A 87 9.882 10.470 -8.956 1.00 52.21 O ATOM 1322 CB LYS A 87 11.418 11.362 -6.292 1.00 34.33 C ATOM 1323 CG LYS A 87 12.552 11.816 -5.389 1.00 61.40 C ATOM 1324 CD LYS A 87 12.659 13.330 -5.346 1.00 1.54 C ATOM 1325 CE LYS A 87 13.675 13.846 -6.354 1.00 14.22 C ATOM 1326 NZ LYS A 87 14.464 14.987 -5.813 1.00 34.24 N ATOM 0 H LYS A 87 11.131 13.104 -8.089 1.00 2.33 H new ATOM 0 HA LYS A 87 12.862 10.789 -7.778 1.00 34.20 H new ATOM 0 HB2 LYS A 87 10.616 12.099 -6.253 1.00 34.33 H new ATOM 0 HB3 LYS A 87 11.010 10.427 -5.907 1.00 34.33 H new ATOM 0 HG2 LYS A 87 12.391 11.433 -4.381 1.00 61.40 H new ATOM 0 HG3 LYS A 87 13.492 11.394 -5.744 1.00 61.40 H new ATOM 0 HD2 LYS A 87 11.684 13.771 -5.553 1.00 1.54 H new ATOM 0 HD3 LYS A 87 12.946 13.647 -4.343 1.00 1.54 H new ATOM 0 HE2 LYS A 87 14.351 13.038 -6.634 1.00 14.22 H new ATOM 0 HE3 LYS A 87 13.159 14.159 -7.262 1.00 14.22 H new ATOM 0 HZ1 LYS A 87 15.145 15.309 -6.530 1.00 34.24 H new ATOM 0 HZ2 LYS A 87 13.822 15.768 -5.569 1.00 34.24 H new ATOM 0 HZ3 LYS A 87 14.977 14.682 -4.961 1.00 34.24 H new ATOM 1340 N GLU A 88 11.344 8.866 -8.362 1.00 74.43 N ATOM 1341 CA GLU A 88 10.566 7.784 -8.958 1.00 4.44 C ATOM 1342 C GLU A 88 9.883 6.948 -7.880 1.00 62.52 C ATOM 1343 O GLU A 88 10.440 6.722 -6.806 1.00 1.33 O ATOM 1344 CB GLU A 88 11.466 6.894 -9.817 1.00 14.22 C ATOM 1345 CG GLU A 88 12.189 5.816 -9.027 1.00 1.22 C ATOM 1346 CD GLU A 88 13.144 5.007 -9.883 1.00 53.14 C ATOM 1347 OE1 GLU A 88 13.199 5.252 -11.105 1.00 52.54 O ATOM 1348 OE2 GLU A 88 13.836 4.128 -9.329 1.00 33.25 O ATOM 0 H GLU A 88 12.211 8.567 -7.916 1.00 74.43 H new ATOM 0 HA GLU A 88 9.797 8.228 -9.590 1.00 4.44 H new ATOM 0 HB2 GLU A 88 10.862 6.421 -10.592 1.00 14.22 H new ATOM 0 HB3 GLU A 88 12.203 7.518 -10.323 1.00 14.22 H new ATOM 0 HG2 GLU A 88 12.743 6.279 -8.210 1.00 1.22 H new ATOM 0 HG3 GLU A 88 11.456 5.147 -8.576 1.00 1.22 H new ATOM 1355 N THR A 89 8.670 6.489 -8.175 1.00 63.21 N ATOM 1356 CA THR A 89 7.909 5.678 -7.233 1.00 50.51 C ATOM 1357 C THR A 89 7.901 4.213 -7.650 1.00 70.12 C ATOM 1358 O THR A 89 7.594 3.884 -8.796 1.00 62.41 O ATOM 1359 CB THR A 89 6.456 6.174 -7.111 1.00 41.13 C ATOM 