USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 180:sc= 0.26 USER MOD Set 1.2: A 105 GLN : amide:sc= 0.262 X(o=0.52,f=0.99) USER MOD Set 2.1: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 149:sc= 1.2 (180deg=1.13) USER MOD Set 3.2: A 90 TYR OH : rot 50:sc= -0.109 USER MOD Set 4.1: A 84 CYS SG : rot -68:sc= 1.08 USER MOD Set 4.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 62 HIS : no HD1:sc= 0.939 K(o=1.4,f=-4.9) USER MOD Set 5.2: A 76 HIS : no HE2:sc= 0.475 K(o=1.4,f=-7.1!) USER MOD Set 6.1: A 44 ASN : amide:sc= -3.53! C(o=-3.2!,f=-3.8!) USER MOD Set 6.2: A 55 SER OG : rot -74:sc= 0.33 USER MOD Set 7.1: A 20 CYS SG : rot 123:sc= -3.34! USER MOD Set 7.2: A 27 GLN : amide:sc= 0.0149 X(o=-3.3,f=-3.3) USER MOD Set 8.1: A 26 GLN : amide:sc= -1.38! K(o=-1.3!,f=-0.02) USER MOD Set 8.2: A 95 TYR OH : rot -96:sc= 0.125 USER MOD Set 9.1: A 3 GLN : amide:sc= 0.0329 X(o=0.065,f=0.011) USER MOD Set 9.2: A 107 SER OG : rot -31:sc= 0.0324 USER MOD Single : A 5 THR OG1 : rot -130:sc= -0.0519 USER MOD Single : A 8 CYS SG : rot 10:sc= 0.71 USER MOD Single : A 9 LYS NZ :NH3+ 139:sc= 0.168 (180deg=-0.322) USER MOD Single : A 17 THR OG1 : rot 89:sc= 0.00257 USER MOD Single : A 25 GLN : amide:sc= -3.62! K(o=-3.6!,f=-0.73) USER MOD Single : A 35 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.8) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 150:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0745 K(o=-0.075,f=-0.6) USER MOD Single : A 52 SER OG : rot 90:sc= -3.95! USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 70 SER OG : rot 48:sc= 0.315 USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= -1.2 (180deg=-2.23!) USER MOD Single : A 75 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.21) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.77! K(o=-1.8!,f=-0.84) USER MOD Single : A 103 ASN : amide:sc= -1.25 K(o=-1.2,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -19.676 -6.997 0.915 1.00 25.04 N ATOM 32 CA GLN A 3 -18.717 -7.012 -0.186 1.00 73.01 C ATOM 33 C GLN A 3 -17.336 -6.613 0.320 1.00 52.11 C ATOM 34 O GLN A 3 -16.467 -6.184 -0.441 1.00 40.44 O ATOM 35 CB GLN A 3 -19.176 -6.063 -1.291 1.00 1.30 C ATOM 36 CG GLN A 3 -19.442 -4.648 -0.807 1.00 42.03 C ATOM 37 CD GLN A 3 -19.858 -3.725 -1.930 1.00 53.31 C ATOM 38 OE1 GLN A 3 -19.021 -3.090 -2.570 1.00 61.32 O ATOM 39 NE2 GLN A 3 -21.155 -3.641 -2.177 1.00 33.54 N ATOM 0 HA GLN A 3 -18.659 -8.021 -0.595 1.00 73.01 H new ATOM 0 HB2 GLN A 3 -18.416 -6.034 -2.072 1.00 1.30 H new ATOM 0 HB3 GLN A 3 -20.084 -6.460 -1.745 1.00 1.30 H new ATOM 0 HG2 GLN A 3 -20.224 -4.667 -0.047 1.00 42.03 H new ATOM 0 HG3 GLN A 3 -18.544 -4.255 -0.330 1.00 42.03 H new ATOM 0 HE21 GLN A 3 -21.816 -4.185 -1.622 1.00 33.54 H new ATOM 0 HE22 GLN A 3 -21.494 -3.032 -2.922 1.00 33.54 H new ATOM 48 N TRP A 4 -17.148 -6.780 1.617 1.00 52.41 N ATOM 49 CA TRP A 4 -15.920 -6.382 2.280 1.00 13.43 C ATOM 50 C TRP A 4 -15.002 -7.583 2.449 1.00 70.23 C ATOM 51 O TRP A 4 -15.315 -8.512 3.193 1.00 54.41 O ATOM 52 CB TRP A 4 -16.248 -5.764 3.636 1.00 23.42 C ATOM 53 CG TRP A 4 -17.163 -4.583 3.528 1.00 62.42 C ATOM 54 CD1 TRP A 4 -18.526 -4.603 3.436 1.00 44.04 C ATOM 55 CD2 TRP A 4 -16.781 -3.208 3.503 1.00 31.35 C ATOM 56 NE1 TRP A 4 -19.010 -3.321 3.354 1.00 41.44 N ATOM 57 CE2 TRP A 4 -17.959 -2.446 3.397 1.00 53.23 C ATOM 58 CE3 TRP A 4 -15.555 -2.549 3.565 1.00 44.35 C ATOM 59 CZ2 TRP A 4 -17.943 -1.057 3.348 1.00 72.54 C ATOM 60 CZ3 TRP A 4 -15.539 -1.168 3.518 1.00 15.54 C ATOM 61 CH2 TRP A 4 -16.727 -0.435 3.412 1.00 30.11 C ATOM 0 H TRP A 4 -17.842 -7.195 2.239 1.00 52.41 H new ATOM 0 HA TRP A 4 -15.405 -5.641 1.669 1.00 13.43 H new ATOM 0 HB2 TRP A 4 -16.710 -6.519 4.272 1.00 23.42 H new ATOM 0 HB3 TRP A 4 -15.323 -5.458 4.124 1.00 23.42 H new ATOM 0 HD1 TRP A 4 -19.133 -5.496 3.429 1.00 44.04 H new ATOM 0 HE1 TRP A 4 -19.993 -3.063 3.274 1.00 41.44 H new ATOM 0 HE3 TRP A 4 -14.634 -3.107 3.648 1.00 44.35 H new ATOM 0 HZ2 TRP A 4 -18.858 -0.490 3.262 1.00 72.54 H new ATOM 0 HZ3 TRP A 4 -14.595 -0.646 3.564 1.00 15.54 H new ATOM 0 HH2 TRP A 4 -16.682 0.644 3.380 1.00 30.11 H new ATOM 72 N THR A 5 -13.888 -7.569 1.740 1.00 40.24 N ATOM 73 CA THR A 5 -12.947 -8.671 1.776 1.00 52.14 C ATOM 74 C THR A 5 -11.787 -8.360 2.718 1.00 54.11 C ATOM 75 O THR A 5 -11.280 -7.238 2.737 1.00 44.23 O ATOM 76 CB THR A 5 -12.411 -8.965 0.365 1.00 31.12 C ATOM 77 OG1 THR A 5 -13.510 -9.115 -0.538 1.00 73.33 O ATOM 78 CG2 THR A 5 -11.562 -10.227 0.347 1.00 42.32 C ATOM 0 H THR A 5 -13.613 -6.800 1.129 1.00 40.24 H new ATOM 0 HA THR A 5 -13.471 -9.552 2.147 1.00 52.14 H new ATOM 0 HB THR A 5 -11.783 -8.129 0.057 1.00 31.12 H new ATOM 0 HG1 THR A 5 -13.399 -9.941 -1.054 1.00 73.33 H new ATOM 0 HG21 THR A 5 -11.199 -10.407 -0.665 1.00 42.32 H new ATOM 0 HG22 THR A 5 -10.714 -10.105 1.021 1.00 42.32 H new ATOM 0 HG23 THR A 5 -12.164 -11.075 0.672 1.00 42.32 H new ATOM 86 N THR A 6 -11.386 -9.349 3.503 1.00 53.20 N ATOM 87 CA THR A 6 -10.301 -9.188 4.452 1.00 11.55 C ATOM 88 C THR A 6 -8.961 -9.080 3.729 1.00 20.41 C ATOM 89 O THR A 6 -8.661 -9.879 2.841 1.00 12.13 O ATOM 90 CB THR A 6 -10.257 -10.379 5.424 1.00 62.43 C ATOM 91 OG1 THR A 6 -11.589 -10.729 5.820 1.00 24.24 O ATOM 92 CG2 THR A 6 -9.432 -10.044 6.657 1.00 20.11 C ATOM 0 H THR A 6 -11.803 -10.280 3.498 1.00 53.20 H new ATOM 0 HA THR A 6 -10.480 -8.270 5.011 1.00 11.55 H new ATOM 0 HB THR A 6 -9.790 -11.221 4.913 1.00 62.43 H new