USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 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: A1014 ASN : amide:sc= 0.657 K(o=1.4,f=-1.4) USER MOD Set 1.2: A1018 LYS NZ :NH3+ -149:sc= 0.731 (180deg=-0.0907) USER MOD Set 2.1: A 18 SER OG : rot -79:sc= 0.444 USER MOD Set 2.2: A 40 TYR OH : rot 173:sc= 0.18 USER MOD Set 2.3: A 71 THR OG1 : rot 54:sc= -1.15! USER MOD Set 2.4: A 74 ASN : amide:sc= -0.346 X(o=-0.87,f=-1.2) USER MOD Single : A 2 THR OG1 : rot 35:sc= 0.129 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.568 K(o=0.57,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 19 GLN : amide:sc= -0.702 K(o=-0.7,f=0) USER MOD Single : A 20 SER OG : rot 75:sc= 1.06 USER MOD Single : A 26 GLN : amide:sc=-0.000585 K(o=-0.00058,f=-1.9!) USER MOD Single : A 35 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.056) USER MOD Single : A 36 GLN : amide:sc= -1.03 K(o=-1,f=-0.01) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 79:sc= 1.06 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.312 USER MOD Single : A 48 MET CE :methyl -117:sc= -1.27 (180deg=-1.45) USER MOD Single : A 57 THR OG1 : rot 180:sc=0.000634 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -178:sc= -0.302 (180deg=-0.325) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.006) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= 0.584 (180deg=-0.0117) USER MOD Single : A 83 GLN : amide:sc=-0.000283 X(o=-0.00028,f=-0.001) USER MOD Single : A 84 GLN : amide:sc= -0.592 K(o=-0.59,f=0) USER MOD Single : A 90 SER OG : rot 82:sc= 0.885 USER MOD Single : A1001 MET CE :methyl -174:sc= 0 (180deg=-0.0264) USER MOD Single : A1002 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -77:sc= 0.564 USER MOD Single : A1010 THR OG1 : rot 180:sc= 0 USER MOD Single : A1019 MET CE :methyl -163:sc= -5.05! (180deg=-5.81!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 2.667 -4.691 23.174 1.00 62.02 N ATOM 21 CA THR A 2 1.971 -3.665 22.359 1.00 73.43 C ATOM 22 C THR A 2 2.768 -3.259 21.100 1.00 64.32 C ATOM 23 O THR A 2 2.208 -3.237 20.002 1.00 14.51 O ATOM 24 CB THR A 2 1.639 -2.397 23.227 1.00 20.52 C ATOM 25 OG1 THR A 2 0.934 -2.797 24.415 1.00 4.51 O ATOM 26 CG2 THR A 2 0.786 -1.358 22.463 1.00 13.01 C ATOM 0 HA THR A 2 1.042 -4.119 22.015 1.00 73.43 H new ATOM 0 HB THR A 2 2.589 -1.925 23.479 1.00 20.52 H new ATOM 0 HG1 THR A 2 1.272 -3.665 24.719 1.00 4.51 H new ATOM 0 HG21 THR A 2 0.587 -0.504 23.110 1.00 13.01 H new ATOM 0 HG22 THR A 2 1.327 -1.024 21.577 1.00 13.01 H new ATOM 0 HG23 THR A 2 -0.158 -1.813 22.162 1.00 13.01 H new ATOM 34 N SER A 3 4.080 -2.993 21.269 1.00 21.42 N ATOM 35 CA SER A 3 4.967 -2.602 20.154 1.00 12.02 C ATOM 36 C SER A 3 4.995 -3.700 19.069 1.00 10.31 C ATOM 37 O SER A 3 4.836 -3.414 17.886 1.00 33.32 O ATOM 38 CB SER A 3 6.394 -2.349 20.682 1.00 44.10 C ATOM 39 OG SER A 3 6.396 -1.397 21.736 1.00 55.20 O ATOM 0 H SER A 3 4.550 -3.042 22.173 1.00 21.42 H new ATOM 0 HA SER A 3 4.580 -1.685 19.709 1.00 12.02 H new ATOM 0 HB2 SER A 3 6.824 -3.286 21.035 1.00 44.10 H new ATOM 0 HB3 SER A 3 7.027 -1.995 19.868 1.00 44.10 H new ATOM 0 HG SER A 3 7.314 -1.259 22.051 1.00 55.20 H new ATOM 45 N THR A 4 5.153 -4.953 19.526 1.00 64.23 N ATOM 46 CA THR A 4 5.239 -6.148 18.667 1.00 62.12 C ATOM 47 C THR A 4 3.944 -6.387 17.864 1.00 30.34 C ATOM 48 O THR A 4 3.978 -6.518 16.635 1.00 74.00 O ATOM 49 CB THR A 4 5.563 -7.398 19.547 1.00 71.50 C ATOM 50 OG1 THR A 4 6.817 -7.198 20.207 1.00 54.34 O ATOM 51 CG2 THR A 4 5.625 -8.698 18.737 1.00 45.23 C ATOM 0 H THR A 4 5.226 -5.169 20.520 1.00 64.23 H new ATOM 0 HA THR A 4 6.038 -5.981 17.944 1.00 62.12 H new ATOM 0 HB THR A 4 4.752 -7.503 20.268 1.00 71.50 H new ATOM 0 HG1 THR A 4 7.023 -7.979 20.762 1.00 54.34 H new ATOM 0 HG21 THR A 4 5.853 -9.531 19.402 1.00 45.23 H new ATOM 0 HG22 THR A 4 4.663 -8.872 18.255 1.00 45.23 H new ATOM 0 HG23 THR A 4 6.402 -8.617 17.977 1.00 45.23 H new ATOM 59 N VAL A 5 2.817 -6.414 18.582 1.00 40.34 N ATOM 60 CA VAL A 5 1.497 -6.743 18.016 1.00 62.24 C ATOM 61 C VAL A 5 1.085 -5.681 16.987 1.00 43.54 C ATOM 62 O VAL A 5 0.684 -6.022 15.868 1.00 20.44 O ATOM 63 CB VAL A 5 0.407 -6.896 19.147 1.00 22.22 C ATOM 64 CG1 VAL A 5 -0.999 -7.217 18.571 1.00 2.40 C ATOM 65 CG2 VAL A 5 0.832 -7.975 20.168 1.00 22.34 C ATOM 0 H VAL A 5 2.791 -6.207 19.580 1.00 40.34 H new ATOM 0 HA VAL A 5 1.571 -7.705 17.510 1.00 62.24 H new ATOM 0 HB VAL A 5 0.335 -5.934 19.655 1.00 22.22 H new ATOM 0 HG11 VAL A 5 -1.714 -7.313 19.388 1.00 2.40 H new ATOM 0 HG12 VAL A 5 -1.313 -6.412 17.907 1.00 2.40 H new ATOM 0 HG13 VAL A 5 -0.959 -8.152 18.013 1.00 2.40 H new ATOM 0 HG21 VAL A 5 0.068 -8.066 20.940 1.00 22.34 H new ATOM 0 HG22 VAL A 5 0.949 -8.932 19.659 1.00 22.34 H new ATOM 0 HG23 VAL A 5 1.779 -7.689 20.626 1.00 22.34 H new ATOM 75 N GLU A 6 1.245 -4.394 17.359 1.00 52.43 N ATOM 76 CA GLU A 6 1.011 -3.271 16.432 1.00 61.10 C ATOM 77 C GLU A 6 1.867 -3.413 15.166 1.00 74.15 C ATOM 78 O GLU A 6 1.343 -3.491 14.060 1.00 71.31 O ATOM 79 CB GLU A 6 1.288 -1.904 17.121 1.00 71.10 C ATOM 80 CG GLU A 6 0.204 -1.477 18.125 1.00 22.53 C ATOM 81 CD GLU A 6 -1.185 -1.310 17.477 1.00 13.34 C ATOM 82 OE1 GLU A 6 -2.102 -2.111 17.768 1.00 34.22 O ATOM 83 OE2 GLU A 6 -1.359 -0.382 16.657 1.00 62.44 O ATOM 0 H GLU A 6 1.535 -4.108 18.294 1.00 52.43 H new ATOM 0 HA GLU A 6 -0.039 -3.300 16.142 1.00 61.10 H new ATOM 0 HB2 GLU A 6 2.246 -1.957 17.638 1.00 71.10 H new ATOM 0 HB3 GLU A 6 1.381 -1.135 16.354 1.00 71.10 H new ATOM 0 HG2 GLU A 6 0.141 -2.219 18.921 1.00 22.53 H new ATOM 0 HG3 GLU A 6 0.498 -0.536 18.590 1.00 22.53 H new ATOM 90 N PHE A 7 3.175 -3.524 15.373 1.00 62.32 N ATOM 91 CA PHE A 7 4.178 -3.505 14.301 1.00 0.44 C ATOM 92 C PHE A 7 3.932 -4.634 13.261 1.00 61.13 C ATOM 93 O PHE A 7 3.656 -4.352 12.080 1.00 70.21 O ATOM 94 CB PHE A 7 5.575 -3.622 14.955 1.00 33.24 C ATOM 95 CG PHE A 7 6.742 -3.176 14.098 1.00 52.12 C ATOM 96 CD1 PHE A 7 7.832 -4.007 13.887 1.00 54.32 C ATOM 97 CD2 PHE A 7 6.755 -1.903 13.528 1.00 54.41 C ATOM 98 CE1 PHE A 7 8.902 -3.596 13.134 1.00 74.50 C ATOM 99 CE2 PHE A 7 7.823 -1.493 12.772 1.00 54.23 C ATOM 100 CZ PHE A 7 8.895 -2.345 12.576 1.00 20.34 C ATOM 0 H PHE A 7 3.580 -3.632 16.303 1.00 62.32 H new ATOM 0 HA PHE A 7 4.107 -2.570 13.746 1.00 0.44 H new ATOM 0 HB2 PHE A 7 5.576 -3.034 15.873 1.00 33.24 H new ATOM 0 HB3 PHE A 7 5.735 -4.661 15.242 1.00 33.24 H new ATOM 0 HD1 PHE A 7 7.838 -4.995 14.323 1.00 54.32 H new ATOM 0 HD2 PHE A 7 5.919 -1.237 13.683 1.00 54.41 H new ATOM 0 HE1 PHE A 7 9.745 -4.254 12.982 1.00 74.50 H new ATOM 0 HE2 PHE A 7 7.827 -0.507 12.331 1.00 54.23 H new ATOM 0 HZ PHE A 7 9.734 -2.021 11.978 1.00 20.34 H new ATOM 110 N ILE A 8 3.940 -5.892 13.746 1.00 14.33 N ATOM 111 CA ILE A 8 3.772 -7.099 12.910 1.00 34.04 C ATOM 112 C ILE A 8 2.397 -7.116 12.228 1.00 73.10 C ATOM 113 O ILE A 8 2.333 -7.243 11.014 1.00 43.34 O ATOM 114 CB ILE A 8 3.953 -8.433 13.738 1.00 50.01 C ATOM 115 CG1 ILE A 8 5.360 -8.491 14.413 1.00 14.43 C ATOM 116 CG2 ILE A 8 3.720 -9.691 12.850 1.00 45.25 C ATOM 117 CD1 ILE A 8 5.594 -9.710 15.291 1.00 14.05 C ATOM 0 H ILE A 8 4.064 -6.101 14.737 1.00 14.33 H new ATOM 0 HA ILE A 8 4.555 -7.054 12.153 1.00 34.04 H new ATOM 0 HB ILE A 8 3.197 -8.432 14.523 1.00 50.01 H new ATOM 0 HG12 ILE A 8 6.123 -8.469 13.634 1.00 14.43 H new ATOM 0 HG13 ILE A 8 5.495 -7.594 15.017 1.00 14.43 H new ATOM 0 HG21 ILE A 8 3.852 -10.590 13.451 1.00 45.25 H new ATOM 0 HG22 ILE A 8 2.707 -9.670 12.447 1.00 45.25 H new ATOM 0 HG23 ILE A 8 4.437 -9.695 12.029 1.00 45.25 H new ATOM 0 HD11 ILE A 8 6.596 -9.665 15.717 1.00 14.05 H new ATOM 0 HD12 ILE A 8 4.858 -9.726 16.095 1.00 14.05 H new ATOM 0 HD13 ILE A 8 5.495 -10.615 14.691 1.00 14.05 H new ATOM 129 N ASN A 9 1.308 -6.958 13.015 1.00 42.33 N ATOM 130 CA ASN A 9 -0.074 -7.137 12.490 1.00 32.22 C ATOM 131 C ASN A 9 -0.469 -6.037 11.492 1.00 63.24 C ATOM 132 O ASN A 9 -1.262 -6.296 10.579 1.00 14.41 O ATOM 133 CB ASN A 9 -1.111 -7.227 13.638 1.00 24.32 C ATOM 134 CG ASN A 9 -1.088 -8.580 14.356 1.00 0.13 C ATOM 135 OD1 ASN A 9 -1.847 -9.487 14.011 1.00 51.23 O ATOM 136 ND2 ASN A 9 -0.214 -8.740 15.341 1.00 61.33 N ATOM 0 H ASN A 9 1.353 -6.710 14.003 1.00 42.33 H new ATOM 0 HA ASN A 9 -0.076 -8.084 11.950 1.00 32.22 H new ATOM 0 HB2 ASN A 9 -0.916 -6.434 14.360 1.00 24.32 H new ATOM 0 HB3 ASN A 9 -2.108 -7.052 13.235 1.00 24.32 H new ATOM 0 HD21 ASN A 9 -0.158 -9.631 15.834 1.00 61.33 H new ATOM 0 HD22 ASN A 9 0.402 -7.972 15.606 1.00 61.33 H new ATOM 143 N ARG A 10 0.086 -4.821 11.655 1.00 51.31 N ATOM 144 CA ARG A 10 -0.168 -3.713 10.708 1.00 64.24 C ATOM 145 C ARG A 10 0.639 -3.916 9.419 1.00 54.12 C ATOM 146 O ARG A 10 0.073 -3.817 8.345 1.00 63.33 O ATOM 147 CB ARG A 10 0.127 -2.334 11.339 1.00 33.01 C ATOM 148 CG ARG A 10 -0.821 -1.948 12.499 1.00 65.55 C ATOM 149 CD ARG A 10 -0.408 -0.624 13.164 1.00 11.14 C ATOM 150 NE ARG A 10 1.002 -0.632 13.602 1.00 60.32 N ATOM 151 CZ ARG A 10 1.639 0.397 14.170 1.00 63.45 C ATOM 152 NH1 ARG A 10 1.008 1.550 14.404 1.00 13.12 N ATOM 153 NH2 ARG A 10 2.923 0.264 14.479 1.00 4.42 N ATOM 0 H ARG A 10 0.708 -4.580 12.426 1.00 51.31 H new ATOM 0 HA ARG A 10 -1.229 -3.727 10.459 1.00 64.24 H new ATOM 0 HB2 ARG A 10 1.153 -2.328 11.707 1.00 33.01 H new ATOM 0 HB3 ARG A 10 0.062 -1.571 10.563 1.00 33.01 H new ATOM 0 HG2 ARG A 10 -1.840 -1.862 12.121 1.00 65.55 H new ATOM 0 HG3 ARG A 10 -0.824 -2.743 13.245 1.00 65.55 H new ATOM 0 HD2 ARG A 10 -0.564 0.196 12.463 1.00 11.14 H new ATOM 0 HD3 ARG A 10 -1.052 -0.435 14.023 1.00 11.14 H new ATOM 0 HE ARG A 10 1.533 -1.491 13.460 1.00 60.32 H new ATOM 0 HH11 ARG A 10 0.026 1.655 14.149 1.00 13.12 H new ATOM 0 HH12 ARG A 10 1.508 2.326 14.838 1.00 13.12 H new ATOM 0 HH21 ARG A 10 3.407 -0.612 14.283 1.00 4.42 H new ATOM 0 HH22 ARG A 10 3.426 1.038 14.913 1.00 4.42 H new ATOM 167 N TRP A 11 1.951 -4.243 9.530 1.00 15.11 N ATOM 168 CA TRP A 11 2.790 -4.532 8.332 1.00 42.43 C ATOM 169 C TRP A 11 2.243 -5.735 7.542 1.00 75.45 C ATOM 170 O TRP A 11 2.253 -5.737 6.306 1.00 13.40 O ATOM 171 CB TRP A 11 4.280 -4.772 8.706 1.00 64.35 C ATOM 172 CG TRP A 11 5.069 -3.505 8.924 1.00 11.13 C ATOM 173 CD1 TRP A 11 5.657 -3.082 10.078 1.00 3.04 C ATOM 174 CD2 TRP A 11 5.340 -2.491 7.944 1.00 43.33 C ATOM 175 NE1 TRP A 11 6.282 -1.879 9.876 1.00 20.32 N ATOM 176 CE2 TRP A 11 6.099 -1.491 8.577 1.00 4.33 C ATOM 177 CE3 TRP A 11 5.011 -2.333 6.594 1.00 52.11 C ATOM 178 CZ2 TRP A 11 6.533 -0.348 7.912 1.00 74.32 C ATOM 179 CZ3 TRP A 11 5.445 -1.204 5.935 1.00 3.35 C ATOM 180 CH2 TRP A 11 6.198 -0.223 6.594 1.00 54.14 C ATOM 0 H TRP A 11 2.447 -4.313 10.419 1.00 15.11 H new ATOM 0 HA TRP A 11 2.742 -3.647 7.698 1.00 42.43 H new ATOM 0 HB2 TRP A 11 4.324 -5.376 9.612 1.00 64.35 H new ATOM 0 HB3 TRP A 11 4.754 -5.351 7.914 1.00 64.35 H new ATOM 0 HD1 TRP A 11 5.634 -3.617 11.016 1.00 3.04 H new ATOM 0 HE1 TRP A 11 6.801 -1.356 10.582 1.00 20.32 H new ATOM 0 HE3 TRP A 11 4.428 -3.082 6.078 1.00 52.11 H new ATOM 0 HZ2 TRP A 11 7.112 0.410 8.418 1.00 74.32 H new ATOM 0 HZ3 TRP A 11 5.200 -1.072 4.891 1.00 3.35 H new ATOM 0 HH2 TRP A 11 6.520 0.651 6.048 1.00 54.14 H new ATOM 191 N GLN A 12 1.750 -6.732 8.289 1.00 61.23 N ATOM 192 CA GLN A 12 1.082 -7.928 7.747 1.00 50.25 C ATOM 193 C GLN A 12 -0.182 -7.519 6.994 1.00 31.31 C ATOM 194 O GLN A 12 -0.398 -7.943 5.862 1.00 4.34 O ATOM 195 CB GLN A 12 0.726 -8.902 8.901 1.00 63.01 C ATOM 196 CG GLN A 12 -0.004 -10.185 8.473 1.00 43.11 C ATOM 197 CD GLN A 12 -0.438 -11.053 9.655 1.00 53.22 C ATOM 198 OE1 GLN A 12 0.199 -11.060 10.709 1.00 50.21 O ATOM 199 NE2 GLN A 12 -1.516 -11.793 9.492 1.00 64.25 N ATOM 0 H GLN A 12 1.804 -6.732 9.308 1.00 61.23 H new ATOM 0 HA GLN A 12 1.757 -8.433 7.056 1.00 50.25 H new ATOM 0 HB2 GLN A 12 1.645 -9.181 9.416 1.00 63.01 H new ATOM 0 HB3 GLN A 12 0.104 -8.373 9.623 1.00 63.01 H new ATOM 0 HG2 GLN A 12 -0.882 -9.917 7.885 1.00 43.11 H new ATOM 0 HG3 GLN A 12 0.649 -10.767 7.823 1.00 43.11 H new ATOM 0 HE21 GLN A 12 -2.024 -11.767 8.608 1.00 64.25 H new ATOM 0 HE22 GLN A 12 -1.843 -12.392 10.250 1.00 64.25 H new ATOM 208 N ARG A 13 -0.984 -6.659 7.640 1.00 22.02 N ATOM 209 CA ARG A 13 -2.243 -6.149 7.077 1.00 23.51 C ATOM 210 C ARG A 13 -1.994 -5.387 5.758 1.00 55.01 C ATOM 211 O ARG A 13 -2.723 -5.575 4.797 1.00 75.11 O