1360 OG1 THR A 89 6.391 7.575 -7.399 1.00 42.40 O ATOM 1361 CG2 THR A 89 5.910 5.912 -5.716 1.00 52.03 C ATOM 0 H THR A 89 8.194 6.666 -9.060 1.00 63.21 H new ATOM 0 HA THR A 89 8.400 5.774 -6.265 1.00 50.51 H new ATOM 0 HB THR A 89 5.847 5.627 -7.831 1.00 41.13 H new ATOM 0 HG1 THR A 89 5.655 7.979 -6.894 1.00 42.40 H new ATOM 0 HG21 THR A 89 4.883 6.271 -5.654 1.00 52.03 H new ATOM 0 HG22 THR A 89 5.934 4.842 -5.511 1.00 52.03 H new ATOM 0 HG23 THR A 89 6.522 6.435 -4.981 1.00 52.03 H new ATOM 1369 N LYS A 90 8.239 3.333 -6.713 1.00 0.53 N ATOM 1370 CA LYS A 90 8.269 1.901 -6.982 1.00 1.14 C ATOM 1371 C LYS A 90 7.120 1.191 -6.273 1.00 64.42 C ATOM 1372 O LYS A 90 6.730 1.570 -5.169 1.00 54.51 O ATOM 1373 CB LYS A 90 9.606 1.305 -6.533 1.00 32.12 C ATOM 1374 CG LYS A 90 10.223 2.021 -5.344 1.00 43.35 C ATOM 1375 CD LYS A 90 11.108 3.175 -5.787 1.00 43.01 C ATOM 1376 CE LYS A 90 12.264 2.690 -6.650 1.00 15.34 C ATOM 1377 NZ LYS A 90 12.951 1.514 -6.047 1.00 51.43 N ATOM 0 H LYS A 90 8.496 3.588 -5.759 1.00 0.53 H new ATOM 0 HA LYS A 90 8.156 1.755 -8.056 1.00 1.14 H new ATOM 0 HB2 LYS A 90 9.459 0.256 -6.278 1.00 32.12 H new ATOM 0 HB3 LYS A 90 10.306 1.335 -7.368 1.00 32.12 H new ATOM 0 HG2 LYS A 90 9.433 2.396 -4.694 1.00 43.35 H new ATOM 0 HG3 LYS A 90 10.811 1.315 -4.757 1.00 43.35 H new ATOM 0 HD2 LYS A 90 10.513 3.898 -6.346 1.00 43.01 H new ATOM 0 HD3 LYS A 90 11.498 3.693 -4.911 1.00 43.01 H new ATOM 0 HE2 LYS A 90 11.892 2.425 -7.640 1.00 15.34 H new ATOM 0 HE3 LYS A 90 12.981 3.500 -6.785 1.00 15.34 H new ATOM 0 HZ1 LYS A 90 13.853 1.350 -6.538 1.00 51.43 H new ATOM 0 HZ2 LYS A 90 13.133 1.697 -5.040 1.00 51.43 H new ATOM 0 HZ3 LYS A 90 12.347 0.673 -6.142 1.00 51.43 H new ATOM 1391 N SER A 91 6.584 0.157 -6.914 1.00 42.22 N ATOM 1392 CA SER A 91 5.479 -0.605 -6.346 1.00 53.13 C ATOM 1393 C SER A 91 5.589 -2.082 -6.716 1.00 5.43 C ATOM 1394 O SER A 91 5.615 -2.438 -7.893 1.00 41.52 O ATOM 1395 CB SER A 91 4.141 -0.045 -6.835 1.00 23.21 C ATOM 1396 OG SER A 91 4.254 1.328 -7.166 1.00 4.05 O ATOM 0 H SER A 91 6.898 -0.172 -7.827 1.00 42.22 H new ATOM 0 HA SER A 91 5.529 -0.515 -5.261 1.00 53.13 H new ATOM 0 HB2 SER A 91 3.805 -0.606 -7.707 1.00 23.21 H new ATOM 0 HB3 SER A 91 3.384 -0.175 -6.061 1.00 23.21 H new ATOM 0 HG SER A 91 4.027 1.457 -8.111 1.00 4.05 H new ATOM 1402 N ASN A 92 5.656 -2.935 -5.700 1.00 65.44 N ATOM 1403 CA ASN A 92 5.766 -4.374 -5.917 1.00 13.32 C ATOM 1404 C ASN A 92 4.565 -5.105 -5.326 1.00 73.14 C ATOM 1405 O ASN A 92 4.263 -4.971 -4.140 1.00 22.15 O ATOM 1406 CB ASN A 92 7.058 -4.908 -5.295 1.00 11.54 C ATOM 1407 CG ASN A 92 7.305 -6.365 -5.635 1.00 53.04 C ATOM 1408 OD1 ASN A 92 8.183 -6.687 -6.435 1.00 71.10 O ATOM 1409 ND2 ASN A 92 6.526 -7.254 -5.029 1.00 3.04 N ATOM 0 H ASN A 92 5.636 -2.656 -4.719 1.00 65.44 H new ATOM 0 HA ASN A 92 5.787 -4.554 -6.992 1.00 13.32 H new ATOM 0 HB2 ASN A 92 7.900 -4.309 -5.643 1.00 11.54 H new ATOM 0 HB3 ASN A 92 7.011 -4.794 -4.212 1.00 11.54 H new ATOM 0 HD21 ASN A 92 6.643 -8.249 -5.220 1.00 3.04 H new ATOM 0 HD22 ASN A 92 5.810 -6.942 -4.373 1.00 3.04 H new ATOM 1416 N TYR A 93 3.882 -5.881 -6.162 1.00 13.14 N ATOM 1417 CA TYR A 93 2.711 -6.633 -5.723 1.00 44.01 C ATOM 1418 C TYR A 93 2.818 -8.096 -6.141 1.00 40.22 C ATOM 1419 O TYR A 93 2.868 -8.412 -7.330 1.00 40.32 O ATOM 1420 CB TYR A 93 1.437 -6.016 -6.303 1.00 31.52 C ATOM 1421 CG TYR A 93 1.055 -4.702 -5.661 1.00 51.34 C ATOM 1422 CD1 TYR A 93 1.885 -3.591 -5.759 1.00 73.42 C ATOM 1423 CD2 TYR A 93 -0.136 -4.570 -4.959 1.00 54.00 C ATOM 1424 CE1 TYR A 93 1.540 -2.389 -5.174 1.00 53.40 C ATOM 1425 CE2 TYR A 93 -0.491 -3.370 -4.371 1.00 43.44 C ATOM 1426 CZ TYR A 93 0.351 -2.282 -4.481 1.00 65.32 C ATOM 1427 OH TYR A 93 0.002 -1.085 -3.899 1.00 25.43 O ATOM 0 H TYR A 93 4.119 -6.006 -7.146 1.00 13.14 H new ATOM 0 HA TYR A 93 2.666 -6.587 -4.635 1.00 44.01 H new ATOM 0 HB2 TYR A 93 1.573 -5.862 -7.374 1.00 31.52 H new ATOM 0 HB3 TYR A 93 0.615 -6.722 -6.184 1.00 31.52 H new ATOM 0 HD1 TYR A 93 2.815 -3.670 -6.302 1.00 73.42 H new ATOM 0 HD2 TYR A 93 -0.797 -5.420 -4.871 1.00 54.00 H new ATOM 0 HE1 TYR A 93 2.197 -1.536 -5.258 1.00 53.40 H new ATOM 0 HE2 TYR A 93 -1.421 -3.285 -3.829 1.00 43.44 H new ATOM 0 HH TYR A 93 -0.865 -1.179 -3.451 1.00 25.43 H new ATOM 1437 N ARG A 94 2.849 -8.985 -5.154 1.00 23.12 N ATOM 