ATOM 212 CB ARG A 13 -2.961 -5.229 8.102 1.00 60.00 C ATOM 213 CG ARG A 13 -4.345 -4.714 7.645 1.00 40.55 C ATOM 214 CD ARG A 13 -5.364 -5.848 7.392 1.00 72.23 C ATOM 215 NE ARG A 13 -6.684 -5.336 6.964 1.00 64.11 N ATOM 216 CZ ARG A 13 -7.488 -5.909 6.051 1.00 0.54 C ATOM 217 NH1 ARG A 13 -7.121 -7.033 5.428 1.00 2.44 N ATOM 218 NH2 ARG A 13 -8.662 -5.345 5.783 1.00 63.31 N ATOM 0 H ARG A 13 -0.777 -6.297 8.571 1.00 22.02 H new ATOM 0 HA ARG A 13 -2.885 -7.003 6.860 1.00 23.51 H new ATOM 0 HB2 ARG A 13 -3.082 -5.775 9.038 1.00 60.00 H new ATOM 0 HB3 ARG A 13 -2.321 -4.373 8.313 1.00 60.00 H new ATOM 0 HG2 ARG A 13 -4.743 -4.039 8.403 1.00 40.55 H new ATOM 0 HG3 ARG A 13 -4.225 -4.132 6.731 1.00 40.55 H new ATOM 0 HD2 ARG A 13 -4.973 -6.520 6.628 1.00 72.23 H new ATOM 0 HD3 ARG A 13 -5.483 -6.435 8.302 1.00 72.23 H new ATOM 0 HE ARG A 13 -7.013 -4.474 7.399 1.00 64.11 H new ATOM 0 HH11 ARG A 13 -6.223 -7.465 5.643 1.00 2.44 H new ATOM 0 HH12 ARG A 13 -7.739 -7.458 4.737 1.00 2.44 H new ATOM 0 HH21 ARG A 13 -8.940 -4.491 6.267 1.00 63.31 H new ATOM 0 HH22 ARG A 13 -9.284 -5.766 5.093 1.00 63.31 H new ATOM 232 N ILE A 14 -0.925 -4.575 5.735 1.00 71.45 N ATOM 233 CA ILE A 14 -0.526 -3.750 4.573 1.00 4.51 C ATOM 234 C ILE A 14 -0.054 -4.648 3.416 1.00 34.24 C ATOM 235 O ILE A 14 -0.397 -4.407 2.263 1.00 30.14 O ATOM 236 CB ILE A 14 0.604 -2.731 5.004 1.00 32.43 C ATOM 237 CG1 ILE A 14 0.069 -1.746 6.079 1.00 43.54 C ATOM 238 CG2 ILE A 14 1.193 -1.937 3.817 1.00 34.04 C ATOM 239 CD1 ILE A 14 1.120 -0.838 6.670 1.00 50.14 C ATOM 0 H ILE A 14 -0.300 -4.468 6.534 1.00 71.45 H new ATOM 0 HA ILE A 14 -1.387 -3.181 4.223 1.00 4.51 H new ATOM 0 HB ILE A 14 1.412 -3.332 5.420 1.00 32.43 H new ATOM 0 HG12 ILE A 14 -0.715 -1.133 5.635 1.00 43.54 H new ATOM 0 HG13 ILE A 14 -0.392 -2.320 6.883 1.00 43.54 H new ATOM 0 HG21 ILE A 14 1.963 -1.256 4.181 1.00 34.04 H new ATOM 0 HG22 ILE A 14 1.631 -2.629 3.098 1.00 34.04 H new ATOM 0 HG23 ILE A 14 0.401 -1.365 3.333 1.00 34.04 H new ATOM 0 HD11 ILE A 14 0.661 -0.184 7.411 1.00 50.14 H new ATOM 0 HD12 ILE A 14 1.894 -1.439 7.147 1.00 50.14 H new ATOM 0 HD13 ILE A 14 1.566 -0.234 5.879 1.00 50.14 H new ATOM 251 N ALA A 15 0.696 -5.711 3.753 1.00 12.22 N ATOM 252 CA ALA A 15 1.188 -6.698 2.770 1.00 11.44 C ATOM 253 C ALA A 15 0.018 -7.456 2.107 1.00 71.22 C ATOM 254 O ALA A 15 -0.051 -7.576 0.873 1.00 70.42 O ATOM 255 CB ALA A 15 2.145 -7.672 3.464 1.00 14.32 C ATOM 0 H ALA A 15 0.979 -5.912 4.712 1.00 12.22 H new ATOM 0 HA ALA A 15 1.723 -6.172 1.979 1.00 11.44 H new ATOM 0 HB1 ALA A 15 2.509 -8.401 2.741 1.00 14.32 H new ATOM 0 HB2 ALA A 15 2.988 -7.120 3.879 1.00 14.32 H new ATOM 0 HB3 ALA A 15 1.619 -8.189 4.267 1.00 14.32 H new ATOM 261 N LEU A 16 -0.915 -7.916 2.958 1.00 44.52 N ATOM 262 CA LEU A 16 -2.103 -8.685 2.541 1.00 41.54 C ATOM 263 C LEU A 16 -3.087 -7.801 1.756 1.00 42.13 C ATOM 264 O LEU A 16 -3.706 -8.264 0.794 1.00 1.40 O ATOM 265 CB LEU A 16 -2.802 -9.309 3.782 1.00 12.22 C ATOM 266 CG LEU A 16 -1.972 -10.360 4.594 1.00 13.33 C ATOM 267 CD1 LEU A 16 -2.768 -10.888 5.816 1.00 52.02 C ATOM 268 CD2 LEU A 16 -1.499 -11.518 3.691 1.00 20.34 C ATOM 0 H LEU A 16 -0.866 -7.763 3.965 1.00 44.52 H new ATOM 0 HA LEU A 16 -1.775 -9.488 1.881 1.00 41.54 H new ATOM 0 HB2 LEU A 16 -3.084 -8.501 4.457 1.00 12.22 H new ATOM 0 HB3 LEU A 16 -3.725 -9.785 3.451 1.00 12.22 H new ATOM 0 HG LEU A 16 -1.085 -9.854 4.975 1.00 13.33 H new ATOM 0 HD11 LEU A 16 -2.163 -11.615 6.358 1.00 52.02 H new ATOM 0 HD12 LEU A 16 -3.014 -10.057 6.477 1.00 52.02 H new ATOM 0 HD13 LEU A 16 -3.687 -11.363 5.474 1.00 52.02 H new ATOM 0 HD21 LEU A 16 -0.926 -12.231 4.284 1.00 20.34 H new ATOM 0 HD22 LEU A 16 -2.365 -12.019 3.259 1.00 20.34 H new ATOM 0 HD23 LEU A 16 -0.872 -11.123 2.892 1.00 20.34 H new ATOM 280 N LEU A 17 -3.205 -6.525 2.175 1.00 62.30 N ATOM 281 CA LEU A 17 -4.064 -5.527 1.506 1.00 41.51 C ATOM 282 C LEU A 17 -3.533 -5.251 0.105 1.00 44.41 C ATOM 283 O LEU A 17 -4.231 -5.504 -0.858 1.00 51.02 O ATOM 284 CB LEU A 17 -4.176 -4.202 2.336 1.00 33.42 C ATOM 285 CG LEU A 17 -5.254 -4.189 3.468 1.00 51.43 C ATOM 286 CD1 LEU A 17 -5.106 -2.942 4.366 1.00 63.22 C ATOM 287 CD2 LEU A 17 -6.677 -4.276 2.865 1.00 23.15 C ATOM 0 H LEU A 17 -2.708 -6.157 2.986 1.00 62.30 H new ATOM 0 HA LEU A 17 -5.071 -5.938 1.432 1.00 41.51 H new ATOM 0 HB2 LEU A 17 -3.205 -3.995 2.785 1.00 33.42 H new ATOM 0 HB3 LEU A 17 -4.390 -3.384 1.649 1.00 33.42 H new ATOM 0 HG LEU A 17 -5.096 -5.066 4.096 1.00 51.43 H new ATOM 0 HD11 LEU A 17 -5.869 -2.961 5.144 1.00 63.22 H new ATOM 0 HD12 LEU A 17 -4.118 -2.941 4.827 1.00 63.22 H new ATOM 0 HD13 LEU A 17 -5.226 -2.042 3.762 1.00 63.22 H new ATOM 0 HD21 LEU A 17 -7.414 -4.266 3.668 1.00 23.15 H new ATOM 0 HD22 LEU A 17 -6.846 -3.424 2.207 1.00 23.15 H new ATOM 0 HD23 LEU A 17 -6.775 -5.200 2.295 1.00 23.15 H new ATOM 299 N SER A 18 -2.269 -4.799 0.012 1.00 41.23 N ATOM 300 CA SER A 18 -1.617 -4.455 -1.275 1.00 50.45 C ATOM 301 C SER A 18 -1.657 -5.635 -2.263 1.00 21.53 C ATOM 302 O SER A 18 -1.849 -5.438 -3.465 1.00 61.35 O ATOM 303 CB SER A 18 -0.161 -4.033 -1.032 1.00 31.22 C ATOM 304 OG SER A 18 0.567 -5.057 -0.376 1.00 63.42 O ATOM 0 H SER A 18 -1.667 -4.660 0.824 1.00 41.23 H new ATOM 0 HA SER A 18 -2.170 -3.626 -1.715 1.00 50.45 H new ATOM 0 HB2 SER A 18 0.316 -3.797 -1.983 1.00 31.22 H new ATOM 0 HB3 SER A 18 -0.139 -3.125 -0.430 1.00 31.22 H new ATOM 0 HG SER A 18 0.359 -5.044 0.582 1.00 63.42 H new ATOM 310 N GLN A 19 -1.483 -6.859 -1.717 1.00 53.22 N ATOM 311 CA GLN A 19 -1.593 -8.119 -2.475 1.00 13.33 C ATOM 312 C GLN A 19 -3.002 -8.280 -3.073 1.00 21.25 C ATOM 313 O GLN A 19 -3.148 -8.431 -4.293 1.00 12.04 O ATOM 314 CB GLN A 19 -1.254 -9.305 -1.546 1.00 10.44 C ATOM 315 CG GLN A 19 -1.257 -10.689 -2.220 1.00 52.11 C ATOM 316 CD GLN A 19 -1.003 -11.853 -1.253 1.00 71.54 C ATOM 317 OE1 GLN A 19 -0.404 -12.859 -1.628 1.00 54.11 O ATOM 318 NE2 GLN A 19 -1.483 -11.744 -0.012 1.00 23.45 N ATOM 0 H GLN A 19 -1.261 -6.998 -0.731 1.00 53.22 H new ATOM 0 HA GLN A 19 -0.885 -8.098 -3.304 1.00 13.33 H new ATOM 0 HB2 GLN A 19 -0.270 -9.134 -1.109 1.00 10.44 H new ATOM 0 HB3 GLN A 19 -1.970 -9.318 -0.724 1.00 10.44 H new ATOM 0 HG2 GLN A 19 -2.218 -10.841 -2.711 1.00 52.11 H new ATOM 0 HG3 GLN A 19 -0.495 -10.704 -2.999 1.00 52.11 H new ATOM 0 HE21 GLN A 19 -1.976 -10.897 0.272 1.00 23.45 H new ATOM 0 HE22 GLN A 19 -1.357 -12.507 0.653 1.00 23.45 H new ATOM 327 N SER A 20 -4.030 -8.191 -2.200 1.00 20.03 N ATOM 328 CA SER A 20 -5.449 -8.312 -2.608 1.00 42.32 C ATOM 329 C SER A 20 -5.797 -7.264 -3.679 1.00 10.50 C ATOM 330 O SER A 20 -6.220 -7.614 -4.772 1.00 73.31 O ATOM 331 CB SER A 20 -6.377 -8.155 -1.381 1.00 12.32 C ATOM 332 OG SER A 20 -6.092 -9.133 -0.399 1.00 40.12 O ATOM 0 H SER A 20 -3.902 -8.035 -1.200 1.00 20.03 H new ATOM 0 HA SER A 20 -5.600 -9.303 -3.035 1.00 42.32 H new ATOM 0 HB2 SER A 20 -6.255 -7.160 -0.954 1.00 12.32 H new ATOM 0 HB3 SER A 20 -7.417 -8.242 -1.694 1.00 12.32 H new ATOM 0 HG SER A 20 -5.262 -8.898 0.066 1.00 40.12 H new ATOM 338 N LEU A 21 -5.528 -5.994 -3.339 1.00 31.44 N ATOM 339 CA LEU A 21 -5.727 -4.807 -4.199 1.00 25.22 C ATOM 340 C LEU A 21 -5.052 -4.964 -5.572 1.00 3.52 C ATOM 341 O LEU A 21 -5.590 -4.513 -6.578 1.00 11.21 O ATOM 342 CB LEU A 21 -5.156 -3.557 -3.472 1.00 74.01 C ATOM 343 CG LEU A 21 -5.856 -3.166 -2.129 1.00 14.05 C ATOM 344 CD1 LEU A 21 -4.972 -2.223 -1.280 1.00 44.02 C ATOM 345 CD2 LEU A 21 -7.229 -2.539 -2.395 1.00 51.51 C ATOM 0 H LEU A 21 -5.151 -5.752 -2.423 1.00 31.44 H new ATOM 0 HA LEU A 21 -6.796 -4.693 -4.377 1.00 25.22 H new ATOM 0 HB2 LEU A 21 -4.099 -3.730 -3.271 1.00 74.01 H new ATOM 0 HB3 LEU A 21 -5.217 -2.707 -4.151 1.00 74.01 H new ATOM 0 HG LEU A 21 -6.003 -4.081 -1.554 1.00 14.05 H new ATOM 0 HD11 LEU A 21 -5.491 -1.973 -0.355 1.00 44.02 H new ATOM 0 HD12 LEU A 21 -4.031 -2.720 -1.045 1.00 44.02 H new ATOM 0 HD13 LEU A 21 -4.770 -1.310 -1.841 1.00 44.02 H new ATOM 0 HD21 LEU A 21 -7.698 -2.275 -1.447 1.00 51.51 H new ATOM 0 HD22 LEU A 21 -7.108 -1.642 -3.003 1.00 51.51 H new ATOM 0 HD23 LEU A 21 -7.859 -3.254 -2.925 1.00 51.51 H new ATOM 357 N LEU A 22 -3.869 -5.595 -5.585 1.00 4.23 N ATOM 358 CA LEU A 22 -3.114 -5.869 -6.819 1.00 73.55 C ATOM 359 C LEU A 22 -3.870 -6.860 -7.718 1.00 13.31 C ATOM 360 O LEU A 22 -4.099 -6.585 -8.899 1.00 11.42 O ATOM 361 CB LEU A 22 -1.701 -6.410 -6.477 1.00 10.14 C ATOM 362 CG LEU A 22 -0.872 -6.978 -7.669 1.00 23.31 C ATOM 363 CD1 LEU A 22 -0.705 -5.934 -8.798 1.00 2.23 C ATOM 364 CD2 LEU A 22 0.485 -7.529 -7.183 1.00 42.11 C ATOM 0 H LEU A 22 -3.407 -5.931 -4.740 1.00 4.23 H new ATOM 0 HA LEU A 22 -3.005 -4.933 -7.368 1.00 73.55 H new ATOM 0 HB2 LEU A 22 -1.129 -5.605 -6.015 1.00 10.14 H new ATOM 0 HB3 LEU A 22 -1.807 -7.196 -5.729 1.00 10.14 H new ATOM 0 HG LEU A 22 -1.429 -7.812 -8.096 1.00 23.31 H new ATOM 0 HD11 LEU A 22 -0.122 -6.367 -9.611 1.00 2.23 H new ATOM 0 HD12 LEU A 22 -1.686 -5.642 -9.171 1.00 2.23 H new ATOM 0 HD13 LEU A 22 -0.189 -5.056 -8.409 1.00 2.23 H new ATOM 0 HD21 LEU A 22 1.045 -7.919 -8.033 1.00 42.11 H new ATOM 0 HD22 LEU A 22 1.054 -6.729 -6.710 1.00 42.11 H new ATOM 0 HD23 LEU A 22 0.316 -8.329 -6.462 1.00 42.11 H new ATOM 376 N GLU A 23 -4.260 -7.996 -7.124 1.00 64.30 N ATOM 377 CA GLU A 23 -4.992 -9.082 -7.823 1.00 71.10 C ATOM 378 C GLU A 23 -6.335 -8.558 -8.387 1.00 54.42 C ATOM 379 O GLU A 23 -6.726 -8.851 -9.535 1.00 32.35 O ATOM 380 CB GLU A 23 -5.214 -10.247 -6.826 1.00 55.41 C ATOM 381 CG GLU A 23 -3.897 -10.804 -6.235 1.00 52.24 C ATOM 382 CD GLU A 23 -4.102 -11.835 -5.109 1.00 43.24 C ATOM 383 OE1 GLU A 23 -4.359 -11.428 -3.957 1.00 0.25 O ATOM 384 OE2 GLU A 23 -4.008 -13.054 -5.374 1.00 33.14 O ATOM 0 H GLU A 23 -4.080 -8.197 -6.140 1.00 64.30 H new ATOM 0 HA GLU A 23 -4.407 -9.441 -8.670 1.00 71.10 H new ATOM 0 HB2 GLU A 23 -5.853 -9.903 -6.012 1.00 55.41 H new ATOM 0 HB3 GLU A 23 -5.747 -11.052 -7.331 1.00 55.41 H new ATOM 0 HG2 GLU A 23 -3.318 -11.265 -7.035 1.00 52.24 H new ATOM 0 HG3 GLU A 23 -3.304 -9.974 -5.850 1.00 52.24 H new ATOM 391 N LEU A 24 -6.979 -7.714 -7.571 1.00 64.34 N ATOM 392 CA LEU A 24 -8.240 -7.041 -7.900 1.00 61.35 C ATOM 393 C LEU A 24 -8.041 -6.034 -9.044 1.00 74.42 C ATOM 394 O LEU A 24 -8.850 -5.973 -9.953 1.00 12.01 O ATOM 395 CB LEU A 24 -8.793 -6.341 -6.630 1.00 34.33 C ATOM 396 CG LEU A 24 -9.190 -7.283 -5.452 1.00 34.40 C ATOM 397 CD1 LEU A 24 -9.555 -6.474 -4.188 1.00 14.24 C ATOM 398 CD2 LEU A 24 -10.319 -8.247 -5.861 1.00 2.45 C ATOM 0 H LEU A 24 -6.629 -7.475 -6.643 1.00 64.34 H new ATOM 0 HA LEU A 24 -8.964 -7.781 -8.241 1.00 61.35 H new ATOM 0 HB2 LEU A 24 -8.042 -5.638 -6.270 1.00 34.33 H new ATOM 0 HB3 LEU A 24 -9.668 -5.756 -6.913 1.00 34.33 H new ATOM 0 HG LEU A 24 -8.321 -7.893 -5.206 1.00 34.40 H new ATOM 0 HD11 LEU A 24 -9.827 -7.158 -3.384 1.00 14.24 H new ATOM 0 HD12 LEU A 24 -8.698 -5.875 -3.880 1.00 14.24 H new ATOM 0 HD13 LEU A 24 -10.397 -5.818 -4.407 1.00 14.24 H new ATOM 0 HD21 LEU A 24 -10.572 -8.890 -5.018 1.00 2.45 H new ATOM 0 HD22 LEU A 24 -11.198 -7.674 -6.157 1.00 2.45 H new ATOM 0 HD23 LEU A 24 -9.988 -8.861 -6.698 1.00 2.45 H new ATOM 410 N ALA A 25 -6.921 -5.291 -9.006 1.00 31.23 N ATOM 411 CA ALA A 25 -6.568 -4.302 -10.055 1.00 53.42 C ATOM 412 C ALA A 25 -6.313 -4.993 -11.406 1.00 24.23 C ATOM 413 O ALA A 25 -6.643 -4.452 -12.467 1.00 15.24 O ATOM 414 CB ALA A 25 -5.345 -3.481 -9.627 1.00 25.43 C ATOM 0 H ALA A 25 -6.235 -5.354 -8.254 1.00 31.23 H new ATOM 0 HA ALA A 25 -7.413 -3.626 -10.181 1.00 53.42 H new ATOM 0 HB1 ALA A 25 -5.099 -2.761 -10.407 1.00 25.43 H new ATOM 0 HB2 ALA A 25 -5.568 -2.951 -8.701 1.00 25.43 H new ATOM 0 HB3 ALA A 25 -4.497 -4.147 -9.468 1.00 25.43 H new ATOM 420 N GLN A 26 -5.746 -6.210 -11.335 1.00 62.34 N ATOM 421 CA GLN A 26 -5.531 -7.082 -12.505 1.00 14.10 C ATOM 422 C GLN A 26 -6.877 -7.555 -13.088 1.00 62.43 C ATOM 423 O GLN A 26 -7.020 -7.672 -14.307 1.00 31.43 O ATOM 424 CB GLN A 26 -4.652 -8.297 -12.101 1.00 11.04 C ATOM 425 CG GLN A 26 -3.191 -7.949 -11.689 1.00 52.40 C ATOM 426 CD GLN A 26 -2.237 -7.680 -12.874 1.00 21.33 C ATOM 427 OE1 GLN A 26 -2.657 -7.269 -13.954 1.00 51.11 O ATOM 428 NE2 GLN A 26 -0.933 -7.857 -12.674 1.00 13.14 N ATOM 0 H GLN A 26 -5.422 -6.620 -10.459 1.00 62.34 H new ATOM 0 HA GLN A 26 -5.013 -6.513 -13.277 1.00 14.10 H new ATOM 0 HB2 GLN A 26 -5.134 -8.814 -11.271 1.00 11.04 H new ATOM 0 HB3 GLN A 26 -4.620 -8.996 -12.936 1.00 11.04 H new ATOM 0 HG2 GLN A 26 -3.208 -7.069 -11.046 1.00 52.40 H new ATOM 0 HG3 GLN A 26 -2.789 -8.770 -11.095 1.00 52.40 H new ATOM 0 HE21 GLN A 26 -0.597 -8.198 -11.774 1.00 13.14 H new ATOM 0 HE22 GLN A 26 -0.270 -7.651 -13.421 1.00 13.14 H new ATOM 437 N ARG A 27 -7.856 -7.832 -12.201 1.00 75.23 N ATOM 438 CA ARG A 27 -9.235 -8.190 -12.622 1.00 64.25 C ATOM 439 C ARG A 27 -10.076 -6.954 -13.020 1.00 60.32 C ATOM 440 O ARG A 27 -11.107 -7.095 -13.689 1.00 11.31 O ATOM 441 CB ARG A 27 -9.947 -8.984 -11.498 1.00 21.52 C ATOM 442 CG ARG A 27 -9.283 -10.327 -11.110 1.00 63.24 C ATOM 443 CD ARG A 27 -9.303 -11.400 -12.229 1.00 12.12 C ATOM 444 NE ARG A 27 -8.439 -11.069 -13.386 1.00 61.33 N ATOM 445 CZ ARG A 27 -7.140 -11.396 -13.518 1.00 1.20 C ATOM 446 NH1 ARG A 27 -6.500 -12.080 -12.579 1.00 75.24 N ATOM 447 NH2 ARG A 27 -6.482 -11.021 -14.602 1.00 40.33 N ATOM 0 H ARG A 27 -7.721 -7.816 -11.190 1.00 75.23 H new ATOM 0 HA ARG A 27 -9.146 -8.814 -13.511 1.00 64.25 H new ATOM 0 HB2 ARG A 27 -10.000 -8.355 -10.610 1.00 21.52 H new ATOM 0 HB3 ARG A 27 -10.972 -9.182 -11.810 1.00 21.52 H new ATOM 0 HG2 ARG A 27 -8.248 -10.137 -10.824 1.00 63.24 H new ATOM 0 HG3 ARG A 27 -9.788 -10.727 -10.231 1.00 63.24 H new ATOM 0 HD2 ARG A 27 -8.985 -12.355 -11.810 1.00 12.12 H new ATOM 0 HD3 ARG A 27 -10.328 -11.530 -12.577 1.00 12.12 H new ATOM 0 HE ARG A 27 -8.867 -10.547 -14.151 1.00 61.33 H new ATOM 0 HH11 ARG A 27 -6.993 -12.370 -11.734 1.00 75.24 H new ATOM 0 HH12 ARG A 27 -5.515 -12.316 -12.702 1.00 75.24 H new ATOM 0 HH21 ARG A 27 -6.959 -10.488 -15.329 1.00 40.33 H new ATOM 0 HH22 ARG A 27 -5.497 -11.264 -14.711 1.00 40.33 H new ATOM 461 N GLY A 28 -9.621 -5.759 -12.609 1.00 50.43 N ATOM 462 CA GLY A 28 -10.347 -4.505 -12.858 1.00 4.21 C ATOM 463 C GLY A 28 -11.398 -4.196 -11.798 1.00 2.24 C ATOM 464 O GLY A 28 -12.299 -3.389 -12.035 1.00 51.23 O ATOM 0 H GLY A 28 -8.746 -5.636 -12.099 1.00 50.43 H new ATOM 0 HA2 GLY A 28 -9.633 -3.683 -12.902 1.00 4.21 H new ATOM 0 HA3 GLY A 28 -10.830 -4.561 -13.833 1.00 4.21 H new ATOM 468 N GLU A 29 -11.300 -4.861 -10.635 1.00 13.33 N ATOM 469 CA GLU A 29 -12.166 -4.603 -9.470 1.00 52.11 C ATOM 470 C GLU A 29 -11.802 -3.262 -8.792 1.00 54.23 C ATOM 471 O GLU A 29 -11.269 -3.238 -7.670 1.00 60.11 O ATOM 472 CB GLU A 29 -12.048 -5.770 -8.459 1.00 44.35 C ATOM 473 CG GLU A 29 -12.442 -7.153 -9.004 1.00 64.42 C ATOM 474 CD GLU A 29 -13.913 -7.225 -9.441 1.00 54.04 C ATOM 475 OE1 GLU A 29 -14.199 -7.174 -10.658 1.00 32.24 O ATOM 476 OE2 GLU A 29 -14.796 -7.314 -8.561 1.00 51.14 O ATOM 0 H GLU A 29 -10.613 -5.598 -10.475 1.00 13.33 H new ATOM 0 HA GLU A 29 -13.197 -4.533 -9.816 1.00 52.11 H new ATOM 0 HB2 GLU A 29 -11.019 -5.818 -8.103 1.00 44.35 H new ATOM 0 HB3 GLU A 29 -12.674 -5.546 -7.596 1.00 44.35 H new ATOM 0 HG2 GLU A 29 -11.803 -7.399 -9.852 1.00 64.42 H new ATOM 0 HG3 GLU A 29 -12.258 -7.906 -8.238 1.00 64.42 H new ATOM 483 N TRP A 30 -12.120 -2.154 -9.482 1.00 74.52 N ATOM 484 CA TRP A 30 -11.732 -0.803 -9.057 1.00 12.51 C ATOM 485 C TRP A 30 -12.456 -0.398 -7.773 1.00 5.45 C ATOM 486 O TRP A 30 -11.861 0.230 -6.906 1.00 54.33 O ATOM 487 CB TRP A 30 -11.999 0.246 -10.170 1.00 3.03 C ATOM 488 CG TRP A 30 -11.433 -0.115 -11.537 1.00 63.04 C ATOM 489 CD1 TRP A 30 -12.118 -0.158 -12.723 1.00 32.42 C ATOM 490 CD2 TRP A 30 -10.075 -0.492 -11.858 1.00 62.42 C ATOM 491 NE1 TRP A 30 -11.284 -0.541 -13.740 1.00 62.43 N ATOM 492 CE2 TRP A 30 -10.029 -0.746 -13.242 1.00 64.24 C ATOM 493 CE3 TRP A 30 -8.897 -0.638 -11.115 1.00 44.34 C ATOM 494 CZ2 TRP A 30 -8.862 -1.136 -13.896 1.00 71.33 C ATOM 495 CZ3 TRP A 30 -7.742 -1.029 -11.764 1.00 31.34 C ATOM 496 CH2 TRP A 30 -7.730 -1.273 -13.143 1.00 22.15 C ATOM 0 H TRP A 30 -12.654 -2.172 -10.351 1.00 74.52 H new ATOM 0 HA TRP A 30 -10.660 -0.827 -8.861 1.00 12.51 H new ATOM 0 HB2 TRP A 30 -13.075 0.389 -10.264 1.00 3.03 H new ATOM 0 HB3 TRP A 30 -11.577 1.201 -9.858 1.00 3.03 H new ATOM 0 HD1 TRP A 30 -13.166 0.077 -12.839 1.00 32.42 H new ATOM 0 HE1 TRP A 30 -11.557 -0.655 -14.716 1.00 62.43 H new ATOM 0 HE3 TRP A 30 -8.892 -0.448 -10.052 1.00 44.34 H new ATOM 0 HZ2 TRP A 30 -8.853 -1.323 -14.960 1.00 71.33 H new ATOM 0 HZ3 TRP A 30 -6.831 -1.149 -11.197 1.00 31.34 H new ATOM 0 HH2 TRP A 30 -6.809 -1.575 -13.620 1.00 22.15 H new ATOM 507 N ASP A 31 -13.733 -0.808 -7.654 1.00 21.25 N ATOM 508 CA ASP A 31 -14.592 -0.480 -6.494 1.00 12.42 C ATOM 509 C ASP A 31 -13.994 -1.001 -5.178 1.00 51.32 C ATOM 510 O ASP A 31 -14.045 -0.317 -4.155 1.00 3.32 O ATOM 511 CB ASP A 31 -16.016 -1.059 -6.685 1.00 45.43 C ATOM 512 CG ASP A 31 -16.767 -0.442 -7.872 1.00 2.13 C ATOM 513 OD1 ASP A 31 -16.635 -0.947 -9.000 1.00 74.21 O ATOM 514 OD2 ASP A 31 -17.487 0.560 -7.684 1.00 40.13 O ATOM 0 H ASP A 31 -14.201 -1.377 -8.359 1.00 21.25 H new ATOM 0 HA ASP A 31 -14.650 0.607 -6.435 1.00 12.42 H new ATOM 0 HB2 ASP A 31 -15.946 -2.137 -6.829 1.00 45.43 H new ATOM 0 HB3 ASP A 31 -16.592 -0.896 -5.774 1.00 45.43 H new ATOM 519 N LEU A 32 -13.415 -2.208 -5.232 1.00 45.53 N ATOM 520 CA LEU A 32 -12.769 -2.837 -4.068 1.00 50.42 C ATOM 521 C LEU A 32 -11.473 -2.100 -3.684 1.00 11.44 C ATOM 522 O LEU A 32 -11.139 -2.027 -2.506 1.00 73.14 O ATOM 523 CB LEU A 32 -12.514 -4.338 -4.338 1.00 74.20 C ATOM 524 CG LEU A 32 -13.790 -5.229 -4.497 1.00 21.10 C ATOM 525 CD1 LEU A 32 -13.395 -6.700 -4.719 1.00 51.21 C ATOM 526 CD2 LEU A 32 -14.740 -5.089 -3.279 1.00 21.23 C ATOM 0 H LEU A 32 -13.380 -2.775 -6.079 1.00 45.53 H new ATOM 0 HA LEU A 32 -13.445 -2.760 -3.216 1.00 50.42 H new ATOM 0 HB2 LEU A 32 -11.916 -4.428 -5.245 1.00 74.20 H new ATOM 0 HB3 LEU A 32 -11.915 -4.738 -3.520 1.00 74.20 H new ATOM 0 HG LEU A 32 -14.333 -4.879 -5.375 1.00 21.10 H new ATOM 0 HD11 LEU A 32 -14.295 -7.306 -4.828 1.00 51.21 H new ATOM 0 HD12 LEU A 32 -12.791 -6.782 -5.623 1.00 51.21 H new ATOM 0 HD13 LEU A 32 -12.819 -7.055 -3.864 1.00 51.21 H new ATOM 0 HD21 LEU A 32 -15.615 -5.722 -3.425 1.00 21.23 H new ATOM 0 HD22 LEU A 32 -14.217 -5.396 -2.373 1.00 21.23 H new ATOM 0 HD23 LEU A 32 -15.056 -4.050 -3.182 1.00 21.23 H new ATOM 538 N LEU A 33 -10.766 -1.538 -4.687 1.00 70.44 N ATOM 539 CA LEU A 33 -9.605 -0.643 -4.439 1.00 43.43 C ATOM 540 C LEU A 33 -10.057 0.649 -3.743 1.00 31.33 C ATOM 541 O LEU A 33 -9.432 1.080 -2.785 1.00 20.40 O ATOM 542 CB LEU A 33 -8.807 -0.316 -5.745 1.00 12.02 C ATOM 543 CG LEU A 33 -7.732 -1.364 -6.181 1.00 33.15 C ATOM 544 CD1 LEU A 33 -8.354 -2.732 -6.511 1.00 61.13 C ATOM 545 CD2 LEU A 33 -6.895 -0.829 -7.360 1.00 20.24 C ATOM 0 H LEU A 33 -10.974 -1.685 -5.675 1.00 70.44 H new ATOM 0 HA LEU A 33 -8.925 -1.182 -3.780 1.00 43.43 H new ATOM 0 HB2 LEU A 33 -9.520 -0.198 -6.561 1.00 12.02 H new ATOM 0 HB3 LEU A 33 -8.312 0.646 -5.612 1.00 12.02 H new ATOM 0 HG LEU A 33 -7.066 -1.519 -5.332 1.00 33.15 H new ATOM 0 HD11 LEU A 33 -7.568 -3.427 -6.809 1.00 61.13 H new ATOM 0 HD12 LEU A 33 -8.867 -3.120 -5.631 1.00 61.13 H new ATOM 0 HD13 LEU A 33 -9.068 -2.620 -7.327 1.00 61.13 H new ATOM 0 HD21 LEU A 33 -6.153 -1.574 -7.647 1.00 20.24 H new ATOM 0 HD22 LEU A 33 -7.549 -0.623 -8.207 1.00 20.24 H new ATOM 0 HD23 LEU A 33 -6.390 0.089 -7.060 1.00 20.24 H new ATOM 557 N LEU A 34 -11.177 1.219 -4.218 1.00 44.53 N ATOM 558 CA LEU A 34 -11.724 2.502 -3.714 1.00 53.44 C ATOM 559 C LEU A 34 -12.387 2.328 -2.331 1.00 62.42 C ATOM 560 O LEU A 34 -12.543 3.297 -1.579 1.00 1.13 O ATOM 561 CB LEU A 34 -12.740 3.074 -4.740 1.00 22.41 C ATOM 562 CG LEU A 34 -12.214 3.263 -6.207 1.00 14.14 C ATOM 563 CD1 LEU A 34 -13.268 3.938 -7.119 1.00 74.35 C ATOM 564 CD2 LEU A 34 -10.870 4.018 -6.240 1.00 23.14 C ATOM 0 H LEU A 34 -11.735 0.806 -4.965 1.00 44.53 H new ATOM 0 HA LEU A 34 -10.900 3.205 -3.594 1.00 53.44 H new ATOM 0 HB2 LEU A 34 -13.606 2.413 -4.769 1.00 22.41 H new ATOM 0 HB3 LEU A 34 -13.089 4.040 -4.374 1.00 22.41 H new ATOM 0 HG LEU A 34 -12.036 2.266 -6.609 1.00 14.14 H new ATOM 0 HD11 LEU A 34 -12.862 4.049 -8.124 1.00 74.35 H new ATOM 0 HD12 LEU A 34 -14.166 3.321 -7.157 1.00 74.35 H new ATOM 0 HD13 LEU A 34 -13.520 4.920 -6.719 1.00 74.35 H new ATOM 0 HD21 LEU A 34 -10.540 4.128 -7.273 1.00 23.14 H new ATOM 0 HD22 LEU A 34 -10.995 5.004 -5.792 1.00 23.14 H new ATOM 0 HD23 LEU A 34 -10.123 3.456 -5.679 1.00 23.14 H new ATOM 576 N GLN A 35 -12.789 1.085 -2.023 1.00 54.53 N ATOM 577 CA GLN A 35 -13.375 0.714 -0.720 1.00 21.01 C ATOM 578 C GLN A 35 -12.256 0.531 0.322 1.00 63.52 C ATOM 579 O GLN A 35 -12.219 1.203 1.356 1.00 4.01 O ATOM 580 CB GLN A 35 -14.200 -0.598 -0.865 1.00 3.22 C ATOM 581 CG GLN A 35 -14.986 -1.019 0.390 1.00 64.30 C ATOM 582 CD GLN A 35 -16.038 0.012 0.818 1.00 42.45 C ATOM 583 OE1 GLN A 35 -15.776 0.895 1.643 1.00 75.31 O ATOM 584 NE2 GLN A 35 -17.225 -0.081 0.249 1.00 71.23 N ATOM 0 H GLN A 35 -12.717 0.302 -2.673 1.00 54.53 H new ATOM 0 HA GLN A 35 -14.040 1.510 -0.385 1.00 21.01 H new ATOM 0 HB2 GLN A 35 -14.902 -0.478 -1.690 1.00 3.22 H new ATOM 0 HB3 GLN A 35 -13.522 -1.407 -1.138 1.00 3.22 H new ATOM 0 HG2 GLN A 35 -15.478 -1.973 0.200 1.00 64.30 H new ATOM 0 HG3 GLN A 35 -14.288 -1.179 1.212 1.00 64.30 H new ATOM 0 HE21 GLN A 35 -17.409 -0.821 -0.428 1.00 71.23 H new ATOM 0 HE22 GLN A 35 -17.958 0.587 0.486 1.00 71.23 H new ATOM 593 N GLN A 36 -11.327 -0.378 -0.009 1.00 21.34 N ATOM 594 CA GLN A 36 -10.167 -0.741 0.824 1.00 24.34 C ATOM 595 C GLN A 36 -9.094 0.367 0.820 1.00 51.52 C ATOM 596 O GLN A 36 -8.105 0.257 1.548 1.00 24.03 O ATOM 597 CB GLN A 36 -9.609 -2.109 0.354 1.00 1.01 C ATOM 598 CG GLN A 36 -10.574 -3.307 0.588 1.00 61.52 C ATOM 599 CD GLN A 36 -10.244 -4.580 -0.218 1.00 14.34 C ATOM 600 OE1 GLN A 36 -10.438 -5.700 0.253 1.00 12.23 O ATOM 601 NE2 GLN A 36 -9.815 -4.426 -1.460 1.00 61.42 N ATOM 0 H GLN A 36 -11.361 -0.896 -0.887 1.00 21.34 H new ATOM 0 HA GLN A 36 -10.487 -0.839 1.861 1.00 24.34 H new ATOM 0 HB2 GLN A 36 -9.376 -2.047 -0.709 1.00 1.01 H new ATOM 0 HB3 GLN A 36 -8.672 -2.305 0.875 1.00 1.01 H new ATOM 0 HG2 GLN A 36 -10.569 -3.556 1.649 1.00 61.52 H new ATOM 0 HG3 GLN A 36 -11.587 -2.991 0.340 1.00 61.52 H new ATOM 0 HE21 GLN A 36 -9.660 -3.490 -1.834 1.00 61.42 H new ATOM 0 HE22 GLN A 36 -9.640 -5.244 -2.044 1.00 61.42 H new ATOM 610 N GLU A 37 -9.274 1.384 -0.059 1.00 54.52 N ATOM 611 CA GLU A 37 -8.440 2.607 -0.115 1.00 44.31 C ATOM 612 C GLU A 37 -8.166 3.192 1.276 1.00 54.34 C ATOM 613 O GLU A 37 -7.003 3.332 1.686 1.00 71.34 O ATOM 614 CB GLU A 37 -9.150 3.677 -0.979 1.00 71.13 C ATOM 615 CG GLU A 37 -8.350 4.978 -1.199 1.00 62.21 C ATOM 616 CD GLU A 37 -9.178 6.118 -1.808 1.00 64.14 C ATOM 617 OE1 GLU A 37 -8.915 7.297 -1.474 1.00 73.31 O ATOM 618 OE2 GLU A 37 -10.107 5.837 -2.593 1.00 25.35 O ATOM 0 H GLU A 37 -10.015 1.376 -0.760 1.00 54.52 H new ATOM 0 HA GLU A 37 -7.483 2.326 -0.554 1.00 44.31 H new ATOM 0 HB2 GLU A 37 -9.380 3.242 -1.951 1.00 71.13 H new ATOM 0 HB3 GLU A 37 -10.101 3.929 -0.509 1.00 71.13 H new ATOM 0 HG2 GLU A 37 -7.941 5.308 -0.244 1.00 62.21 H new ATOM 0 HG3 GLU A 37 -7.503 4.767 -1.852 1.00 62.21 H new ATOM 625 N VAL A 38 -9.259 3.485 2.003 1.00 11.21 N ATOM 626 CA VAL A 38 -9.186 4.055 3.355 1.00 52.31 C ATOM 627 C VAL A 38 -8.418 3.119 4.300 1.00 10.52 C ATOM 628 O VAL A 38 -7.536 3.568 5.014 1.00 25.53 O ATOM 629 CB VAL A 38 -10.613 4.399 3.934 1.00 42.11 C ATOM 630 CG1 VAL A 38 -11.549 3.167 3.962 1.00 34.12 C ATOM 631 CG2 VAL A 38 -10.509 5.048 5.339 1.00 64.32 C ATOM 0 H VAL A 38 -10.211 3.333 1.670 1.00 11.21 H new ATOM 0 HA VAL A 38 -8.639 4.995 3.280 1.00 52.31 H new ATOM 0 HB VAL A 38 -11.060 5.125 3.255 1.00 42.11 H new ATOM 0 HG11 VAL A 38 -12.518 3.456 4.369 1.00 34.12 H new ATOM 0 HG12 VAL A 38 -11.679 2.786 2.949 1.00 34.12 H new ATOM 0 HG13 VAL A 38 -11.110 2.390 4.588 1.00 34.12 H new ATOM 0 HG21 VAL A 38 -11.509 5.273 5.711 1.00 64.32 H new ATOM 0 HG22 VAL A 38 -10.015 4.358 6.023 1.00 64.32 H new ATOM 0 HG23 VAL A 38 -9.931 5.969 5.272 1.00 64.32 H new ATOM 641 N SER A 39 -8.702 1.811 4.205 1.00 34.41 N ATOM 642 CA SER A 39 -8.090 0.788 5.064 1.00 43.40 C ATOM 643 C SER A 39 -6.558 0.730 4.882 1.00 1.34 C ATOM 644 O SER A 39 -5.801 0.734 5.861 1.00 34.51 O ATOM 645 CB SER A 39 -8.731 -0.578 4.749 1.00 22.14 C ATOM 646 OG SER A 39 -10.143 -0.526 4.914 1.00 33.33 O ATOM 0 H SER A 39 -9.365 1.433 3.528 1.00 34.41 H new ATOM 0 HA SER A 39 -8.274 1.049 6.106 1.00 43.40 H new ATOM 0 HB2 SER A 39 -8.491 -0.870 3.727 1.00 22.14 H new ATOM 0 HB3 SER A 39 -8.312 -1.341 5.405 1.00 22.14 H new ATOM 0 HG SER A 39 -10.529 -1.403 4.707 1.00 33.33 H new ATOM 652 N TYR A 40 -6.136 0.748 3.611 1.00 55.22 N ATOM 653 CA TYR A 40 -4.731 0.574 3.221 1.00 62.31 C ATOM 654 C TYR A 40 -3.901 1.807 3.604 1.00 3.32 C ATOM 655 O TYR A 40 -2.861 1.682 4.248 1.00 34.10 O ATOM 656 CB TYR A 40 -4.633 0.288 1.696 1.00 44.13 C ATOM 657 CG TYR A 40 -3.210 -0.042 1.195 1.00 73.24 C ATOM 658 CD1 TYR A 40 -2.618 0.664 0.145 1.00 63.45 C ATOM 659 CD2 TYR A 40 -2.464 -1.068 1.774 1.00 62.43 C ATOM 660 CE1 TYR A 40 -1.347 0.356 -0.302 1.00 55.22 C ATOM 661 CE2 TYR A 40 -1.195 -1.370 1.326 1.00 32.25 C ATOM 662 CZ TYR A 40 -0.640 -0.656 0.291 1.00 51.42 C ATOM 663 OH TYR A 40 0.631 -0.957 -0.156 1.00 53.31 O ATOM 0 H TYR A 40 -6.764 0.885 2.819 1.00 55.22 H new ATOM 0 HA TYR A 40 -4.322 -0.280 3.760 1.00 62.31 H new ATOM 0 HB2 TYR A 40 -5.292 -0.545 1.453 1.00 44.13 H new ATOM 0 HB3 TYR A 40 -5.003 1.157 1.152 1.00 44.13 H new ATOM 0 HD1 TYR A 40 -3.165 1.467 -0.327 1.00 63.45 H new ATOM 0 HD2 TYR A 40 -2.888 -1.637 2.588 1.00 62.43 H new ATOM 0 HE1 TYR A 40 -0.912 0.913 -1.118 1.00 55.22 H new ATOM 0 HE2 TYR A 40 -0.636 -2.169 1.790 1.00 32.25 H new ATOM 0 HH TYR A 40 1.039 -1.620 0.439 1.00 53.31 H new ATOM 673 N LEU A 41 -4.401 2.995 3.222 1.00 51.03 N ATOM 674 CA LEU A 41 -3.708 4.278 3.465 1.00 14.12 C ATOM 675 C LEU A 41 -3.684 4.644 4.972 1.00 33.44 C ATOM 676 O LEU A 41 -2.743 5.301 5.441 1.00 71.14 O ATOM 677 CB LEU A 41 -4.362 5.406 2.620 1.00 71.04 C ATOM 678 CG LEU A 41 -4.333 5.202 1.062 1.00 51.12 C ATOM 679 CD1 LEU A 41 -4.968 6.402 0.312 1.00 3.23 C ATOM 680 CD2 LEU A 41 -2.898 4.928 0.556 1.00 42.31 C ATOM 0 H LEU A 41 -5.293 3.096 2.738 1.00 51.03 H new ATOM 0 HA LEU A 41 -2.670 4.166 3.152 1.00 14.12 H new ATOM 0 HB2 LEU A 41 -5.400 5.513 2.934 1.00 71.04 H new ATOM 0 HB3 LEU A 41 -3.861 6.345 2.853 1.00 71.04 H new ATOM 0 HG LEU A 41 -4.939 4.323 0.843 1.00 51.12 H new ATOM 0 HD11 LEU A 41 -4.928 6.222 -0.762 1.00 3.23 H new ATOM 0 HD12 LEU A 41 -6.007 6.517 0.623 1.00 3.23 H new ATOM 0 HD13 LEU A 41 -4.416 7.312 0.548 1.00 3.23 H new ATOM 0 HD21 LEU A 41 -2.913 4.792 -0.525 1.00 42.31 H new ATOM 0 HD22 LEU A 41 -2.256 5.773 0.806 1.00 42.31 H new ATOM 0 HD23 LEU A 41 -2.511 4.026 1.030 1.00 42.31 H new ATOM 692 N GLN A 42 -4.716 4.195 5.716 1.00 42.11 N ATOM 693 CA GLN A 42 -4.815 4.393 7.180 1.00 13.25 C ATOM 694 C GLN A 42 -3.826 3.469 7.908 1.00 31.32 C ATOM 695 O GLN A 42 -3.188 3.884 8.878 1.00 61.54 O ATOM 696 CB GLN A 42 -6.272 4.143 7.654 1.00 31.40 C ATOM 697 CG GLN A 42 -6.536 4.375 9.153 1.00 40.30 C ATOM 698 CD GLN A 42 -8.009 4.196 9.521 1.00 14.10 C ATOM 699 OE1 GLN A 42 -8.788 5.152 9.520 1.00 21.43 O ATOM 700 NE2 GLN A 42 -8.401 2.966 9.808 1.00 54.11 N ATOM 0 H GLN A 42 -5.505 3.685 5.320 1.00 42.11 H new ATOM 0 HA GLN A 42 -4.553 5.423 7.421 1.00 13.25 H new ATOM 0 HB2 GLN A 42 -6.937 4.791 7.082 1.00 31.40 H new ATOM 0 HB3 GLN A 42 -6.542 3.115 7.411 1.00 31.40 H new ATOM 0 HG2 GLN A 42 -5.932 3.681 9.737 1.00 40.30 H new ATOM 0 HG3 GLN A 42 -6.217 5.381 9.424 1.00 40.30 H new ATOM 0 HE21 GLN A 42 -7.727 2.201 9.798 1.00 54.11 H new ATOM 0 HE22 GLN A 42 -9.377 2.783 10.039 1.00 54.11 H new ATOM 709 N SER A 43 -3.686 2.221 7.408 1.00 40.42 N ATOM 710 CA SER A 43 -2.706 1.249 7.947 1.00 22.44 C ATOM 711 C SER A 43 -1.250 1.742 7.717 1.00 53.03 C ATOM 712 O SER A 43 -0.388 1.616 8.603 1.00 42.02 O ATOM 713 CB SER A 43 -2.932 -0.148 7.329 1.00 71.41 C ATOM 714 OG SER A 43 -4.210 -0.665 7.670 1.00 44.32 O ATOM 0 H SER A 43 -4.240 1.862 6.631 1.00 40.42 H new ATOM 0 HA SER A 43 -2.858 1.168 9.023 1.00 22.44 H new ATOM 0 HB2 SER A 43 -2.840 -0.087 6.245 1.00 71.41 H new ATOM 0 HB3 SER A 43 -2.157 -0.831 7.677 1.00 71.41 H new ATOM 0 HG SER A 43 -4.893 -0.252 7.101 1.00 44.32 H new ATOM 720 N ILE A 44 -1.016 2.322 6.525 1.00 72.32 N ATOM 721 CA ILE A 44 0.251 2.992 6.148 1.00 32.11 C ATOM 722 C ILE A 44 0.575 4.131 7.140 1.00 62.01 C ATOM 723 O ILE A 44 1.680 4.189 7.708 1.00 22.03 O ATOM 724 CB ILE A 44 0.138 3.537 4.656 1.00 45.31 C ATOM 725 CG1 ILE A 44 0.261 2.359 3.619 1.00 61.33 C ATOM 726 CG2 ILE A 44 1.143 4.676 4.356 1.00 42.32 C ATOM 727 CD1 ILE A 44 0.067 2.745 2.155 1.00 40.31 C ATOM 0 H ILE A 44 -1.713 2.341 5.780 1.00 72.32 H new ATOM 0 HA ILE A 44 1.070 2.274 6.194 1.00 32.11 H new ATOM 0 HB ILE A 44 -0.853 3.978 4.551 1.00 45.31 H new ATOM 0 HG12 ILE A 44 1.245 1.904 3.729 1.00 61.33 H new ATOM 0 HG13 ILE A 44 -0.474 1.595 3.875 1.00 61.33 H new ATOM 0 HG21 ILE A 44 1.020 5.008 3.325 1.00 42.32 H new ATOM 0 HG22 ILE A 44 0.958 5.512 5.031 1.00 42.32 H new ATOM 0 HG23 ILE A 44 2.160 4.311 4.501 1.00 42.32 H new ATOM 0 HD11 ILE A 44 0.172 1.860 1.528 1.00 40.31 H new ATOM 0 HD12 ILE A 44 -0.928 3.169 2.019 1.00 40.31 H new ATOM 0 HD13 ILE A 44 0.818 3.482 1.871 1.00 40.31 H new ATOM 739 N GLU A 45 -0.437 4.987 7.363 1.00 23.45 N ATOM 740 CA GLU A 45 -0.342 6.151 8.251 1.00 12.03 C ATOM 741 C GLU A 45 0.090 5.725 9.671 1.00 11.21 C ATOM 742 O GLU A 45 1.133 6.163 10.171 1.00 71.25 O ATOM 743 CB GLU A 45 -1.714 6.877 8.281 1.00 71.22 C ATOM 744 CG GLU A 45 -1.757 8.157 9.135 1.00 72.14 C ATOM 745 CD GLU A 45 -0.875 9.296 8.587 1.00 51.33 C ATOM 746 OE1 GLU A 45 -1.280 9.950 7.602 1.00 44.14 O ATOM 747 OE2 GLU A 45 0.215 9.555 9.141 1.00 41.33 O ATOM 0 H GLU A 45 -1.353 4.886 6.925 1.00 23.45 H new ATOM 0 HA GLU A 45 0.418 6.835 7.872 1.00 12.03 H new ATOM 0 HB2 GLU A 45 -1.996 7.131 7.259 1.00 71.22 H new ATOM 0 HB3 GLU A 45 -2.467 6.183 8.656 1.00 71.22 H new ATOM 0 HG2 GLU A 45 -2.788 8.506 9.199 1.00 72.14 H new ATOM 0 HG3 GLU A 45 -1.438 7.918 10.149 1.00 72.14 H new ATOM 754 N THR A 46 -0.688 4.804 10.272 1.00 41.22 N ATOM 755 CA THR A 46 -0.473 4.363 11.661 1.00 35.13 C ATOM 756 C THR A 46 0.882 3.635 11.837 1.00 55.30 C ATOM 757 O THR A 46 1.568 3.853 12.844 1.00 40.45 O ATOM 758 CB THR A 46 -1.653 3.468 12.190 1.00 54.45 C ATOM 759 OG1 THR A 46 -1.399 3.048 13.537 1.00 21.11 O ATOM 760 CG2 THR A 46 -1.898 2.224 11.337 1.00 41.41 C ATOM 0 H THR A 46 -1.476 4.349 9.812 1.00 41.22 H new ATOM 0 HA THR A 46 -0.447 5.270 12.265 1.00 35.13 H new ATOM 0 HB THR A 46 -2.544 4.093 12.138 1.00 54.45 H new ATOM 0 HG1 THR A 46 -2.143 2.493 13.852 1.00 21.11 H new ATOM 0 HG21 THR A 46 -2.725 1.652 11.757 1.00 41.41 H new ATOM 0 HG22 THR A 46 -2.145 2.524 10.319 1.00 41.41 H new ATOM 0 HG23 THR A 46 -0.999 1.608 11.326 1.00 41.41 H new ATOM 768 N VAL A 47 1.289 2.813 10.846 1.00 62.34 N ATOM 769 CA VAL A 47 2.513 1.993 10.971 1.00 30.34 C ATOM 770 C VAL A 47 3.783 2.862 10.848 1.00 65.23 C ATOM 771 O VAL A 47 4.782 2.618 11.530 1.00 21.25 O ATOM 772 CB VAL A 47 2.542 0.807 9.928 1.00 62.12 C ATOM 773 CG1 VAL A 47 3.085 1.236 8.546 1.00 25.22 C ATOM 774 CG2 VAL A 47 3.321 -0.400 10.480 1.00 41.40 C ATOM 0 H VAL A 47 0.795 2.700 9.961 1.00 62.34 H new ATOM 0 HA VAL A 47 2.497 1.550 11.967 1.00 30.34 H new ATOM 0 HB VAL A 47 1.506 0.506 9.774 1.00 62.12 H new ATOM 0 HG11 VAL A 47 3.081 0.380 7.872 1.00 25.22 H new ATOM 0 HG12 VAL A 47 2.453 2.024 8.136 1.00 25.22 H new ATOM 0 HG13 VAL A 47 4.104 1.608 8.655 1.00 25.22 H new ATOM 0 HG21 VAL A 47 3.324 -1.200 9.740 1.00 41.40 H new ATOM 0 HG22 VAL A 47 4.347 -0.103 10.697 1.00 41.40 H new ATOM 0 HG23 VAL A 47 2.845 -0.753 11.395 1.00 41.40 H new ATOM 784 N MET A 48 3.724 3.889 9.968 1.00 63.40 N ATOM 785 CA MET A 48 4.859 4.801 9.738 1.00 71.04 C ATOM 786 C MET A 48 4.950 5.837 10.868 1.00 63.11 C ATOM 787 O MET A 48 6.031 6.365 11.153 1.00 4.33 O ATOM 788 CB MET A 48 4.735 5.481 8.348 1.00 11.42 C ATOM 789 CG MET A 48 5.909 6.396 7.971 1.00 35.21 C ATOM 790 SD MET A 48 5.766 7.062 6.296 1.00 31.50 S ATOM 791 CE MET A 48 5.906 5.576 5.295 1.00 32.42 C ATOM 0 H MET A 48 2.899 4.103 9.407 1.00 63.40 H new ATOM 0 HA MET A 48 5.783 4.223 9.742 1.00 71.04 H new ATOM 0 HB2 MET A 48 4.638 4.706 7.588 1.00 11.42 H new ATOM 0 HB3 MET A 48 3.815 6.066 8.326 1.00 11.42 H new ATOM 0 HG2 MET A 48 5.964 7.221 8.682 1.00 35.21 H new ATOM 0 HG3 MET A 48 6.841 5.838 8.057 1.00 35.21 H new ATOM 0 HE1 MET A 48 6.797 5.640 4.671 1.00 32.42 H new ATOM 0 HE2 MET A 48 5.981 4.705 5.946 1.00 32.42 H new ATOM 0 HE3 MET A 48 5.025 5.481 4.660 1.00 32.42 H new ATOM 801 N GLU A 49 3.804 6.117 11.516 1.00 10.12 N ATOM 802 CA GLU A 49 3.748 7.041 12.662 1.00 0.33 C ATOM 803 C GLU A 49 4.314 6.334 13.924 1.00 21.00 C ATOM 804 O GLU A 49 5.043 6.947 14.711 1.00 14.32 O ATOM 805 CB GLU A 49 2.268 7.507 12.871 1.00 10.23 C ATOM 806 CG GLU A 49 2.058 8.808 13.691 1.00 71.42 C ATOM 807 CD GLU A 49 2.356 8.667 15.192 1.00 25.05 C ATOM 808 OE1 GLU A 49 3.270 9.340 15.712 1.00 44.15 O ATOM 809 OE2 GLU A 49 1.696 7.840 15.852 1.00 52.02 O ATOM 0 H GLU A 49 2.902 5.714 11.263 1.00 10.12 H new ATOM 0 HA GLU A 49 4.359 7.924 12.473 1.00 0.33 H new ATOM 0 HB2 GLU A 49 1.813 7.645 11.890 1.00 10.23 H new ATOM 0 HB3 GLU A 49 1.724 6.702 13.364 1.00 10.23 H new ATOM 0 HG2 GLU A 49 2.695 9.590 13.278 1.00 71.42 H new ATOM 0 HG3 GLU A 49 1.027 9.139 13.567 1.00 71.42 H new ATOM 923 N THR A 57 13.904 -6.908 17.731 1.00 21.42 N ATOM 924 CA THR A 57 14.380 -8.308 17.762 1.00 31.21 C ATOM 925 C THR A 57 14.228 -8.984 16.379 1.00 51.14 C ATOM 926 O THR A 57 13.430 -8.532 15.539 1.00 11.22 O ATOM 927 CB THR A 57 13.683 -9.149 18.889 1.00 62.40 C ATOM 928 OG1 THR A 57 14.454 -10.333 19.156 1.00 32.03 O ATOM 929 CG2 THR A 57 12.244 -9.556 18.545 1.00 60.23 C ATOM 0 HA THR A 57 15.442 -8.276 18.004 1.00 31.21 H new ATOM 0 HB THR A 57 13.634 -8.507 19.768 1.00 62.40 H new ATOM 0 HG1 THR A 57 14.018 -10.855 19.861 1.00 32.03 H new ATOM 0 HG21 THR A 57 11.823 -10.134 19.367 1.00 60.23 H new ATOM 0 HG22 THR A 57 11.642 -8.662 18.385 1.00 60.23 H new ATOM 0 HG23 THR A 57 12.244 -10.161 17.638 1.00 60.23 H new ATOM 937 N ARG A 58 14.960 -10.097 16.203 1.00 70.32 N ATOM 938 CA ARG A 58 15.235 -10.717 14.886 1.00 13.11 C ATOM 939 C ARG A 58 13.969 -11.277 14.217 1.00 34.22 C ATOM 940 O ARG A 58 13.761 -11.053 13.028 1.00 21.23 O ATOM 941 CB ARG A 58 16.325 -11.833 15.002 1.00 60.43 C ATOM 942 CG ARG A 58 17.776 -11.342 15.291 1.00 13.31 C ATOM 943 CD ARG A 58 17.987 -10.806 16.719 1.00 24.23 C ATOM 944 NE ARG A 58 19.355 -10.307 16.933 1.00 24.04 N ATOM 945 CZ ARG A 58 19.883 -9.978 18.124 1.00 74.21 C ATOM 946 NH1 ARG A 58 19.167 -10.088 19.249 1.00 2.10 N ATOM 947 NH2 ARG A 58 21.134 -9.552 18.176 1.00 73.14 N ATOM 0 H ARG A 58 15.386 -10.602 16.980 1.00 70.32 H new ATOM 0 HA ARG A 58 15.613 -9.919 14.247 1.00 13.11 H new ATOM 0 HB2 ARG A 58 16.030 -12.520 15.795 1.00 60.43 H new ATOM 0 HB3 ARG A 58 16.334 -12.403 14.073 1.00 60.43 H new ATOM 0 HG2 ARG A 58 18.468 -12.166 15.118 1.00 13.31 H new ATOM 0 HG3 ARG A 58 18.031 -10.557 14.579 1.00 13.31 H new ATOM 0 HD2 ARG A 58 17.276 -10.003 16.912 1.00 24.23 H new ATOM 0 HD3 ARG A 58 17.775 -11.598 17.437 1.00 24.23 H new ATOM 0 HE ARG A 58 19.950 -10.203 16.111 1.00 24.04 H new ATOM 0 HH11 ARG A 58 18.205 -10.426 19.211 1.00 2.10 H new ATOM 0 HH12 ARG A 58 19.583 -9.834 20.145 1.00 2.10 H new ATOM 0 HH21 ARG A 58 21.683 -9.477 17.320 1.00 73.14 H new ATOM 0 HH22 ARG A 58 21.550 -9.298 19.072 1.00 73.14 H new ATOM 961 N SER A 59 13.136 -11.997 14.994 1.00 64.31 N ATOM 962 CA SER A 59 11.913 -12.650 14.472 1.00 10.20 C ATOM 963 C SER A 59 10.927 -11.614 13.894 1.00 5.42 C ATOM 964 O SER A 59 10.432 -11.759 12.761 1.00 72.23 O ATOM 965 CB SER A 59 11.238 -13.480 15.585 1.00 51.35 C ATOM 966 OG SER A 59 12.145 -14.423 16.136 1.00 32.21 O ATOM 0 H SER A 59 13.287 -12.143 15.992 1.00 64.31 H new ATOM 0 HA SER A 59 12.204 -13.317 13.661 1.00 10.20 H new ATOM 0 HB2 SER A 59 10.876 -12.816 16.370 1.00 51.35 H new ATOM 0 HB3 SER A 59 10.369 -13.999 15.181 1.00 51.35 H new ATOM 0 HG SER A 59 11.696 -14.936 16.840 1.00 32.21 H new ATOM 972 N ILE A 60 10.696 -10.542 14.686 1.00 60.31 N ATOM 973 CA ILE A 60 9.812 -9.426 14.315 1.00 61.51 C ATOM 974 C ILE A 60 10.351 -8.729 13.056 1.00 20.21 C ATOM 975 O ILE A 60 9.643 -8.619 12.067 1.00 22.12 O ATOM 976 CB ILE A 60 9.679 -8.373 15.479 1.00 64.55 C ATOM 977 CG1 ILE A 60 9.125 -9.025 16.785 