1438 CA ARG A 94 2.949 -10.416 -5.417 1.00 4.45 C ATOM 1439 C ARG A 94 1.574 -11.015 -5.694 1.00 61.24 C ATOM 1440 O ARG A 94 0.625 -10.793 -4.942 1.00 62.52 O ATOM 1441 CB ARG A 94 3.598 -11.131 -4.230 1.00 1.34 C ATOM 1442 CG ARG A 94 2.938 -10.820 -2.897 1.00 73.12 C ATOM 1443 CD ARG A 94 3.948 -10.320 -1.877 1.00 4.04 C ATOM 1444 NE ARG A 94 5.007 -11.295 -1.630 1.00 71.23 N ATOM 1445 CZ ARG A 94 5.812 -11.255 -0.576 1.00 1.43 C ATOM 1446 NH1 ARG A 94 5.682 -10.291 0.326 1.00 24.23 N ATOM 1447 NH2 ARG A 94 6.752 -12.180 -0.421 1.00 11.44 N ATOM 0 H ARG A 94 2.806 -8.740 -4.165 1.00 23.12 H new ATOM 0 HA ARG A 94 3.572 -10.554 -6.301 1.00 4.45 H new ATOM 0 HB2 ARG A 94 3.562 -12.207 -4.401 1.00 1.34 H new ATOM 0 HB3 ARG A 94 4.650 -10.851 -4.179 1.00 1.34 H new ATOM 0 HG2 ARG A 94 2.162 -10.068 -3.041 1.00 73.12 H new ATOM 0 HG3 ARG A 94 2.447 -11.715 -2.515 1.00 73.12 H new ATOM 0 HD2 ARG A 94 4.389 -9.388 -2.231 1.00 4.04 H new ATOM 0 HD3 ARG A 94 3.437 -10.096 -0.941 1.00 4.04 H new ATOM 0 HE ARG A 94 5.135 -12.049 -2.305 1.00 71.23 H new ATOM 0 HH11 ARG A 94 4.962 -9.578 0.210 1.00 24.23 H new ATOM 0 HH12 ARG A 94 6.302 -10.263 1.135 1.00 24.23 H new ATOM 0 HH21 ARG A 94 6.856 -12.922 -1.113 1.00 11.44 H new ATOM 0 HH22 ARG A 94 7.370 -12.148 0.390 1.00 11.44 H new ATOM 1461 N VAL A 95 1.474 -11.775 -6.781 1.00 34.53 N ATOM 1462 CA VAL A 95 0.215 -12.407 -7.158 1.00 34.05 C ATOM 1463 C VAL A 95 0.348 -13.926 -7.181 1.00 73.20 C ATOM 1464 O VAL A 95 1.364 -14.463 -7.620 1.00 44.05 O ATOM 1465 CB VAL A 95 -0.264 -11.923 -8.540 1.00 23.12 C ATOM 1466 CG1 VAL A 95 -1.489 -12.708 -8.985 1.00 4.12 C ATOM 1467 CG2 VAL A 95 -0.559 -10.431 -8.508 1.00 20.30 C ATOM 0 H VAL A 95 2.249 -11.968 -7.415 1.00 34.53 H new ATOM 0 HA VAL A 95 -0.521 -12.121 -6.406 1.00 34.05 H new ATOM 0 HB VAL A 95 0.532 -12.097 -9.264 1.00 23.12 H new ATOM 0 HG11 VAL A 95 -1.813 -12.353 -9.963 1.00 4.12 H new ATOM 0 HG12 VAL A 95 -1.239 -13.767 -9.048 1.00 4.12 H new ATOM 0 HG13 VAL A 95 -2.293 -12.567 -8.263 1.00 4.12 H new ATOM 0 HG21 VAL A 95 -0.896 -10.106 -9.492 1.00 20.30 H new ATOM 0 HG22 VAL A 95 -1.338 -10.230 -7.773 1.00 20.30 H new ATOM 0 HG23 VAL A 95 0.346 -9.887 -8.236 1.00 20.30 H new ATOM 1477 N ARG A 96 -0.686 -14.612 -6.706 1.00 13.34 N ATOM 1478 CA ARG A 96 -0.685 -16.069 -6.670 1.00 52.14 C ATOM 1479 C ARG A 96 -1.946 -16.630 -7.324 1.00 62.00 C ATOM 1480 O ARG A 96 -3.062 -16.242 -6.978 1.00 42.30 O ATOM 1481 CB ARG A 96 -0.581 -16.567 -5.227 1.00 50.52 C ATOM 1482 CG ARG A 96 0.731 -17.269 -4.918 1.00 52.01 C ATOM 1483 CD ARG A 96 1.858 -16.272 -4.701 1.00 32.25 C ATOM 1484 NE ARG A 96 2.978 -16.863 -3.973 1.00 3.21 N ATOM 1485 CZ ARG A 96 2.996 -17.025 -2.655 1.00 2.42 C ATOM 1486 NH1 ARG A 96 1.960 -16.641 -1.923 1.00 74.42 N ATOM 1487 NH2 ARG A 96 4.053 -17.571 -2.067 1.00 52.13 N ATOM 0 H ARG A 96 -1.536 -14.182 -6.341 1.00 13.34 H new ATOM 0 HA ARG A 96 0.182 -16.420 -7.230 1.00 52.14 H new ATOM 0 HB2 ARG A 96 -0.699 -15.721 -4.550 1.00 50.52 H new ATOM 0 HB3 ARG A 96 -1.405 -17.252 -5.028 1.00 50.52 H new ATOM 0 HG2 ARG A 96 0.614 -17.887 -4.028 1.00 52.01 H new ATOM 0 HG3 ARG A 96 0.989 -17.938 -5.739 1.00 52.01 H new ATOM 0 HD2 ARG A 96 2.207 -15.903 -5.666 1.00 32.25 H new ATOM 0 HD3 ARG A 96 1.480 -15.412 -4.149 1.00 32.25 H new ATOM 0 HE ARG A 96 3.792 -17.168 -4.507 1.00 3.21 H new ATOM 0 HH11 ARG A 96 1.147 -16.220 -2.372 1.00 74.42 H new ATOM 0 HH12 ARG A 96 1.976 -16.766 -0.911 1.00 74.42 H new ATOM 0 HH21 ARG A 96 4.852 -17.867 -2.627 1.00 52.13 H new ATOM 0 HH22 ARG A 96 4.066 -17.695 -1.055 1.00 52.13 H new ATOM 1501 N VAL A 97 -1.759 -17.544 -8.270 1.00 25.31 N ATOM 1502 CA VAL A 97 -2.880 -18.159 -8.972 1.00 15.03 C ATOM 1503 C VAL A 97 -3.374 -19.399 -8.237 1.00 11.13 C ATOM 1504 O VAL A 97 -2.878 -19.736 -7.161 1.00 44.13 O ATOM 1505 CB VAL A 97 -2.496 -18.547 -10.412 1.00 14.22 C ATOM 1506 CG1 VAL A 97 -2.036 -17.324 -11.190 1.00 62.04 C ATOM 1507 CG2 VAL A 97 -1.419 -19.621 -10.404 1.00 5.12 C ATOM 0 H VAL A 97 -0.842 -17.875 -8.568 1.00 25.31 H new ATOM 0 HA VAL A 97 -3.678 -17.418 -9.005 1.00 15.03 H new ATOM 0 HB VAL A 97 -3.378 -18.952 -10.909 1.00 14.22 H new ATOM 0 HG11 VAL A 97 -1.769 -17.618 -12.205 1.00 62.04 H new ATOM 0 HG12 VAL A 97 -2.842 -16.591 -11.225 1.00 62.04 H new ATOM 0 HG13 VAL A 97 -1.167 -16.886 -10.699 