1.00 20.51 C ATOM 978 CG2 ILE A 60 8.782 -7.191 15.046 1.00 52.42 C ATOM 979 CD1 ILE A 60 9.055 -8.078 17.975 1.00 12.32 C ATOM 0 H ILE A 60 11.123 -10.431 15.606 1.00 60.31 H new ATOM 0 HA ILE A 60 8.823 -9.841 14.119 1.00 61.51 H new ATOM 0 HB ILE A 60 10.679 -7.995 15.694 1.00 64.55 H new ATOM 0 HG12 ILE A 60 8.127 -9.416 16.587 1.00 20.51 H new ATOM 0 HG13 ILE A 60 9.754 -9.875 17.048 1.00 20.51 H new ATOM 0 HG21 ILE A 60 8.703 -6.475 15.864 1.00 52.42 H new ATOM 0 HG22 ILE A 60 9.220 -6.701 14.176 1.00 52.42 H new ATOM 0 HG23 ILE A 60 7.789 -7.562 14.792 1.00 52.42 H new ATOM 0 HD11 ILE A 60 8.660 -8.610 18.840 1.00 12.32 H new ATOM 0 HD12 ILE A 60 10.054 -7.706 18.203 1.00 12.32 H new ATOM 0 HD13 ILE A 60 8.401 -7.240 17.735 1.00 12.32 H new ATOM 991 N GLN A 61 11.637 -8.327 13.114 1.00 14.31 N ATOM 992 CA GLN A 61 12.312 -7.589 12.027 1.00 11.11 C ATOM 993 C GLN A 61 12.318 -8.397 10.707 1.00 14.13 C ATOM 994 O GLN A 61 12.171 -7.825 9.625 1.00 72.00 O ATOM 995 CB GLN A 61 13.761 -7.217 12.453 1.00 63.02 C ATOM 996 CG GLN A 61 14.600 -6.516 11.363 1.00 72.55 C ATOM 997 CD GLN A 61 15.987 -6.082 11.845 1.00 63.34 C ATOM 998 OE1 GLN A 61 16.944 -6.856 11.808 1.00 74.33 O ATOM 999 NE2 GLN A 61 16.115 -4.836 12.278 1.00 35.23 N ATOM 0 H GLN A 61 12.238 -8.506 13.918 1.00 14.31 H new ATOM 0 HA GLN A 61 11.752 -6.672 11.843 1.00 11.11 H new ATOM 0 HB2 GLN A 61 13.712 -6.567 13.327 1.00 63.02 H new ATOM 0 HB3 GLN A 61 14.278 -8.126 12.761 1.00 63.02 H new ATOM 0 HG2 GLN A 61 14.714 -7.190 10.514 1.00 72.55 H new ATOM 0 HG3 GLN A 61 14.058 -5.641 11.005 1.00 72.55 H new ATOM 0 HE21 GLN A 61 15.304 -4.217 12.297 1.00 35.23 H new ATOM 0 HE22 GLN A 61 17.024 -4.496 12.592 1.00 35.23 H new ATOM 1008 N ASP A 62 12.454 -9.731 10.822 1.00 72.43 N ATOM 1009 CA ASP A 62 12.474 -10.652 9.664 1.00 42.44 C ATOM 1010 C ASP A 62 11.098 -10.699 8.993 1.00 64.52 C ATOM 1011 O ASP A 62 10.979 -10.438 7.789 1.00 12.15 O ATOM 1012 CB ASP A 62 12.901 -12.075 10.103 1.00 44.43 C ATOM 1013 CG ASP A 62 12.935 -13.085 8.937 1.00 31.15 C ATOM 1014 OD1 ASP A 62 11.946 -13.830 8.738 1.00 2.11 O ATOM 1015 OD2 ASP A 62 13.946 -13.123 8.206 1.00 21.43 O ATOM 0 H ASP A 62 12.553 -10.204 11.720 1.00 72.43 H new ATOM 0 HA ASP A 62 13.203 -10.278 8.945 1.00 42.44 H new ATOM 0 HB2 ASP A 62 13.889 -12.026 10.562 1.00 44.43 H new ATOM 0 HB3 ASP A 62 12.212 -12.435 10.867 1.00 44.43 H new ATOM 1020 N MET A 63 10.063 -11.026 9.794 1.00 50.53 N ATOM 1021 CA MET A 63 8.677 -11.130 9.298 1.00 3.32 C ATOM 1022 C MET A 63 8.205 -9.792 8.698 1.00 43.25 C ATOM 1023 O MET A 63 7.672 -9.761 7.588 1.00 21.13 O ATOM 1024 CB MET A 63 7.715 -11.616 10.415 1.00 34.13 C ATOM 1025 CG MET A 63 7.968 -13.050 10.900 1.00 3.04 C ATOM 1026 SD MET A 63 6.780 -13.582 12.158 1.00 1.34 S ATOM 1027 CE MET A 63 7.179 -12.503 13.541 1.00 61.43 C ATOM 0 H MET A 63 10.163 -11.223 10.790 1.00 50.53 H new ATOM 0 HA MET A 63 8.661 -11.876 8.504 1.00 3.32 H new ATOM 0 HB2 MET A 63 7.797 -10.939 11.266 1.00 34.13 H new ATOM 0 HB3 MET A 63 6.691 -11.546 10.049 1.00 34.13 H new ATOM 0 HG2 MET A 63 7.920 -13.730 10.050 1.00 3.04 H new ATOM 0 HG3 MET A 63 8.977 -13.119 11.307 1.00 3.04 H new ATOM 0 HE1 MET A 63 6.544 -12.752 14.391 1.00 61.43 H new ATOM 0 HE2 MET A 63 8.225 -12.637 13.817 1.00 61.43 H new ATOM 0 HE3 MET A 63 7.010 -11.465 13.253 1.00 61.43 H new ATOM 1037 N VAL A 64 8.494 -8.699 9.416 1.00 44.30 N ATOM 1038 CA VAL A 64 8.140 -7.331 9.014 1.00 73.24 C ATOM 1039 C VAL A 64 8.835 -6.928 7.707 1.00 31.33 C ATOM 1040 O VAL A 64 8.183 -6.396 6.821 1.00 71.24 O ATOM 1041 CB VAL A 64 8.465 -6.323 10.182 1.00 10.13 C ATOM 1042 CG1 VAL A 64 8.594 -4.866 9.697 1.00 60.21 C ATOM 1043 CG2 VAL A 64 7.400 -6.436 11.303 1.00 11.31 C ATOM 0 H VAL A 64 8.988 -8.741 10.307 1.00 44.30 H new ATOM 0 HA VAL A 64 7.068 -7.296 8.820 1.00 73.24 H new ATOM 0 HB VAL A 64 9.439 -6.604 10.582 1.00 10.13 H new ATOM 0 HG11 VAL A 64 8.818 -4.219 10.545 1.00 60.21 H new ATOM 0 HG12 VAL A 64 9.398 -4.796 8.965 1.00 60.21 H new ATOM 0 HG13 VAL A 64 7.657 -4.551 9.238 1.00 60.21 H new ATOM 0 HG21 VAL A 64 7.637 -5.734 12.103 1.00 11.31 H new ATOM 0 HG22 VAL A 64 6.416 -6.202 10.895 1.00 11.31 H new ATOM 0 HG23 VAL A 64 7.396 -7.451 11.700 1.00 11.31 H new ATOM 1053 N ALA A 65 10.140 -7.227 7.578 1.00 71.11 N ATOM 1054 CA ALA A 65 10.906 -6.913 6.348 1.00 21.00 C ATOM 1055 C ALA A 65 10.393 -7.736 5.146 1.00 24.42 C ATOM 1056 O ALA A 65 10.455 -7.282 3.992 1.00 14.42 O ATOM 1057 CB ALA A 65 12.396 -7.138 6.567 1.00 62.33 C ATOM 0 H ALA A 65 10.689 -7.684 8.306 1.00 71.11 H new ATOM 0 HA ALA A 65 10.753 -5.859 6.117 1.00 21.00 H new ATOM 0 HB1 ALA A 65 12.938 -6.901 5.651 1.00 62.33 H new ATOM 0 HB2 ALA A 65 12.747 -6.494 7.373 1.00 62.33 H new ATOM 0 HB3 ALA A 65 12.571 -8.180 6.833 1.00 62.33 H new ATOM 1063 N GLY A 66 9.860 -8.939 5.452 1.00 74.34 N ATOM 1064 CA GLY A 66 9.155 -9.758 4.469 1.00 25.20 C ATOM 1065 C GLY A 66 7.883 -9.071 3.988 1.00 12.31 C ATOM 1066 O GLY A 66 7.648 -8.982 2.788 1.00 14.14 O ATOM 0 H GLY A 66 9.911 -9.357 6.381 1.00 74.34 H new ATOM 0 HA2 GLY A 66 9.809 -9.954 3.619 1.00 25.20 H new ATOM 0 HA3 GLY A 66 8.906 -10.724 4.909 1.00 25.20 H new ATOM 1070 N TYR A 67 7.108 -8.520 4.950 1.00 70.01 N ATOM 1071 CA TYR A 67 5.861 -7.760 4.672 1.00 52.23 C ATOM 1072 C TYR A 67 6.154 -6.412 3.980 1.00 21.13 C ATOM 1073 O TYR A 67 5.317 -5.890 3.240 1.00 65.23 O ATOM 1074 CB TYR A 67 5.068 -7.504 5.981 1.00 31.22 C ATOM 1075 CG TYR A 67 4.649 -8.782 6.744 1.00 1.01 C ATOM 1076 CD1 TYR A 67 4.750 -8.881 8.142 1.00 4.54 C ATOM 1077 CD2 TYR A 67 4.185 -9.904 6.054 1.00 73.43 C ATOM 1078 CE1 TYR A 67 4.414 -10.052 8.799 1.00 24.10 C ATOM 1079 CE2 TYR A 67 3.841 -11.061 6.711 1.00 73.22 C ATOM 1080 CZ TYR A 67 3.961 -11.133 8.074 1.00 72.21 C ATOM 1081 OH TYR A 67 3.654 -12.308 8.710 1.00 15.45 O ATOM 0 H TYR A 67 7.328 -8.588 5.944 1.00 70.01 H new ATOM 0 HA TYR A 67 5.261 -8.371 3.997 1.00 52.23 H new ATOM 0 HB2 TYR A 67 5.675 -6.885 6.642 1.00 31.22 H new ATOM 0 HB3 TYR A 67 4.173 -6.931 5.741 1.00 31.22 H new ATOM 0 HD1 TYR A 67 5.095 -8.031 8.712 1.00 4.54 H new ATOM 0 HD2 TYR A 67 4.094 -9.861 4.979 1.00 73.43 H new ATOM 0 HE1 TYR A 67 4.506 -10.118 9.873 1.00 24.10 H new ATOM 0 HE2 TYR A 67 3.477 -11.912 6.154 1.00 73.22 H new ATOM 0 HH TYR A 67 3.349 -12.966 8.051 1.00 15.45 H new ATOM 1091 N ILE A 68 7.351 -5.880 4.251 1.00 70.43 N ATOM 1092 CA ILE A 68 7.862 -4.624 3.683 1.00 13.41 C ATOM 1093 C ILE A 68 8.099 -4.792 2.174 1.00 52.54 C ATOM 1094 O ILE A 68 7.491 -4.090 1.373 1.00 11.43 O ATOM 1095 CB ILE A 68 9.184 -4.172 4.444 1.00 24.15 C ATOM 1096 CG1 ILE A 68 8.815 -3.485 5.806 1.00 52.44 C ATOM 1097 CG2 ILE A 68 10.111 -3.282 3.578 1.00 24.43 C ATOM 1098 CD1 ILE A 68 9.991 -3.032 6.656 1.00 60.14 C ATOM 0 H ILE A 68 8.011 -6.323 4.890 1.00 70.43 H new ATOM 0 HA ILE A 68 7.122 -3.835 3.819 1.00 13.41 H new ATOM 0 HB ILE A 68 9.762 -5.072 4.653 1.00 24.15 H new ATOM 0 HG12 ILE A 68 8.187 -2.619 5.597 1.00 52.44 H new ATOM 0 HG13 ILE A 68 8.214 -4.181 6.392 1.00 52.44 H new ATOM 0 HG21 ILE A 68 10.994 -3.008 4.155 1.00 24.43 H new ATOM 0 HG22 ILE A 68 10.415 -3.832 2.687 1.00 24.43 H new ATOM 0 HG23 ILE A 68 9.576 -2.379 3.282 1.00 24.43 H new ATOM 0 HD11 ILE A 68 9.622 -2.572 7.572 1.00 60.14 H new ATOM 0 HD12 ILE A 68 10.612 -3.892 6.907 1.00 60.14 H new ATOM 0 HD13 ILE A 68 10.584 -2.307 6.099 1.00 60.14 H new ATOM 1110 N LYS A 69 8.943 -5.771 1.798 1.00 61.34 N ATOM 1111 CA LYS A 69 9.261 -6.040 0.375 1.00 60.13 C ATOM 1112 C LYS A 69 8.022 -6.570 -0.365 1.00 42.20 C ATOM 1113 O LYS A 69 7.837 -6.306 -1.568 1.00 54.21 O ATOM 1114 CB LYS A 69 10.433 -7.037 0.264 1.00 42.12 C ATOM 1115 CG LYS A 69 11.728 -6.568 0.959 1.00 13.24 C ATOM 1116 CD LYS A 69 12.876 -7.589 0.810 1.00 12.30 C ATOM 1117 CE LYS A 69 14.134 -7.174 1.582 1.00 40.10 C ATOM 1118 NZ LYS A 69 15.236 -8.161 1.433 1.00 2.34 N ATOM 0 H LYS A 69 9.418 -6.390 2.455 1.00 61.34 H new ATOM 0 HA LYS A 69 9.562 -5.104 -0.095 1.00 60.13 H new ATOM 0 HB2 LYS A 69 10.127 -7.990 0.695 1.00 42.12 H new ATOM 0 HB3 LYS A 69 10.644 -7.217 -0.790 1.00 42.12 H new ATOM 0 HG2 LYS A 69 12.038 -5.612 0.537 1.00 13.24 H new ATOM 0 HG3 LYS A 69 11.529 -6.400 2.017 1.00 13.24 H new ATOM 0 HD2 LYS A 69 12.540 -8.563 1.166 1.00 12.30 H new ATOM 0 HD3 LYS A 69 13.122 -7.703 -0.246 1.00 12.30 H new ATOM 0 HE2 LYS A 69 14.471 -6.200 1.228 1.00 40.10 H new ATOM 0 HE3 LYS A 69 13.889 -7.062 2.638 1.00 40.10 H new ATOM 0 HZ1 LYS A 69 16.065 -7.839 1.971 1.00 2.34 H new ATOM 0 HZ2 LYS A 69 14.926 -9.085 1.795 1.00 2.34 H new ATOM 0 HZ3 LYS A 69 15.489 -8.250 0.428 1.00 2.34 H new ATOM 1132 N GLN A 70 7.165 -7.288 0.389 1.00 2.15 N ATOM 1133 CA GLN A 70 5.890 -7.814 -0.116 1.00 52.03 C ATOM 1134 C GLN A 70 4.997 -6.665 -0.590 1.00 35.51 C ATOM 1135 O GLN A 70 4.608 -6.611 -1.760 1.00 12.32 O ATOM 1136 CB GLN A 70 5.157 -8.613 0.990 1.00 43.25 C ATOM 1137 CG GLN A 70 3.849 -9.301 0.556 1.00 71.42 C ATOM 1138 CD GLN A 70 4.062 -10.473 -0.396 1.00 5.03 C ATOM 1139 OE1 GLN A 70 4.089 -10.305 -1.616 1.00 30.32 O ATOM 1140 NE2 GLN A 70 4.194 -11.672 0.155 1.00 42.34 N ATOM 0 H GLN A 70 7.342 -7.517 1.367 1.00 2.15 H new ATOM 0 HA GLN A 70 6.101 -8.478 -0.954 1.00 52.03 H new ATOM 0 HB2 GLN A 70 5.836 -9.373 1.375 1.00 43.25 H new ATOM 0 HB3 GLN A 70 4.935 -7.937 1.815 1.00 43.25 H new ATOM 0 HG2 GLN A 70 3.323 -9.655 1.443 1.00 71.42 H new ATOM 0 HG3 GLN A 70 3.204 -8.566 0.075 1.00 71.42 H new ATOM 0 HE21 GLN A 70 4.167 -11.773 1.170 1.00 42.34 H new ATOM 0 HE22 GLN A 70 4.323 -12.493 -0.436 1.00 42.34 H new ATOM 1149 N THR A 71 4.726 -5.723 0.336 1.00 42.13 N ATOM 1150 CA THR A 71 3.799 -4.622 0.080 1.00 45.11 C ATOM 1151 C THR A 71 4.365 -3.639 -0.945 1.00 1.23 C ATOM 1152 O THR A 71 3.615 -3.123 -1.748 1.00 51.11 O ATOM 1153 CB THR A 71 3.369 -3.867 1.379 1.00 34.41 C ATOM 1154 OG1 THR A 71 2.250 -3.021 1.079 1.00 51.11 O ATOM 1155 CG2 THR A 71 4.491 -3.017 2.020 1.00 63.44 C ATOM 0 H THR A 71 5.141 -5.710 1.267 1.00 42.13 H new ATOM 0 HA THR A 71 2.901 -5.081 -0.334 1.00 45.11 H new ATOM 0 HB THR A 71 3.111 -4.633 2.110 1.00 34.41 H new ATOM 0 HG1 THR A 71 1.542 -3.552 0.657 1.00 51.11 H new ATOM 0 HG21 THR A 71 4.109 -2.527 2.916 1.00 63.44 H new ATOM 0 HG22 THR A 71 5.328 -3.662 2.288 1.00 63.44 H new ATOM 0 HG23 THR A 71 4.827 -2.263 1.309 1.00 63.44 H new ATOM 1163 N LEU A 72 5.691 -3.416 -0.915 1.00 2.14 N ATOM 1164 CA LEU A 72 6.376 -2.507 -1.856 1.00 74.53 C ATOM 1165 C LEU A 72 6.318 -3.029 -3.298 1.00 13.34 C ATOM 1166 O LEU A 72 6.167 -2.236 -4.227 1.00 63.24 O ATOM 1167 CB LEU A 72 7.854 -2.266 -1.428 1.00 73.31 C ATOM 1168 CG LEU A 72 8.057 -1.388 -0.151 1.00 41.14 C ATOM 1169 CD1 LEU A 72 9.557 -1.233 0.203 1.00 72.41 C ATOM 1170 CD2 LEU A 72 7.382 -0.013 -0.326 1.00 61.13 C ATOM 0 H LEU A 72 6.317 -3.858 -0.242 1.00 2.14 H new ATOM 0 HA LEU A 72 5.845 -1.556 -1.823 1.00 74.53 H new ATOM 0 HB2 LEU A 72 8.326 -3.234 -1.259 1.00 73.31 H new ATOM 0 HB3 LEU A 72 8.381 -1.795 -2.258 1.00 73.31 H new ATOM 0 HG LEU A 72 7.580 -1.900 0.685 1.00 41.14 H new ATOM 0 HD11 LEU A 72 9.658 -0.616 1.096 1.00 72.41 H new ATOM 0 HD12 LEU A 72 9.990 -2.216 0.389 1.00 72.41 H new ATOM 0 HD13 LEU A 72 10.080 -0.758 -0.627 1.00 72.41 H new ATOM 0 HD21 LEU A 72 7.534 0.584 0.573 1.00 61.13 H new ATOM 0 HD22 LEU A 72 7.820 0.501 -1.181 1.00 61.13 H new ATOM 0 HD23 LEU A 72 6.314 -0.151 -0.494 1.00 61.13 H new ATOM 1182 N ASP A 73 6.452 -4.362 -3.479 1.00 10.34 N ATOM 1183 CA ASP A 73 6.380 -4.982 -4.827 1.00 62.52 C ATOM 1184 C ASP A 73 4.924 -5.029 -5.343 1.00 23.11 C ATOM 1185 O ASP A 73 4.666 -4.722 -6.513 1.00 51.32 O ATOM 1186 CB ASP A 73 7.000 -6.399 -4.845 1.00 63.41 C ATOM 1187 CG ASP A 73 6.979 -7.015 -6.260 1.00 52.31 C ATOM 1188 OD1 ASP A 73 7.754 -6.557 -7.122 1.00 52.03 O ATOM 1189 OD2 ASP A 73 6.185 -7.941 -6.523 1.00 72.14 O ATOM 0 H ASP A 73 6.609 -5.025 -2.720 1.00 10.34 H new ATOM 0 HA ASP A 73 6.967 -4.352 -5.496 1.00 62.52 H new ATOM 0 HB2 ASP A 73 8.028 -6.351 -4.485 1.00 63.41 H new ATOM 0 HB3 ASP A 73 6.452 -7.045 -4.159 1.00 63.41 H new ATOM 1194 N ASN A 74 3.990 -5.392 -4.446 1.00 15.24 N ATOM 1195 CA ASN A 74 2.536 -5.407 -4.739 1.00 72.32 C ATOM 1196 C ASN A 74 2.047 -3.998 -5.126 1.00 10.43 C ATOM 1197 O ASN A 74 1.270 -3.828 -6.069 