1.00 62.04 H new ATOM 0 HG21 VAL A 97 -1.159 -19.884 -11.430 1.00 5.12 H new ATOM 0 HG22 VAL A 97 -0.534 -19.245 -9.891 1.00 5.12 H new ATOM 0 HG23 VAL A 97 -1.791 -20.505 -9.886 1.00 5.12 H new ATOM 1517 N TYR A 98 -4.354 -20.076 -8.823 1.00 74.14 N ATOM 1518 CA TYR A 98 -4.918 -21.279 -8.224 1.00 72.22 C ATOM 1519 C TYR A 98 -3.892 -22.406 -8.196 1.00 23.44 C ATOM 1520 O TYR A 98 -3.252 -22.652 -7.172 1.00 44.55 O ATOM 1521 CB TYR A 98 -6.161 -21.726 -8.997 1.00 4.53 C ATOM 1522 CG TYR A 98 -6.729 -23.044 -8.521 1.00 22.23 C ATOM 1523 CD1 TYR A 98 -7.054 -23.241 -7.184 1.00 43.02 C ATOM 1524 CD2 TYR A 98 -6.942 -24.092 -9.409 1.00 5.12 C ATOM 1525 CE1 TYR A 98 -7.572 -24.444 -6.746 1.00 31.55 C ATOM 1526 CE2 TYR A 98 -7.461 -25.298 -8.979 1.00 14.25 C ATOM 1527 CZ TYR A 98 -7.774 -25.469 -7.647 1.00 21.52 C ATOM 1528 OH TYR A 98 -8.291 -26.668 -7.214 1.00 33.42 O ATOM 0 H TYR A 98 -4.775 -19.812 -9.714 1.00 74.14 H new ATOM 0 HA TYR A 98 -5.201 -21.044 -7.198 1.00 72.22 H new ATOM 0 HB2 TYR A 98 -6.928 -20.957 -8.910 1.00 4.53 H new ATOM 0 HB3 TYR A 98 -5.911 -21.809 -10.055 1.00 4.53 H new ATOM 0 HD1 TYR A 98 -6.899 -22.440 -6.476 1.00 43.02 H new ATOM 0 HD2 TYR A 98 -6.698 -23.961 -10.453 1.00 5.12 H new ATOM 0 HE1 TYR A 98 -7.818 -24.582 -5.703 1.00 31.55 H new ATOM 0 HE2 TYR A 98 -7.621 -26.102 -9.682 1.00 14.25 H new ATOM 0 HH TYR A 98 -8.372 -27.282 -7.973 1.00 33.42 H new ATOM 1538 N GLN A 99 -3.739 -23.088 -9.327 1.00 3.14 N ATOM 1539 CA GLN A 99 -2.789 -24.190 -9.432 1.00 2.23 C ATOM 1540 C GLN A 99 -1.372 -23.718 -9.121 1.00 41.43 C ATOM 1541 O GLN A 99 -0.972 -22.621 -9.515 1.00 30.42 O ATOM 1542 CB GLN A 99 -2.840 -24.802 -10.833 1.00 21.34 C ATOM 1543 CG GLN A 99 -3.052 -26.308 -10.831 1.00 11.41 C ATOM 1544 CD GLN A 99 -1.894 -27.060 -10.205 1.00 40.42 C ATOM 1545 OE1 GLN A 99 -1.924 -27.202 -8.885 1.00 52.51 O flip ATOM 1546 NE2 GLN A 99 -0.982 -27.508 -10.900 1.00 5.32 N flip ATOM 0 H GLN A 99 -4.260 -22.897 -10.183 1.00 3.14 H new ATOM 0 HA GLN A 99 -3.068 -24.949 -8.701 1.00 2.23 H new ATOM 0 HB2 GLN A 99 -3.645 -24.331 -11.397 1.00 21.34 H new ATOM 0 HB3 GLN A 99 -1.910 -24.575 -11.354 1.00 21.34 H new