1.00 61.31 O ATOM 1198 CB ASN A 74 1.737 -5.900 -3.504 1.00 11.14 C ATOM 1199 CG ASN A 74 1.899 -7.383 -3.176 1.00 51.01 C ATOM 1200 OD1 ASN A 74 2.061 -8.213 -4.067 1.00 2.15 O ATOM 1201 ND2 ASN A 74 1.816 -7.730 -1.891 1.00 53.05 N ATOM 0 H ASN A 74 4.217 -5.684 -3.495 1.00 15.24 H new ATOM 0 HA ASN A 74 2.370 -6.089 -5.573 1.00 72.32 H new ATOM 0 HB2 ASN A 74 2.044 -5.316 -2.636 1.00 11.14 H new ATOM 0 HB3 ASN A 74 0.679 -5.694 -3.669 1.00 11.14 H new ATOM 0 HD21 ASN A 74 1.887 -8.711 -1.622 1.00 53.05 H new ATOM 0 HD22 ASN A 74 1.681 -7.014 -1.177 1.00 53.05 H new ATOM 1208 N GLU A 75 2.543 -3.005 -4.377 1.00 61.12 N ATOM 1209 CA GLU A 75 2.199 -1.591 -4.551 1.00 31.53 C ATOM 1210 C GLU A 75 2.912 -1.010 -5.781 1.00 50.24 C ATOM 1211 O GLU A 75 2.389 -0.111 -6.414 1.00 13.40 O ATOM 1212 CB GLU A 75 2.573 -0.800 -3.278 1.00 72.43 C ATOM 1213 CG GLU A 75 2.103 0.650 -3.274 1.00 30.21 C ATOM 1214 CD GLU A 75 2.663 1.461 -2.106 1.00 50.42 C ATOM 1215 OE1 GLU A 75 1.926 1.693 -1.123 1.00 54.44 O ATOM 1216 OE2 GLU A 75 3.845 1.879 -2.188 1.00 24.23 O ATOM 0 H GLU A 75 3.207 -3.166 -3.620 1.00 61.12 H new ATOM 0 HA GLU A 75 1.124 -1.506 -4.713 1.00 31.53 H new ATOM 0 HB2 GLU A 75 2.149 -1.308 -2.412 1.00 72.43 H new ATOM 0 HB3 GLU A 75 3.656 -0.818 -3.160 1.00 72.43 H new ATOM 0 HG2 GLU A 75 2.397 1.123 -4.211 1.00 30.21 H new ATOM 0 HG3 GLU A 75 1.014 0.672 -3.234 1.00 30.21 H new ATOM 1223 N GLN A 76 4.108 -1.536 -6.102 1.00 44.11 N ATOM 1224 CA GLN A 76 4.856 -1.164 -7.333 1.00 21.22 C ATOM 1225 C GLN A 76 4.033 -1.547 -8.569 1.00 13.32 C ATOM 1226 O GLN A 76 3.847 -0.749 -9.494 1.00 32.44 O ATOM 1227 CB GLN A 76 6.233 -1.884 -7.372 1.00 42.34 C ATOM 1228 CG GLN A 76 7.041 -1.673 -8.671 1.00 51.42 C ATOM 1229 CD GLN A 76 8.286 -2.561 -8.796 1.00 62.30 C ATOM 1230 OE1 GLN A 76 9.280 -2.161 -9.399 1.00 44.31 O ATOM 1231 NE2 GLN A 76 8.233 -3.784 -8.265 1.00 71.23 N ATOM 0 H GLN A 76 4.587 -2.227 -5.524 1.00 44.11 H new ATOM 0 HA GLN A 76 5.028 -0.088 -7.329 1.00 21.22 H new ATOM 0 HB2 GLN A 76 6.831 -1.538 -6.529 1.00 42.34 H new ATOM 0 HB3 GLN A 76 6.072 -2.953 -7.231 1.00 42.34 H new ATOM 0 HG2 GLN A 76 6.389 -1.861 -9.524 1.00 51.42 H new ATOM 0 HG3 GLN A 76 7.348 -0.629 -8.728 1.00 51.42 H new ATOM 0 HE21 GLN A 76 7.395 -4.089 -7.770 1.00 71.23 H new ATOM 0 HE22 GLN A 76 9.030 -4.414 -8.354 1.00 71.23 H new ATOM 1240 N LEU A 77 3.525 -2.784 -8.531 1.00 21.42 N ATOM 1241 CA LEU A 77 2.675 -3.349 -9.582 1.00 1.32 C ATOM 1242 C LEU A 77 1.310 -2.634 -9.638 1.00 3.54 C ATOM 1243 O LEU A 77 0.756 -2.461 -10.721 1.00 62.22 O ATOM 1244 CB LEU A 77 2.525 -4.873 -9.349 1.00 4.13 C ATOM 1245 CG LEU A 77 3.786 -5.743 -9.663 1.00 44.11 C ATOM 1246 CD1 LEU A 77 3.625 -7.188 -9.132 1.00 33.03 C ATOM 1247 CD2 LEU A 77 4.075 -5.741 -11.182 1.00 42.33 C ATOM 0 H LEU A 77 3.696 -3.428 -7.759 1.00 21.42 H new ATOM 0 HA LEU A 77 3.144 -3.192 -10.553 1.00 1.32 H new ATOM 0 HB2 LEU A 77 2.246 -5.035 -8.308 1.00 4.13 H new ATOM 0 HB3 LEU A 77 1.698 -5.234 -9.960 1.00 4.13 H new ATOM 0 HG LEU A 77 4.638 -5.300 -9.147 1.00 44.11 H new ATOM 0 HD11 LEU A 77 4.520 -7.764 -9.368 1.00 33.03 H new ATOM 0 HD12 LEU A 77 3.483 -7.165 -8.052 1.00 33.03 H new ATOM 0 HD13 LEU A 77 2.759 -7.654 -9.602 1.00 33.03 H new ATOM 0 HD21 LEU A 77 4.955 -6.351 -11.386 1.00 42.33 H new ATOM 0 HD22 LEU A 77 3.218 -6.151 -11.716 1.00 42.33 H new ATOM 0 HD23 LEU A 77 4.256 -4.719 -11.517 1.00 42.33 H new ATOM 1259 N LEU A 78 0.799 -2.211 -8.460 1.00 12.23 N ATOM 1260 CA LEU A 78 -0.407 -1.353 -8.352 1.00 50.03 C ATOM 1261 C LEU A 78 -0.176 -0.016 -9.071 1.00 42.44 C ATOM 1262 O LEU A 78 -0.882 0.305 -10.001 1.00 15.04 O ATOM 1263 CB LEU A 78 -0.801 -1.112 -6.853 1.00 72.12 C ATOM 1264 CG LEU A 78 -1.722 -2.191 -6.207 1.00 11.54 C ATOM 1265 CD1 LEU A 78 -1.796 -2.033 -4.669 1.00 32.11 C ATOM 1266 CD2 LEU A 78 -3.129 -2.125 -6.842 1.00 43.03 C ATOM 0 H LEU A 78 1.209 -2.453 -7.558 1.00 12.23 H new ATOM 0 HA LEU A 78 -1.235 -1.872 -8.834 1.00 50.03 H new ATOM 0 HB2 LEU A 78 0.114 -1.044 -6.264 1.00 72.12 H new ATOM 0 HB3 LEU A 78 -1.300 -0.146 -6.780 1.00 72.12 H new ATOM 0 HG LEU A 78 -1.291 -3.173 -6.404 1.00 11.54 H new ATOM 0 HD11 LEU A 78 -2.447 -2.803 -4.255 1.00 32.11 H new ATOM 0 HD12 LEU A 78 -0.797 -2.135 -4.244 1.00 32.11 H new ATOM 0 HD13 LEU A 78 -2.196 -1.049 -4.423 1.00 32.11 H new ATOM 0 HD21 LEU A 78 -3.769 -2.881 -6.387 1.00 43.03 H new ATOM 0 HD22 LEU A 78 -3.558 -1.137 -6.674 1.00 43.03 H new ATOM 0 HD23 LEU A 78 -3.054 -2.310 -7.914 1.00 43.03 H new ATOM 1278 N LYS A 79 0.866 0.714 -8.652 1.00 2.30 N ATOM 1279 CA LYS A 79 1.199 2.054 -9.176 1.00 72.42 C ATOM 1280 C LYS A 79 1.475 2.034 -10.682 1.00 4.40 C ATOM 1281 O LYS A 79 1.054 2.943 -11.381 1.00 40.41 O ATOM 1282 CB LYS A 79 2.396 2.662 -8.392 1.00 1.00 C ATOM 1283 CG LYS A 79 2.024 3.139 -6.975 1.00 25.32 C ATOM 1284 CD LYS A 79 3.235 3.619 -6.140 1.00 3.42 C ATOM 1285 CE LYS A 79 4.173 2.474 -5.730 1.00 0.14 C ATOM 1286 NZ LYS A 79 5.093 2.874 -4.636 1.00 1.44 N ATOM 0 H LYS A 79 1.512 0.391 -7.931 1.00 2.30 H new ATOM 0 HA LYS A 79 0.327 2.691 -9.026 1.00 72.42 H new ATOM 0 HB2 LYS A 79 3.189 1.917 -8.320 1.00 1.00 H new ATOM 0 HB3 LYS A 79 2.800 3.503 -8.956 1.00 1.00 H new ATOM 0 HG2 LYS A 79 1.303 3.953 -7.053 1.00 25.32 H new ATOM 0 HG3 LYS A 79 1.529 2.325 -6.446 1.00 25.32 H new ATOM 0 HD2 LYS A 79 3.798 4.354 -6.716 1.00 3.42 H new ATOM 0 HD3 LYS A 79 2.874 4.124 -5.244 1.00 3.42 H new ATOM 0 HE2 LYS A 79 3.581 1.617 -5.410 1.00 0.14 H new ATOM 0 HE3 LYS A 79 4.755 2.155 -6.595 1.00 0.14 H new ATOM 0 HZ1 LYS A 79 5.901 2.220 -4.605 1.00 1.44 H new ATOM 0 HZ2 LYS A 79 5.437 3.840 -4.808 1.00 1.44 H new ATOM 0 HZ3 LYS A 79 4.587 2.843 -3.728 1.00 1.44 H new ATOM 1300 N GLY A 80 2.151 0.976 -11.164 1.00 44.14 N ATOM 1301 CA GLY A 80 2.442 0.826 -12.596 1.00 40.32 C ATOM 1302 C GLY A 80 1.193 0.541 -13.426 1.00 13.24 C ATOM 1303 O GLY A 80 0.956 1.179 -14.470 1.00 70.30 O ATOM 0 H GLY A 80 2.504 0.216 -10.583 1.00 44.14 H new ATOM 0 HA2 GLY A 80 2.917 1.736 -12.963 1.00 40.32 H new ATOM 0 HA3 GLY A 80 3.157 0.015 -12.734 1.00 40.32 H new ATOM 1307 N LEU A 81 0.383 -0.413 -12.923 1.00 33.14 N ATOM 1308 CA LEU A 81 -0.888 -0.822 -13.541 1.00 22.25 C ATOM 1309 C LEU A 81 -1.825 0.390 -13.627 1.00 25.01 C ATOM 1310 O LEU A 81 -2.202 0.806 -14.708 1.00 22.05 O ATOM 1311 CB LEU A 81 -1.494 -1.991 -12.703 1.00 43.51 C ATOM 1312 CG LEU A 81 -2.789 -2.719 -13.219 1.00 74.11 C ATOM 1313 CD1 LEU A 81 -2.892 -4.135 -12.602 1.00 11.04 C ATOM 1314 CD2 LEU A 81 -4.078 -1.926 -12.898 1.00 34.51 C ATOM 0 H LEU A 81 0.598 -0.924 -12.067 1.00 33.14 H new ATOM 0 HA LEU A 81 -0.735 -1.182 -14.558 1.00 22.25 H new ATOM 0 HB2 LEU A 81 -0.718 -2.747 -12.587 1.00 43.51 H new ATOM 0 HB3 LEU A 81 -1.711 -1.602 -11.708 1.00 43.51 H new ATOM 0 HG LEU A 81 -2.700 -2.790 -14.303 1.00 74.11 H new ATOM 0 HD11 LEU A 81 -3.793 -4.627 -12.968 1.00 11.04 H new ATOM 0 HD12 LEU A 81 -2.018 -4.720 -12.887 1.00 11.04 H new ATOM 0 HD13 LEU A 81 -2.938 -4.056 -11.516 1.00 11.04 H new ATOM 0 HD21 LEU A 81 -4.944 -2.471 -13.275 1.00 34.51 H new ATOM 0 HD22 LEU A 81 -4.169 -1.801 -11.819 1.00 34.51 H new ATOM 0 HD23 LEU A 81 -4.030 -0.946 -13.374 1.00 34.51 H new ATOM 1326 N LEU A 82 -2.121 0.973 -12.464 1.00 41.25 N ATOM 1327 CA LEU A 82 -3.041 2.110 -12.308 1.00 1.34 C ATOM 1328 C LEU A 82 -2.537 3.365 -13.044 1.00 72.44 C ATOM 1329 O LEU A 82 -3.346 4.159 -13.496 1.00 53.24 O ATOM 1330 CB LEU A 82 -3.240 2.392 -10.803 1.00 12.22 C ATOM 1331 CG LEU A 82 -3.949 1.260 -9.987 1.00 31.33 C ATOM 1332 CD1 LEU A 82 -3.671 1.403 -8.483 1.00 21.13 C ATOM 1333 CD2 LEU A 82 -5.462 1.251 -10.248 1.00 13.15 C ATOM 0 H LEU A 82 -1.719 0.662 -11.580 1.00 41.25 H new ATOM 0 HA LEU A 82 -3.997 1.849 -12.761 1.00 1.34 H new ATOM 0 HB2 LEU A 82 -2.264 2.580 -10.355 1.00 12.22 H new ATOM 0 HB3 LEU A 82 -3.821 3.308 -10.698 1.00 12.22 H new ATOM 0 HG LEU A 82 -3.537 0.309 -10.325 1.00 31.33 H new ATOM 0 HD11 LEU A 82 -4.176 0.603 -7.942 1.00 21.13 H new ATOM 0 HD12 LEU A 82 -2.598 1.341 -8.304 1.00 21.13 H new ATOM 0 HD13 LEU A 82 -4.042 2.367 -8.135 1.00 21.13 H new ATOM 0 HD21 LEU A 82 -5.927 0.454 -9.667 1.00 13.15 H new ATOM 0 HD22 LEU A 82 -5.888 2.210 -9.953 1.00 13.15 H new ATOM 0 HD23 LEU A 82 -5.647 1.082 -11.309 1.00 13.15 H new ATOM 1345 N GLN A 83 -1.203 3.536 -13.158 1.00 5.34 N ATOM 1346 CA GLN A 83 -0.610 4.634 -13.962 1.00 73.11 C ATOM 1347 C GLN A 83 -1.017 4.472 -15.436 1.00 72.42 C ATOM 1348 O GLN A 83 -1.562 5.404 -16.045 1.00 65.22 O ATOM 1349 CB GLN A 83 0.940 4.647 -13.840 1.00 65.03 C ATOM 1350 CG GLN A 83 1.654 5.767 -14.621 1.00 11.53 C ATOM 1351 CD GLN A 83 1.271 7.180 -14.173 1.00 61.33 C ATOM 1352 OE1 GLN A 83 1.876 7.737 -13.255 1.00 53.01 O ATOM 1353 NE2 GLN A 83 0.287 7.781 -14.830 1.00 24.40 N ATOM 0 H GLN A 83 -0.516 2.932 -12.707 1.00 5.34 H new ATOM 0 HA GLN A 83 -0.987 5.582 -13.578 1.00 73.11 H new ATOM 0 HB2 GLN A 83 1.204 4.737 -12.786 1.00 65.03 H new ATOM 0 HB3 GLN A 83 1.323 3.686 -14.184 1.00 65.03 H new ATOM 0 HG2 GLN A 83 2.731 5.642 -14.512 1.00 11.53 H new ATOM 0 HG3 GLN A 83 1.426 5.659 -15.681 1.00 11.53 H new ATOM 0 HE21 GLN A 83 -0.194 7.293 -15.585 1.00 24.40 H new ATOM 0 HE22 GLN A 83 0.012 8.731 -14.580 1.00 24.40 H new ATOM 1362 N GLN A 84 -0.790 3.252 -15.966 1.00 50.30 N ATOM 1363 CA GLN A 84 -1.129 2.907 -17.363 1.00 54.31 C ATOM 1364 C GLN A 84 -2.646 2.971 -17.598 1.00 25.41 C ATOM 1365 O GLN A 84 -3.095 3.517 -18.594 1.00 72.23 O ATOM 1366 CB GLN A 84 -0.604 1.496 -17.723 1.00 60.41 C ATOM 1367 CG GLN A 84 -0.885 1.066 -19.183 1.00 42.34 C ATOM 1368 CD GLN A 84 -0.421 -0.350 -19.533 1.00 62.43 C ATOM 1369 OE1 GLN A 84 -0.041 -0.622 -20.670 1.00 41.04 O ATOM 1370 NE2 GLN A 84 -0.473 -1.274 -18.572 1.00 53.23 N ATOM 0 H GLN A 84 -0.370 2.484 -15.443 1.00 50.30 H new ATOM 0 HA GLN A 84 -0.646 3.641 -18.008 1.00 54.31 H new ATOM 0 HB2 GLN A 84 0.471 1.466 -17.548 1.00 60.41 H new ATOM 0 HB3 GLN A 84 -1.057 0.769 -17.049 1.00 60.41 H new ATOM 0 HG2 GLN A 84 -1.957 1.139 -19.369 1.00 42.34 H new ATOM 0 HG3 GLN A 84 -0.396 1.771 -19.856 1.00 42.34 H new ATOM 0 HE21 GLN A 84 -0.792 -1.020 -17.637 1.00 53.23 H new ATOM 0 HE22 GLN A 84 -0.193 -2.234 -18.772 1.00 53.23 H new ATOM 1379 N ARG A 85 -3.418 2.440 -16.642 1.00 24.52 N ATOM 1380 CA ARG A 85 -4.882 2.300 -16.772 1.00 2.41 C ATOM 1381 C ARG A 85 -5.570 3.671 -16.706 1.00 21.44 C ATOM 1382 O ARG A 85 -6.440 3.944 -17.514 1.00 41.11 O ATOM 1383 CB ARG A 85 -5.450 1.311 -15.699 1.00 73.54 C ATOM 1384 CG ARG A 85 -5.487 -0.186 -16.132 1.00 20.02 C ATOM 1385 CD ARG A 85 -4.131 -0.713 -16.639 1.00 0.15 C ATOM 1386 NE ARG A 85 -4.164 -2.133 -17.047 1.00 44.13 N ATOM 1387 CZ ARG A 85 -3.826 -2.604 -18.255 1.00 70.33 C ATOM 1388 NH1 ARG A 85 -3.418 -1.789 -19.221 1.00 43.11 N ATOM 1389 NH2 ARG A 85 -3.869 -3.905 -18.472 1.00 22.31 N ATOM 0 H ARG A 85 -3.050 2.094 -15.756 1.00 24.52 H new ATOM 0 HA ARG A 85 -5.099 1.873 -17.751 1.00 2.41 H new ATOM 0 HB2 ARG A 85 -4.848 1.396 -14.794 1.00 73.54 H new ATOM 0 HB3 ARG A 85 -6.462 1.623 -15.440 1.00 73.54 H new ATOM 0 HG2 ARG A 85 -5.810 -0.793 -15.286 1.00 20.02 H new ATOM 0 HG3 ARG A 85 -6.233 -0.311 -16.917 1.00 20.02 H new ATOM 0 HD2 ARG A 85 -3.809 -0.107 -17.486 1.00 0.15 H new ATOM 0 HD3 ARG A 85 -3.385 -0.586 -15.855 1.00 0.15 H new ATOM 0 HE ARG A 85 -4.470 -2.812 -16.350 1.00 44.13 H new ATOM 0 HH11 ARG A 85 -3.358 -0.785 -19.050 1.00 43.11 H new ATOM 0 HH12 ARG A 85 -3.165 -2.167 -20.134 1.00 43.11 H new ATOM 0 HH21 ARG A 85 -4.157 -4.537 -17.725 1.00 22.31 H new ATOM 0 HH22 ARG A 85 -3.615 -4.278 -19.387 1.00 22.31 H new ATOM 1403 N LEU A 86 -5.147 4.532 -15.761 1.00 2.14 N ATOM 1404 CA LEU A 86 -5.666 5.920 -15.655 1.00 42.31 C ATOM 1405 C LEU A 86 -5.229 6.762 -16.867 1.00 41.41 C ATOM 1406 O LEU A 86 -5.949 7.652 -17.280 1.00 72.34 O ATOM 1407 CB LEU A 86 -5.202 6.593 -14.338 1.00 33.02 C ATOM 1408 CG LEU A 86 -5.833 6.029 -13.023 1.00 22.42 C ATOM 1409 CD1 LEU A 86 -5.123 6.606 -11.777 1.00 3.52 C ATOM 1410 CD2 LEU A 86 -7.361 6.286 -12.974 1.00 24.44 C ATOM 0 H LEU A 86 -4.447 4.296 -15.057 1.00 2.14 H new ATOM 0 HA LEU A 86 -6.755 5.865 -15.644 1.00 42.31 H new ATOM 0 HB2 LEU A 86 -4.118 6.499 -14.267 1.00 33.02 H new ATOM 0 HB3 LEU A 86 -5.427 7.658 -14.398 1.00 33.02 H new ATOM 0 HG LEU A 86 -5.686 4.949 -13.019 1.00 22.42 H new ATOM 0 HD11 LEU A 86 -5.581 6.198 -10.876 1.00 3.52 H new ATOM 0 HD12 LEU A 86 -4.067 6.336 -11.802 1.00 3.52 H new ATOM 0 HD13 LEU A 86 -5.220 7.692 -11.773 1.00 3.52 H new ATOM 0 HD21 LEU A 86 -7.768 5.882 -12.047 1.00 24.44 H new ATOM 0 HD22 LEU A 86 -7.551 7.358 -13.016 1.00 24.44 H new ATOM 0 HD23 LEU A 86 -7.839 5.799 -13.824 1.00 24.44 H new ATOM 1422 N ASP A 87 -4.032 6.456 -17.412 1.00 13.12 N ATOM 1423 CA ASP A 87 -3.509 7.084 -18.655 1.00 13.14 C ATOM 1424 C ASP A 87 -4.471 6.807 -19.838 1.00 31.33 C ATOM 1425 O ASP A 87 -4.937 7.737 -20.524 1.00 72.33 O ATOM 1426 CB ASP A 87 -2.072 6.543 -18.947 1.00 62.42 C ATOM 1427 CG ASP A 87 -1.442 7.027 -20.268 1.00 65.44 C ATOM 1428 OD1 ASP A 87 -1.709 6.422 -21.325 1.00 41.33 O ATOM 1429 OD2 ASP A 87 -0.645 7.992 -20.256 1.00 50.12 O ATOM 0 H ASP A 87 -3.398 5.768 -17.007 1.00 13.12 H new ATOM 0 HA ASP A 87 -3.449 8.164 -18.524 1.00 13.14 H new ATOM 0 HB2 ASP A 87 -1.418 6.833 -18.124 1.00 62.42 H new ATOM 0 HB3 ASP A 87 -2.107 5.454 -18.958 1.00 62.42 H new ATOM 1434 N GLU A 88 -4.797 5.513 -20.008 1.00 71.21 N ATOM 1435 CA GLU A 88 -5.696 5.012 -21.055 1.00 32.42 C ATOM 1436 C GLU A 88 -7.107 5.612 -20.883 1.00 44.45 C ATOM 1437 O GLU A 88 -7.623 6.238 -21.802 1.00 72.22 O ATOM 1438 CB GLU A 88 -5.726 3.459 -21.007 1.00 73.34 C ATOM 1439 CG GLU A 88 -4.362 2.794 -21.319 1.00 15.01 C ATOM 1440 CD GLU A 88 -4.335 1.275 -21.062 1.00 63.53 C ATOM 1441 OE1 GLU A 88 -4.301 0.484 -22.033 1.00 63.13 O ATOM 1442 OE2 GLU A 88 -4.356 0.862 -19.882 1.00 31.11 O ATOM 0 H GLU A 88 -4.433 4.773 -19.407 1.00 71.21 H new ATOM 0 HA GLU A 88 -5.328 5.320 -22.034 1.00 32.42 H new ATOM 0 HB2 GLU A 88 -6.055 3.142 -20.017 1.00 73.34 H new ATOM 0 HB3 GLU A 88 -6.467 3.098 -21.720 1.00 73.34 H new ATOM 0 HG2 GLU A 88 -4.108 2.981 -22.362 1.00 15.01 H new ATOM 0 HG3 GLU A 88 -3.590 3.269 -20.713 1.00 15.01 H new ATOM 1449 N LEU A 89 -7.663 5.466 -19.663 1.00 53.31 N ATOM 1450 CA LEU A 89 -9.002 5.969 -19.283 1.00 51.04 C ATOM 1451 C LEU A 89 -9.130 7.489 -19.501 1.00 22.10 C ATOM 1452 O LEU A 89 -10.128 7.939 -20.049 1.00 41.30 O ATOM 1453 CB LEU A 89 -9.323 5.588 -17.804 1.00 30.14 C ATOM 1454 CG LEU A 89 -9.520 4.060 -17.517 1.00 42.31 C ATOM 1455 CD1 LEU A 89 -9.609 3.782 -15.996 1.00 13.30 C ATOM 1456 CD2 LEU A 89 -10.760 3.515 -18.260 1.00 61.44 C ATOM 0 H LEU A 89 -7.186 4.987 -18.899 1.00 53.31 H new ATOM 0 HA LEU A 89 -9.733 5.491 -19.935 1.00 51.04 H new ATOM 0 HB2 LEU A 89 -8.515 5.955 -17.171 1.00 30.14 H new ATOM 0 HB3 LEU A 89 -10.229 6.114 -17.502 1.00 30.14 H new ATOM 0 HG LEU A 89 -8.645 3.532 -17.896 1.00 42.31 H new ATOM 0 HD11 LEU A 89 -9.746 2.714 -15.829 1.00 13.30 H new ATOM 0 HD12 LEU A 89 -8.689 4.110 -15.512 1.00 13.30 H new ATOM 0 HD13 LEU A 89 -10.455 4.326 -15.576 1.00 13.30 H new ATOM 0 HD21 LEU A 89 -10.875 2.453 -18.045 1.00 61.44 H new ATOM 0 HD22 LEU A 89 -11.649 4.051 -17.927 1.00 61.44 H new ATOM 0 HD23 LEU A 89 -10.632 3.656 -19.333 1.00 61.44 H new ATOM 1468 N SER A 90 -8.093 8.263 -19.122 1.00 32.41 N ATOM 1469 CA SER A 90 -8.084 9.736 -19.323 1.00 72.10 C ATOM 1470 C SER A 90 -8.041 10.097 -20.817 1.00 40.52 C ATOM 1471 O SER A 90 -8.663 11.077 -21.239 1.00 41.35 O ATOM 1472 CB SER A 90 -6.915 10.400 -18.569 1.00 34.43 C ATOM 1473 OG SER A 90 -7.052 10.221 -17.166 1.00 22.42 O ATOM 0 H SER A 90 -7.251 7.899 -18.676 1.00 32.41 H new ATOM 0 HA SER A 90 -9.015 10.124 -18.909 1.00 72.10 H new ATOM 0 HB2 SER A 90 -5.970 9.972 -18.904 1.00 34.43 H new ATOM 0 HB3 SER A 90 -6.883 11.464 -18.803 1.00 34.43 H new ATOM 0 HG SER A 90 -6.717 9.335 -16.915 1.00 22.42 H new ATOM 1819 N MET A1001 -13.356 7.748 -9.686 1.00 30.54 N ATOM 1820 CA MET A1001 -12.270 6.893 -10.217 1.00 23.13 C ATOM 1821 C MET A1001 -10.921 7.632 -10.194 1.00 20.11 C ATOM 1822 O MET A1001 -9.976 7.219 -9.505 1.00 45.44 O ATOM 1823 CB MET A1001 -12.599 6.484 -11.678 1.00 40.43 C ATOM 1824 CG MET A1001 -11.545 5.609 -12.380 1.00 33.30 C ATOM 1825 SD MET A1001 -11.710 5.644 -14.182 1.00 1.41 S ATOM 1826 CE MET A1001 -13.388 5.066 -14.433 1.00 63.12 C ATOM 0 HA MET A1001 -12.194 6.008 -9.585 1.00 23.13 H new ATOM 0 HB2 MET A1001 -13.549 5.949 -11.681 1.00 40.43 H new ATOM 0 HB3 MET A1001 -12.742 7.391 -12.266 1.00 40.43 H new ATOM 0 HG2 MET A1001 -10.548 5.952 -12.102 1.00 33.30 H new ATOM 0 HG3 MET A1001 -11.638 4.581 -12.029 1.00 33.30 H new ATOM 0 HE1 MET A1001 -13.574 4.941 -15.500 1.00 63.12 H new ATOM 0 HE2 MET A1001 -13.523 4.110 -13.927 1.00 63.12 H new ATOM 0 HE3 MET A1001 -14.089 5.795 -14.025 1.00 63.12 H new ATOM 1836 N THR A1002 -10.878 8.769 -10.906 1.00 2.03 N ATOM 1837 CA THR A1002 -9.642 9.512 -11.115 1.00 1.34 C ATOM 1838 C THR A1002 -9.168 10.174 -9.815 1.00 14.33 C ATOM 1839 O THR A1002 -8.049 9.907 -9.393 1.00 4.35 O ATOM 1840 CB THR A1002 -9.782 10.565 -12.250 1.00 60.42 C ATOM 1841 OG1 THR A1002 -10.843 11.482 -11.940 1.00 71.21 O ATOM 1842 CG2 THR A1002 -10.040 9.898 -13.617 1.00 4.35 C ATOM 0 H THR A1002 -11.696 9.190 -11.347 1.00 2.03 H new ATOM 0 HA THR A1002 -8.886 8.792 -11.428 1.00 1.34 H new ATOM 0 HB THR A1002 -8.840 11.109 -12.319 1.00 60.42 H new ATOM 0 HG1 THR A1002 -10.924 12.143 -12.659 1.00 71.21 H new ATOM 0 HG21 THR A1002 -10.132 10.666 -14.385 1.00 4.35 H new ATOM 0 HG22 THR A1002 -9.208 9.238 -13.862 1.00 4.35 H new ATOM 0 HG23 THR A1002 -10.962 9.319 -13.571 1.00 4.35 H new ATOM 1850 N THR A1003 -10.045 10.983 -9.150 1.00 73.41 N ATOM 1851 CA THR A1003 -9.641 11.757 -7.944 1.00 44.34 C ATOM 1852 C THR A1003 -9.095 10.824 -6.839 1.00 41.34 C ATOM 1853 O THR A1003 -7.986 11.051 -6.323 1.00 45.14 O ATOM 1854 CB THR A1003 -10.789 12.686 -7.392 1.00 75.21 C ATOM 1855 OG1 THR A1003 -10.277 13.525 -6.340 1.00 4.15 O ATOM 1856 CG2 THR A1003 -12.016 11.919 -6.863 1.00 1.14 C ATOM 0 H THR A1003 -11.019 11.113 -9.425 1.00 73.41 H new ATOM 0 HA THR A1003 -8.837 12.421 -8.261 1.00 44.34 H new ATOM 0 HB THR A1003 -11.127 13.278 -8.242 1.00 75.21 H new ATOM 0 HG1 THR A1003 -10.995 14.101 -6.002 1.00 4.15 H new ATOM 0 HG21 THR A1003 -12.760 12.628 -6.501 1.00 1.14 H new ATOM 0 HG22 THR A1003 -12.445 11.321 -7.667 1.00 1.14 H new ATOM 0 HG23 THR A1003 -11.712 11.265 -6.046 1.00 1.14 H new ATOM 1864 N ARG A1004 -9.822 9.711 -6.584 1.00 3.30 N ATOM 1865 CA ARG A1004 -9.418 8.715 -5.579 1.00 60.43 C ATOM 1866 C ARG A1004 -8.076 8.091 -5.954 1.00 24.21 C ATOM 1867 O ARG A1004 -7.123 8.221 -5.201 1.00 74.54 O ATOM 1868 CB ARG A1004 -10.475 7.597 -5.419 1.00 13.45 C ATOM 1869 CG ARG A1004 -11.755 8.005 -4.672 1.00 2.31 C ATOM 1870 CD ARG A1004 -12.731 6.826 -4.506 1.00 63.31 C ATOM 1871 NE ARG A1004 -13.843 7.134 -3.597 1.00 25.14 N ATOM 1872 CZ ARG A1004 -13.905 6.789 -2.301 1.00 21.31 C ATOM 1873 NH1 ARG A1004 -12.909 6.125 -1.711 1.00 2.52 N ATOM 1874 NH2 ARG A1004 -14.981 7.101 -1.608 1.00 2.35 N ATOM 0 H ARG A1004 -10.693 9.485 -7.065 1.00 3.30 H new ATOM 0 HA ARG A1004 -9.327 9.239 -4.628 1.00 60.43 H new ATOM 0 HB2 ARG A1004 -10.752 7.237 -6.410 1.00 13.45 H new ATOM 0 HB3 ARG A1004 -10.017 6.760 -4.892 1.00 13.45 H new ATOM 0 HG2 ARG A1004 -11.491 8.397 -3.690 1.00 2.31 H new ATOM 0 HG3 ARG A1004 -12.250 8.810 -5.215 1.00 2.31 H new ATOM 0 HD2 ARG A1004 -13.131 6.550 -5.482 1.00 63.31 H new ATOM 0 HD3 ARG A1004 -12.187 5.960 -4.128 1.00 63.31 H new ATOM 0 HE ARG A1004 -14.633 7.652 -3.982 1.00 25.14 H new ATOM 0 HH11 ARG A1004 -12.079 5.869 -2.246 1.00 2.52 H new ATOM 0 HH12 ARG A1004 -12.978 5.873 -0.725 1.00 2.52 H new ATOM 0 HH21 ARG A1004 -15.751 7.597 -2.057 1.00 2.35 H new ATOM 0 HH22 ARG A1004 -15.044 6.846 -0.622 1.00 2.35 H new ATOM 1888 N LEU A1005 -8.012 7.482 -7.161 1.00 21.54 N ATOM 1889 CA LEU A1005 -6.833 6.712 -7.601 1.00 33.43 C ATOM 1890 C LEU A1005 -5.577 7.589 -7.787 1.00 52.44 C ATOM 1891 O LEU A1005 -4.478 7.078 -7.674 1.00 31.55 O ATOM 1892 CB LEU A1005 -7.138 5.886 -8.882 1.00 13.02 C ATOM 1893 CG LEU A1005 -8.053 4.628 -8.700 1.00 32.40 C ATOM 1894 CD1 LEU A1005 -8.312 3.938 -10.062 1.00 75.41 C ATOM 1895 CD2 LEU A1005 -7.440 3.632 -7.679 1.00 72.04 C ATOM 0 H LEU A1005 -8.767 7.511 -7.846 1.00 21.54 H new ATOM 0 HA LEU A1005 -6.607 6.015 -6.794 1.00 33.43 H new ATOM 0 HB2 LEU A1005 -7.607 6.547 -9.611 1.00 13.02 H new ATOM 0 HB3 LEU A1005 -6.191 5.560 -9.311 1.00 13.02 H new ATOM 0 HG LEU A1005 -9.011 4.963 -8.301 1.00 32.40 H new ATOM 0 HD11 LEU A1005 -8.950 3.067 -9.913 1.00 75.41 H new ATOM 0 HD12 LEU A1005 -8.806 4.638 -10.736 1.00 75.41 H new ATOM 0 HD13 LEU A1005 -7.363 3.623 -10.497 1.00 75.41 H new ATOM 0 HD21 LEU A1005 -8.097 2.769 -7.573 1.00 72.04 H new ATOM 0 HD22 LEU A1005 -6.463 3.303 -8.033 1.00 72.04 H new ATOM 0 HD23 LEU A1005 -7.329 4.124 -6.713 1.00 72.04 H new ATOM 1907 N THR A1006 -5.733 8.903 -8.036 1.00 1.44 N ATOM 1908 CA THR A1006 -4.573 9.826 -8.162 1.00 60.12 C ATOM 1909 C THR A1006 -4.029 10.225 -6.772 1.00 14.44 C ATOM 1910 O THR A1006 -2.806 10.210 -6.552 1.00 33.55 O ATOM 1911 CB THR A1006 -4.927 11.097 -8.997 1.00 23.55 C ATOM 1912 OG1 THR A1006 -6.038 11.783 -8.410 1.00 4.32 O ATOM 1913 CG2 THR A1006 -5.261 10.743 -10.457 1.00 2.41 C ATOM 0 H THR A1006 -6.641 9.353 -8.154 1.00 1.44 H new ATOM 0 HA THR A1006 -3.792 9.287 -8.698 1.00 60.12 H new ATOM 0 HB THR A1006 -4.050 11.744 -8.993 1.00 23.55 H new ATOM 0 HG1 THR A1006 -6.867 11.305 -8.623 1.00 4.32 H new ATOM 0 HG21 THR A1006 -5.502 11.653 -11.006 1.00 2.41 H new ATOM 0 HG22 THR A1006 -4.402 10.257 -10.919 1.00 2.41 H new ATOM 0 HG23 THR A1006 -6.116 10.068 -10.481 1.00 2.41 H new ATOM 1921 N ARG A1007 -4.948 10.554 -5.827 1.00 64.12 N ATOM 1922 CA ARG A1007 -4.575 10.824 -4.407 1.00 21.10 C ATOM 1923 C ARG A1007 -3.957 9.558 -3.771 1.00 2.44 C ATOM 1924 O ARG A1007 -3.027 9.626 -2.959 1.00 60.04 O ATOM 1925 CB ARG A1007 -5.810 11.291 -3.599 1.00 2.31 C ATOM 1926 CG ARG A1007 -6.434 12.604 -4.118 1.00 52.22 C ATOM 1927 CD ARG A1007 -7.674 13.037 -3.316 1.00 34.31 C ATOM 1928 NE ARG A1007 -7.333 13.370 -1.915 1.00 21.11 N ATOM 1929 CZ ARG A1007 -7.278 14.607 -1.390 1.00 40.13 C ATOM 1930 NH1 ARG A1007 -7.547 15.681 -2.128 1.00 40.00 N ATOM 1931 NH2 ARG A1007 -6.938 14.754 -0.116 1.00 31.23 N ATOM 0 H ARG A1007 -5.946 10.639 -6.018 1.00 64.12 H new ATOM 0 HA ARG A1007 -3.834 11.623 -4.387 1.00 21.10 H new ATOM 0 HB2 ARG A1007 -6.566 10.506 -3.623 1.00 2.31 H new ATOM 0 HB3 ARG A1007 -5.521 11.424 -2.556 1.00 2.31 H new ATOM 0 HG2 ARG A1007 -5.687 13.396 -4.077 1.00 52.22 H new ATOM 0 HG3 ARG A1007 -6.710 12.480 -5.165 1.00 52.22 H new ATOM 0 HD2 ARG A1007 -8.132 13.903 -3.794 1.00 34.31 H new ATOM 0 HD3 ARG A1007 -8.414 12.236 -3.330 1.00 34.31 H new ATOM 0 HE ARG A1007 -7.121 12.591 -1.291 1.00 21.11 H new ATOM 0 HH11 ARG A1007 -7.800 15.574 -3.110 1.00 40.00 H new ATOM 0 HH12 ARG A1007 -7.500 16.611 -1.711 1.00 40.00 H new ATOM 0 HH21 ARG A1007 -6.722 13.935 0.452 1.00 31.23 H new ATOM 0 HH22 ARG A1007 -6.892 15.686 0.295 1.00 31.23 H new ATOM 1945 N TRP A1008 -4.487 8.420 -4.215 1.00 44.45 N ATOM 1946 CA TRP A1008 -4.026 7.073 -3.880 1.00 64.31 C ATOM 1947 C TRP A1008 -2.585 6.868 -4.382 1.00 12.43 C ATOM 1948 O TRP A1008 -1.706 6.613 -3.575 1.00 71.33 O ATOM 1949 CB TRP A1008 -5.050 6.080 -4.491 1.00 44.12 C ATOM 1950 CG TRP A1008 -4.656 4.637 -4.661 1.00 4.03 C ATOM 1951 CD1 TRP A1008 -4.139 4.066 -5.784 1.00 62.52 C ATOM 1952 CD2 TRP A1008 -4.820 3.577 -3.717 1.00 72.02 C ATOM 1953 NE1 TRP A1008 -3.957 2.731 -5.584 1.00 73.54 N ATOM 1954 CE2 TRP A1008 -4.374 2.401 -4.335 1.00 73.53 C ATOM 1955 CE3 TRP A1008 -5.304 3.508 -2.414 1.00 73.51 C ATOM 1956 CZ2 TRP A1008 -4.402 1.168 -3.710 1.00 51.11 C ATOM 1957 CZ3 TRP A1008 -5.317 2.286 -1.780 1.00 35.13 C ATOM 1958 CH2 TRP A1008 -4.874 1.132 -2.430 1.00 13.32 C ATOM 0 H TRP A1008 -5.287 8.411 -4.848 1.00 44.45 H new ATOM 0 HA TRP A1008 -3.982 6.905 -2.804 1.00 64.31 H new ATOM 0 HB2 TRP A1008 -5.945 6.106 -3.869 1.00 44.12 H new ATOM 0 HB3 TRP A1008 -5.333 6.461 -5.472 1.00 44.12 H new ATOM 0 HD1 TRP A1008 -3.908 4.593 -6.698 1.00 62.52 H new ATOM 0 HE1 TRP A1008 -3.568 2.080 -6.267 1.00 73.54 H new ATOM 0 HE3 TRP A1008 -5.662 4.394 -1.911 1.00 73.51 H new ATOM 0 HZ2 TRP A1008 -4.065 0.273 -4.212 1.00 51.11 H new ATOM 0 HZ3 TRP A1008 -5.676 2.219 -0.763 1.00 35.13 H new ATOM 0 HH2 TRP A1008 -4.906 0.188 -1.907 1.00 13.32 H new ATOM 1969 N LEU A1009 -2.340 7.089 -5.699 1.00 33.21 N ATOM 1970 CA LEU A1009 -1.009 6.863 -6.327 1.00 11.40 C ATOM 1971 C LEU A1009 0.083 7.745 -5.697 1.00 75.20 C ATOM 1972 O LEU A1009 1.215 7.284 -5.515 1.00 54.14 O ATOM 1973 CB LEU A1009 -1.041 7.094 -7.874 1.00 13.32 C ATOM 1974 CG LEU A1009 -1.834 6.048 -8.734 1.00 22.43 C ATOM 1975 CD1 LEU A1009 -1.719 6.345 -10.252 1.00 31.45 C ATOM 1976 CD2 LEU A1009 -1.391 4.613 -8.412 1.00 43.54 C ATOM 0 H LEU A1009 -3.049 7.425 -6.350 1.00 33.21 H new ATOM 0 HA LEU A1009 -0.764 5.818 -6.138 1.00 11.40 H new ATOM 0 HB2 LEU A1009 -1.468 8.079 -8.061 1.00 13.32 H new ATOM 0 HB3 LEU A1009 -0.013 7.119 -8.234 1.00 13.32 H new ATOM 0 HG LEU A1009 -2.886 6.140 -8.466 1.00 22.43 H new ATOM 0 HD11 LEU A1009 -2.282 5.598 -10.812 1.00 31.45 H new ATOM 0 HD12 LEU A1009 -2.123 7.336 -10.461 1.00 31.45 H new ATOM 0 HD13 LEU A1009 -0.671 6.310 -10.551 1.00 31.45 H new ATOM 0 HD21 LEU A1009 -1.958 3.911 -9.023 1.00 43.54 H new ATOM 0 HD22 LEU A1009 -0.328 4.504 -8.626 1.00 43.54 H new ATOM 0 HD23 LEU A1009 -1.572 4.404 -7.358 1.00 43.54 H new ATOM 1988 N THR A1010 -0.252 9.010 -5.355 1.00 41.01 N ATOM 1989 CA THR A1010 0.726 9.918 -4.711 1.00 53.42 C ATOM 1990 C THR A1010 0.946 9.530 -3.234 1.00 64.13 C ATOM 1991 O THR A1010 2.057 9.677 -2.731 1.00 23.12 O ATOM 1992 CB THR A1010 0.346 11.440 -4.852 1.00 52.22 C ATOM 1993 OG1 THR A1010 1.393 12.279 -4.319 1.00 13.41 O ATOM 1994 CG2 THR A1010 -0.974 11.798 -4.161 1.00 43.34 C ATOM 0 H THR A1010 -1.173 9.420 -5.510 1.00 41.01 H new ATOM 0 HA THR A1010 1.666 9.792 -5.248 1.00 53.42 H new ATOM 0 HB THR A1010 0.223 11.618 -5.920 1.00 52.22 H new ATOM 0 HG1 THR A1010 1.139 13.221 -4.417 1.00 13.41 H new ATOM 0 HG21 THR A1010 -1.178 12.860 -4.295 1.00 43.34 H new ATOM 0 HG22 THR A1010 -1.784 11.214 -4.599 1.00 43.34 H new ATOM 0 HG23 THR A1010 -0.900 11.574 -3.097 1.00 43.34 H new ATOM 2002 N ALA A1011 -0.099 9.002 -2.559 1.00 2.41 N ATOM 2003 CA ALA A1011 0.021 8.502 -1.164 1.00 2.44 C ATOM 2004 C ALA A1011 0.853 7.198 -1.103 1.00 40.21 C ATOM 2005 O ALA A1011 1.585 6.959 -0.131 1.00 74.32 O ATOM 2006 CB ALA A1011 -1.368 8.283 -0.557 1.00 71.34 C ATOM 0 H ALA A1011 -1.035 8.909 -2.954 1.00 2.41 H new ATOM 0 HA ALA A1011 0.545 9.258 -0.579 1.00 2.44 H new ATOM 0 HB1 ALA A1011 -1.265 7.917 0.464 1.00 71.34 H new ATOM 0 HB2 ALA A1011 -1.915 9.226 -0.551 1.00 71.34 H new ATOM 0 HB3 ALA A1011 -1.914 7.550 -1.152 1.00 71.34 H new ATOM 2012 N LEU A1012 0.737 6.384 -2.171 1.00 44.12 N ATOM 2013 CA LEU A1012 1.475 5.114 -2.320 1.00 2.35 C ATOM 2014 C LEU A1012 2.964 5.394 -2.574 1.00 44.44 C ATOM 2015 O LEU A1012 3.841 4.789 -1.962 1.00 3.14 O ATOM 2016 CB LEU A1012 0.924 4.267 -3.506 1.00 41.32 C ATOM 2017 CG LEU A1012 -0.556 3.777 -3.463 1.00 44.44 C ATOM 2018 CD1 LEU A1012 -0.813 2.691 -4.535 1.00 13.15 C ATOM 2019 CD2 LEU A1012 -0.955 3.297 -2.066 1.00 11.42 C ATOM 0 H LEU A1012 0.124 6.591 -2.960 1.00 44.12 H new ATOM 0 HA LEU A1012 1.345 4.554 -1.394 1.00 2.35 H new ATOM 0 HB2 LEU A1012 1.050 4.854 -4.416 1.00 41.32 H new ATOM 0 HB3 LEU A1012 1.559 3.387 -3.604 1.00 41.32 H new ATOM 0 HG LEU A1012 -1.192 4.631 -3.698 1.00 44.44 H new ATOM 0 HD11 LEU A1012 -1.852 2.367 -4.483 1.00 13.15 H new ATOM 0 HD12 LEU A1012 -0.610 3.101 -5.524 1.00 13.15 H new ATOM 0 HD13 LEU A1012 -0.158 1.839 -4.354 1.00 13.15 H new ATOM 0 HD21 LEU A1012 -1.993 2.964 -2.078 1.00 11.42 H new ATOM 0 HD22 LEU A1012 -0.312 2.469 -1.768 1.00 11.42 H new ATOM 0 HD23 LEU A1012 -0.845 4.116 -1.355 1.00 11.42 H new ATOM 2031 N ASP A1013 3.214 6.323 -3.511 1.00 14.40 N ATOM 2032 CA ASP A1013 4.572 6.747 -3.910 1.00 4.23 C ATOM 2033 C ASP A1013 5.298 7.377 -2.702 1.00 13.54 C ATOM 2034 O ASP A1013 6.475 7.097 -2.455 1.00 2.12 O ATOM 2035 CB ASP A1013 4.473 7.755 -5.091 1.00 74.12 C ATOM 2036 CG ASP A1013 5.827 8.070 -5.764 1.00 2.31 C ATOM 2037 OD1 ASP A1013 6.119 7.503 -6.841 1.00 41.21 O ATOM 2038 OD2 ASP A1013 6.605 8.890 -5.227 1.00 63.44 O ATOM 0 H ASP A1013 2.474 6.807 -4.019 1.00 14.40 H new ATOM 0 HA ASP A1013 5.148 5.882 -4.240 1.00 4.23 H new ATOM 0 HB2 ASP A1013 3.791 7.354 -5.841 1.00 74.12 H new ATOM 0 HB3 ASP A1013 4.035 8.684 -4.726 1.00 74.12 H new ATOM 2043 N ASN A1014 4.543 8.194 -1.941 1.00 30.52 N ATOM 2044 CA ASN A1014 5.019 8.843 -0.705 1.00 11.14 C ATOM 2045 C ASN A1014 5.384 7.796 0.366 1.00 63.21 C ATOM 2046 O ASN A1014 6.436 7.910 1.004 1.00 32.14 O ATOM 2047 CB ASN A1014 3.948 9.842 -0.182 1.00 52.43 C ATOM 2048 CG ASN A1014 4.283 10.432 1.193 1.00 61.34 C ATOM 2049 OD1 ASN A1014 5.035 11.404 1.308 1.00 73.00 O ATOM 2050 ND2 ASN A1014 3.715 9.852 2.239 1.00 32.42 N ATOM 0 H ASN A1014 3.576 8.424 -2.170 1.00 30.52 H new ATOM 0 HA ASN A1014 5.927 9.402 -0.931 1.00 11.14 H new ATOM 0 HB2 ASN A1014 3.839 10.654 -0.900 1.00 52.43 H new ATOM 0 HB3 ASN A1014 2.985 9.334 -0.126 1.00 52.43 H new ATOM 0 HD21 ASN A1014 3.894 10.207 3.178 1.00 32.42 H new ATOM 0 HD22 ASN A1014 3.099 9.050 2.105 1.00 32.42 H new ATOM 2057 N PHE A1015 4.514 6.772 0.533 1.00 72.34 N ATOM 2058 CA PHE A1015 4.758 5.650 1.463 1.00 63.51 C ATOM 2059 C PHE A1015 6.072 4.948 1.104 1.00 65.13 C ATOM 2060 O PHE A1015 6.967 4.864 1.944 1.00 13.21 O ATOM 2061 CB PHE A1015 3.573 4.641 1.443 1.00 11.02 C ATOM 2062 CG PHE A1015 3.880 3.244 2.030 1.00 13.41 C ATOM 2063 CD1 PHE A1015 3.981 2.137 1.194 1.00 72.42 C ATOM 2064 CD2 PHE A1015 4.074 3.043 3.396 1.00 22.04 C ATOM 2065 CE1 PHE A1015 4.256 0.878 1.689 1.00 22.40 C ATOM 2066 CE2 PHE A1015 4.351 1.782 3.899 1.00 15.34 C ATOM 2067 CZ PHE A1015 4.441 0.699 3.042 1.00 1.34 C ATOM 0 H PHE A1015 3.630 6.703 0.029 1.00 72.34 H new ATOM 0 HA PHE A1015 4.838 6.050 2.474 1.00 63.51 H new ATOM 0 HB2 PHE A1015 2.740 5.074 1.997 1.00 11.02 H new ATOM 0 HB3 PHE A1015 3.240 4.518 0.412 1.00 11.02 H new ATOM 0 HD1 PHE A1015 3.841 2.266 0.131 1.00 72.42 H new ATOM 0 HD2 PHE A1015 4.007 3.883 4.072 1.00 22.04 H new ATOM 0 HE1 PHE A1015 4.326 0.035 1.017 1.00 22.40 H new ATOM 0 HE2 PHE A1015 4.497 1.644 4.960 1.00 15.34 H new ATOM 0 HZ PHE A1015 4.656 -0.284 3.433 1.00 1.34 H new ATOM 2077 N GLU A1016 6.169 4.493 -0.163 1.00 74.13 N ATOM 2078 CA GLU A1016 7.345 3.780 -0.695 1.00 61.43 C ATOM 2079 C GLU A1016 8.645 4.551 -0.431 1.00 40.10 C ATOM 2080 O GLU A1016 9.627 3.975 0.040 1.00 2.32 O ATOM 2081 CB GLU A1016 7.183 3.533 -2.214 1.00 43.24 C ATOM 2082 CG GLU A1016 8.335 2.734 -2.864 1.00 42.20 C ATOM 2083 CD GLU A1016 8.216 2.662 -4.390 1.00 73.53 C ATOM 2084 OE1 GLU A1016 8.622 3.635 -5.058 1.00 74.52 O ATOM 2085 OE2 GLU A1016 7.669 1.672 -4.918 1.00 12.20 O ATOM 0 H GLU A1016 5.425 4.612 -0.850 1.00 74.13 H new ATOM 0 HA GLU A1016 7.409 2.824 -0.176 1.00 61.43 H new ATOM 0 HB2 GLU A1016 6.248 3.000 -2.384 1.00 43.24 H new ATOM 0 HB3 GLU A1016 7.097 4.496 -2.718 1.00 43.24 H new ATOM 0 HG2 GLU A1016 9.286 3.195 -2.599 1.00 42.20 H new ATOM 0 HG3 GLU A1016 8.346 1.723 -2.456 1.00 42.20 H new ATOM 2092 N ALA A1017 8.605 5.863 -0.696 1.00 32.52 N ATOM 2093 CA ALA A1017 9.763 6.748 -0.522 1.00 64.32 C ATOM 2094 C ALA A1017 10.203 6.830 0.947 1.00 1.53 C ATOM 2095 O ALA A1017 11.314 6.421 1.282 1.00 52.44 O ATOM 2096 CB ALA A1017 9.442 8.135 -1.065 1.00 23.34 C ATOM 0 H ALA A1017 7.770 6.340 -1.037 1.00 32.52 H new ATOM 0 HA ALA A1017 10.596 6.327 -1.085 1.00 64.32 H new ATOM 0 HB1 ALA A1017 10.306 8.786 -0.933 1.00 23.34 H new ATOM 0 HB2 ALA A1017 9.201 8.064 -2.126 1.00 23.34 H new ATOM 0 HB3 ALA A1017 8.590 8.549 -0.526 1.00 23.34 H new ATOM 2102 N LYS A1018 9.288 7.295 1.815 1.00 73.32 N ATOM 2103 CA LYS A1018 9.566 7.523 3.251 1.00 50.02 C ATOM 2104 C LYS A1018 9.963 6.216 3.972 1.00 53.24 C ATOM 2105 O LYS A1018 10.823 6.211 4.876 1.00 70.24 O ATOM 2106 CB LYS A1018 8.325 8.136 3.948 1.00 3.53 C ATOM 2107 CG LYS A1018 7.851 9.503 3.414 1.00 40.23 C ATOM 2108 CD LYS A1018 8.935 10.595 3.529 1.00 25.41 C ATOM 2109 CE LYS A1018 8.426 11.974 3.089 1.00 35.23 C ATOM 2110 NZ LYS A1018 7.907 11.963 1.698 1.00 51.24 N ATOM 0 H LYS A1018 8.332 7.525 1.544 1.00 73.32 H new ATOM 0 HA LYS A1018 10.405 8.216 3.312 1.00 50.02 H new ATOM 0 HB2 LYS A1018 7.500 7.429 3.862 1.00 3.53 H new ATOM 0 HB3 LYS A1018 8.545 8.241 5.010 1.00 3.53 H new ATOM 0 HG2 LYS A1018 7.556 9.398 2.370 1.00 40.23 H new ATOM 0 HG3 LYS A1018 6.965 9.817 3.966 1.00 40.23 H new ATOM 0 HD2 LYS A1018 9.282 10.651 4.561 1.00 25.41 H new ATOM 0 HD3 LYS A1018 9.794 10.316 2.919 1.00 25.41 H new ATOM 0 HE2 LYS A1018 7.637 12.301 3.767 1.00 35.23 H new ATOM 0 HE3 LYS A1018 9.235 12.700 3.167 1.00 35.23 H new ATOM 0 HZ1 LYS A1018 8.065 12.894 1.261 1.00 51.24 H new ATOM 0 HZ2 LYS A1018 8.404 11.233 1.148 1.00 51.24 H new ATOM 0 HZ3 LYS A1018 6.888 11.754 1.709 1.00 51.24 H new ATOM 2124 N MET A1019 9.349 5.102 3.549 1.00 34.21 N ATOM 2125 CA MET A1019 9.565 3.806 4.194 1.00 21.33 C ATOM 2126 C MET A1019 10.869 3.151 3.690 1.00 63.21 C ATOM 2127 O MET A1019 11.465 2.335 4.395 1.00 41.21 O ATOM 2128 CB MET A1019 8.333 2.873 4.043 1.00 51.44 C ATOM 2129 CG MET A1019 8.263 2.032 2.745 1.00 33.43 C ATOM 2130 SD MET A1019 7.731 0.342 3.074 1.00 70.52 S ATOM 2131 CE MET A1019 8.897 -0.110 4.353 1.00 30.44 C ATOM 0 H MET A1019 8.700 5.076 2.763 1.00 34.21 H new ATOM 0 HA MET A1019 9.684 3.979 5.264 1.00 21.33 H new ATOM 0 HB2 MET A1019 8.314 2.191 4.893 1.00 51.44 H new ATOM 0 HB3 MET A1019 7.432 3.484 4.104 1.00 51.44 H new ATOM 0 HG2 MET A1019 7.572 2.501 2.044 1.00 33.43 H new ATOM 0 HG3 MET A1019 9.242 2.019 2.267 1.00 33.43 H new ATOM 0 HE1 MET A1019 8.916 -1.194 4.461 1.00 30.44 H new ATOM 0 HE2 MET A1019 9.891 0.245 4.081 1.00 30.44 H new ATOM 0 HE3 MET A1019 8.595 0.343 5.297 1.00 30.44 H new ATOM 2141 N ALA A1020 11.301 3.512 2.469 1.00 60.44 N ATOM 2142 CA ALA A1020 12.655 3.178 1.974 1.00 64.43 C ATOM 2143 C ALA A1020 13.713 4.092 2.627 1.00 42.31 C ATOM 2144 O ALA A1020 14.892 3.727 2.708 1.00 52.44 O ATOM 2145 CB ALA A1020 12.715 3.285 0.444 1.00 23.20 C ATOM 0 H ALA A1020 10.733 4.036 1.803 1.00 60.44 H new ATOM 0 HA ALA A1020 12.876 2.147 2.252 1.00 64.43 H new ATOM 0 HB1 ALA A1020 13.719 3.035 0.101 1.00 23.20 H new ATOM 0 HB2 ALA A1020 11.998 2.593 0.002 1.00 23.20 H new ATOM 0 HB3 ALA A1020 12.471 4.303 0.141 1.00 23.20 H new ATOM 2151 N LEU A1021 13.268 5.285 3.080 1.00 74.11 N ATOM 2152 CA LEU A1021 14.120 6.253 3.802 1.00 40.43 C ATOM 2153 C LEU A1021 14.285 5.873 5.290 1.00 53.33 C ATOM 2154 O LEU A1021 15.226 6.355 5.916 1.00 1.50 O ATOM 2155 CB LEU A1021 13.556 7.704 3.688 1.00 60.04 C ATOM 2156 CG LEU A1021 13.569 8.364 2.270 1.00 73.02 C ATOM 2157 CD1 LEU A1021 12.994 9.802 2.318 1.00 14.34 C ATOM 2158 CD2 LEU A1021 14.983 8.337 1.652 1.00 64.13 C ATOM 0 H LEU A1021 12.307 5.603 2.955 1.00 74.11 H new ATOM 0 HA LEU A1021 15.101 6.219 3.328 1.00 40.43 H new ATOM 0 HB2 LEU A1021 12.527 7.696 4.048 1.00 60.04 H new ATOM 0 HB3 LEU A1021 14.125 8.342 4.364 1.00 60.04 H new ATOM 0 HG LEU A1021 12.921 7.774 1.622 1.00 73.02 H new ATOM 0 HD11 LEU A1021 13.015 10.236 1.318 1.00 14.34 H new ATOM 0 HD12 LEU A1021 11.966 9.771 2.678 1.00 14.34 H new ATOM 0 HD13 LEU A1021 13.596 10.412 2.991 1.00 14.34 H new ATOM 0 HD21 LEU A1021 14.958 8.803 0.667 1.00 64.13 H new ATOM 0 HD22 LEU A1021 15.672 8.884 2.295 1.00 64.13 H new ATOM 0 HD23 LEU A1021 15.319 7.304 1.557 1.00 64.13 H new ATOM 2170 N LEU A1022 13.348 5.042 5.839 1.00 41.02 N ATOM 2171 CA LEU A1022 13.444 4.480 7.227 1.00 13.21 C ATOM 2172 C LEU A1022 14.853 3.886 7.515 1.00 44.42 C ATOM 2173 O LEU A1022 15.201 2.856 6.938 1.00 35.05 O ATOM 2174 CB LEU A1022 12.377 3.360 7.455 1.00 12.34 C ATOM 2175 CG LEU A1022 10.882 3.803 7.528 1.00 61.41 C ATOM 2176 CD1 LEU A1022 9.937 2.584 7.626 1.00 13.12 C ATOM 2177 CD2 LEU A1022 10.633 4.761 8.694 1.00 23.31 C ATOM 0 H LEU A1022 12.511 4.744 5.338 1.00 41.02 H new ATOM 0 HA LEU A1022 13.261 5.310 7.909 1.00 13.21 H new ATOM 0 HB2 LEU A1022 12.475 2.632 6.650 1.00 12.34 H new ATOM 0 HB3 LEU A1022 12.622 2.844 8.383 1.00 12.34 H new ATOM 0 HG LEU A1022 10.664 4.334 6.601 1.00 61.41 H new ATOM 0 HD11 LEU A1022 8.904 2.928 7.675 1.00 13.12 H new ATOM 0 HD12 LEU A1022 10.067 1.951 6.748 1.00 13.12 H new ATOM 0 HD13 LEU A1022 10.172 2.012 8.524 1.00 13.12 H new ATOM 0 HD21 LEU A1022 9.581 5.047 8.712 1.00 23.31 H new ATOM 0 HD22 LEU A1022 10.891 4.268 9.631 1.00 23.31 H new ATOM 0 HD23 LEU A1022 11.249 5.652 8.571 1.00 23.31 H new