ATOM 0 HG2 GLN A 99 -3.968 -26.541 -10.288 1.00 11.41 H new ATOM 0 HG3 GLN A 99 -3.193 -26.653 -11.856 1.00 11.41 H new ATOM 0 HE21 GLN A 99 -0.999 -27.376 -11.911 1.00 5.32 H new ATOM 0 HE22 GLN A 99 -0.209 -28.011 -10.465 1.00 5.32 H new ATOM 1555 N ILE A 100 -0.617 -24.553 -8.415 1.00 55.22 N ATOM 1556 CA ILE A 100 0.755 -24.221 -8.052 1.00 40.34 C ATOM 1557 C ILE A 100 1.731 -25.262 -8.588 1.00 64.14 C ATOM 1558 O ILE A 100 1.361 -26.395 -8.900 1.00 43.30 O ATOM 1559 CB ILE A 100 0.924 -24.112 -6.526 1.00 74.44 C ATOM 1560 CG1 ILE A 100 -0.157 -24.927 -5.812 1.00 54.35 C ATOM 1561 CG2 ILE A 100 0.874 -22.656 -6.090 1.00 35.21 C ATOM 1562 CD1 ILE A 100 0.002 -24.956 -4.308 1.00 22.20 C ATOM 0 H ILE A 100 -0.932 -25.464 -8.083 1.00 55.22 H new ATOM 0 HA ILE A 100 0.975 -23.253 -8.502 1.00 40.34 H new ATOM 0 HB ILE A 100 1.898 -24.518 -6.253 1.00 74.44 H new ATOM 0 HG12 ILE A 100 -1.135 -24.513 -6.058 1.00 54.35 H new ATOM 0 HG13 ILE A 100 -0.140 -25.949 -6.191 1.00 54.35 H new ATOM 0 HG21 ILE A 100 0.995 -22.596 -5.008 1.00 35.21 H new ATOM 0 HG22 ILE A 100 1.677 -22.103 -6.576 1.00 35.21 H new ATOM 0 HG23 ILE A 100 -0.086 -22.224 -6.372 1.00 35.21 H new ATOM 0 HD11 ILE A 100 -0.799 -25.551 -3.869 1.00 22.20 H new ATOM 0 HD12 ILE A 100 0.965 -25.398 -4.052 1.00 22.20 H new ATOM 0 HD13 ILE A 100 -0.046 -23.939 -3.917 1.00 22.20 H new ATOM 1574 N PRO A 101 3.010 -24.873 -8.696 1.00 45.22 N ATOM 1575 CA PRO A 101 4.068 -25.759 -9.193 1.00 31.40 C ATOM 1576 C PRO A 101 4.390 -26.882 -8.212 1.00 1.21 C ATOM 1577 O PRO A 101 5.113 -26.681 -7.238 1.00 1.41 O ATOM 1578 CB PRO A 101 5.270 -24.824 -9.349 1.00 34.53 C ATOM 1579 CG PRO A 101 5.016 -23.717 -8.385 1.00 14.02 C ATOM 1580 CD PRO A 101 3.523 -23.539 -8.343 1.00 74.04 C ATOM 0 HA PRO A 101 3.779 -26.261 -10.116 1.00 31.40 H new ATOM 0 HB2 PRO A 101 6.204 -25.339 -9.124 1.00 34.53 H new ATOM 0 HB3 PRO A 101 5.351 -24.450 -10.370 1.00 34.53 H new ATOM 0 HG2 PRO A 101 5.408 -23.962 -7.398 1.00 14.02 H new ATOM 0 HG3 PRO A 101 5.510 -22.799 -8.705 1.00 14.02 H new ATOM 0 HD2 PRO A 101 3.183 -23.226 -7.356 1.00 74.04 H new ATOM 0 HD3 PRO A 101 3.189 -22.780 -9.050 1.00 74.04 H new