ATOM 0 HG1 THR A 6 -11.558 -11.489 6.438 1.00 24.24 H new ATOM 0 HG21 THR A 6 -9.416 -10.902 7.329 1.00 20.11 H new ATOM 0 HG22 THR A 6 -8.413 -9.799 6.357 1.00 20.11 H new ATOM 0 HG23 THR A 6 -9.875 -9.190 7.170 1.00 20.11 H new ATOM 100 N VAL A 7 -8.167 -8.086 4.099 1.00 21.00 N ATOM 101 CA VAL A 7 -6.842 -7.923 3.520 1.00 22.23 C ATOM 102 C VAL A 7 -5.827 -8.742 4.308 1.00 23.25 C ATOM 103 O VAL A 7 -5.327 -9.759 3.827 1.00 30.34 O ATOM 104 CB VAL A 7 -6.400 -6.443 3.511 1.00 24.31 C ATOM 105 CG1 VAL A 7 -5.072 -6.282 2.786 1.00 3.33 C ATOM 106 CG2 VAL A 7 -7.465 -5.565 2.875 1.00 62.12 C ATOM 0 H VAL A 7 -8.416 -7.383 4.795 1.00 21.00 H new ATOM 0 HA VAL A 7 -6.889 -8.273 2.489 1.00 22.23 H new ATOM 0 HB VAL A 7 -6.267 -6.124 4.545 1.00 24.31 H new ATOM 0 HG11 VAL A 7 -4.779 -5.232 2.791 1.00 3.33 H new ATOM 0 HG12 VAL A 7 -4.308 -6.874 3.290 1.00 3.33 H new ATOM 0 HG13 VAL A 7 -5.176 -6.624 1.756 1.00 3.33 H new ATOM 0 HG21 VAL A 7 -7.132 -4.527 2.880 1.00 62.12 H new ATOM 0 HG22 VAL A 7 -7.636 -5.886 1.848 1.00 62.12 H new ATOM 0 HG23 VAL A 7 -8.393 -5.651 3.441 1.00 62.12 H new ATOM 116 N CYS A 8 -5.545 -8.296 5.526 1.00 73.40 N ATOM 117 CA CYS A 8 -4.605 -8.975 6.410 1.00 25.24 C ATOM 118 C CYS A 8 -4.940 -8.657 7.860 1.00 14.04 C ATOM 119 O CYS A 8 -5.876 -7.900 8.135 1.00 1.32 O ATOM 120 CB CYS A 8 -3.161 -8.552 6.113 1.00 42.23 C ATOM 121 SG CYS A 8 -2.550 -9.062 4.488 1.00 32.11 S ATOM 0 H CYS A 8 -5.960 -7.456 5.928 1.00 73.40 H new ATOM 0 HA CYS A 8 -4.692 -10.048 6.237 1.00 25.24 H new ATOM 0 HB2 CYS A 8 -3.090 -7.467 6.190 1.00 42.23 H new ATOM 0 HB3 CYS A 8 -2.508 -8.969 6.880 1.00 42.23 H new ATOM 0 HG CYS A 8 -3.535 -9.534 3.783 1.00 32.11 H new ATOM 127 N LYS A 9 -4.180 -9.235 8.784 1.00 14.11 N ATOM 128 CA LYS A 9 -4.365 -8.952 10.198 1.00 33.41 C ATOM 129 C LYS A 9 -3.735 -7.611 10.534 1.00 34.21 C ATOM 130 O LYS A 9 -2.696 -7.255 9.981 1.00 5.02 O ATOM 131 CB LYS A 9 -3.733 -10.039 11.069 1.00 75.34 C ATOM 132 CG LYS A 9 -4.121 -11.451 10.677 1.00 65.14 C ATOM 133 CD LYS A 9 -3.628 -12.458 11.699 1.00 33.14 C ATOM 134 CE LYS A 9 -3.679 -13.872 11.153 1.00 22.31 C ATOM 135 NZ LYS A 9 -2.686 -14.077 10.062 1.00 44.42 N ATOM 0 H LYS A 9 -3.434 -9.899 8.578 1.00 14.11 H new ATOM 0 HA LYS A 9 -5.435 -8.927 10.402 1.00 33.41 H new ATOM 0 HB2 LYS A 9 -2.648 -9.945 11.019 1.00 75.34 H new ATOM 0 HB3 LYS A 9 -4.020 -9.870 12.107 1.00 75.34 H new ATOM 0 HG2 LYS A 9 -5.205 -11.521 10.586 1.00 65.14 H new ATOM 0 HG3 LYS A 9 -3.703 -11.688 9.698 1.00 65.14 H new ATOM 0 HD2 LYS A 9 -2.605 -12.215 11.988 1.00 33.14 H new ATOM 0 HD3 LYS A 9 -4.238 -12.392 12.600 1.00 33.14 H new ATOM 0 HE2 LYS A 9 -3.486 -14.580 11.959 1.00 22.31 H new ATOM 0 HE3 LYS A 9 -4.681 -14.081 10.778 1.00 22.31 H new ATOM 0 HZ1 LYS A 9 -2.239 -15.010 10.170 1.00 44.42 H new ATOM 0 HZ2 LYS A 9 -3.167 -14.028 9.141 1.00 44.42 H new ATOM 0 HZ3 LYS A 9 -1.958 -13.336 10.112 1.00 44.42 H new ATOM 149 N LEU A 10 -4.363 -6.877 11.438 1.00 11.11 N ATOM 150 CA LEU A 10 -3.858 -5.579 11.863 1.00 10.45 C ATOM 151 C LEU A 10 -2.509 -5.726 12.557 1.00 30.34 C ATOM 152 O LEU A 10 -1.608 -4.909 12.377 1.00 33.41 O ATOM 153 CB LEU A 10 -4.855 -4.927 12.821 1.00 71.22 C ATOM 154 CG LEU A 10 -4.441 -3.566 13.373 1.00 71.31 C ATOM 155 CD1 LEU A 10 -4.517 -2.504 12.287 1.00 5.11 C ATOM 156 CD2 LEU A 10 -5.308 -3.195 14.564 1.00 50.02 C ATOM 0 H LEU A 10 -5.230 -7.160 11.895 1.00 11.11 H new ATOM 0 HA LEU A 10 -3.731 -4.952 10.980 1.00 10.45 H new ATOM 0 HB2 LEU A 10 -5.809 -4.816 12.305 1.00 71.22 H new ATOM 0 HB3 LEU A 10 -5.023 -5.604 13.659 1.00 71.22 H new ATOM 0 HG LEU A 10 -3.407 -3.625 13.711 1.00 71.31 H new ATOM 0 HD11 LEU A 10 -4.218 -1.540 12.699 1.00 5.11 H new ATOM 0 HD12 LEU A 10 -3.848 -2.772 11.469 1.00 5.11 H new ATOM 0 HD13 LEU A 10 -5.539 -2.438 11.914 1.00 5.11 H new ATOM 0 HD21 LEU A 10 -5.002 -2.222 14.948 1.00 50.02 H new ATOM 0 HD22 LEU A 10 -6.352 -3.151 14.254 1.00 50.02 H new ATOM 0 HD23 LEU A 10 -5.193 -3.946 15.346 1.00 50.02 H new ATOM 168 N ASP A 11 -2.379 -6.795 13.329 1.00 25.21 N ATOM 169 CA ASP A 11 -1.208 -7.014 14.169 1.00 14.23 C ATOM 170 C ASP A 11 -0.001 -7.409 13.335 1.00 53.34 C ATOM 171 O ASP A 11 1.133 -7.059 13.664 1.00 41.33 O ATOM 172 CB ASP A 11 -1.496 -8.094 15.212 1.00 41.41 C ATOM 173 CG ASP A 11 -0.330 -8.318 16.149 1.00 22.12 C ATOM 174 OD1 ASP A 11 -0.132 -7.485 17.060 1.00 54.03 O ATOM 175 OD2 ASP A 11 0.384 -9.329 15.989 1.00 63.11 O ATOM 0 H ASP A 11 -3.079 -7.534 13.392 1.00 25.21 H new ATOM 0 HA ASP A 11 -0.981 -6.077 14.678 1.00 14.23 H new ATOM 0 HB2 ASP A 11 -2.375 -7.810 15.791 1.00 41.41 H new ATOM 0 HB3 ASP A 11 -1.736 -9.029 14.706 1.00 41.41 H new ATOM 180 N ASP A 12 -0.249 -8.125 12.245 1.00 23.12 N ATOM 181 CA ASP A 12 0.824 -8.539 11.351 1.00 70.44 C ATOM 182 C ASP A 12 1.395 -7.341 10.616 1.00 23.00 C ATOM 183 O ASP A 12 2.492 -7.405 10.058 1.00 43.13 O ATOM 184 CB ASP A 12 0.344 -9.587 10.346 1.00 32.15 C ATOM 185 CG ASP A 12 0.242 -10.972 10.950 1.00 32.25 C ATOM 186 OD1 ASP A 12 1.193 -11.399 11.639 1.00 31.31 O ATOM 187 OD2 ASP A 12 -0.777 -11.652 10.723 1.00 72.24 O ATOM 0 H ASP A 12 -1.180 -8.430 11.960 1.00 23.12 H new ATOM 0 HA ASP A 12 1.605 -8.989 11.963 1.00 70.44 H new ATOM 0 HB2 ASP A 12 -0.631 -9.292 9.957 1.00 32.15 H new ATOM 0 HB3 ASP A 12 1.030 -9.614 9.500 1.00 32.15 H new ATOM 192 N ILE A 13 0.655 -6.244 10.619 1.00 70.11 N ATOM 193 CA ILE A 13 1.130 -5.024 9.989 1.00 25.51 C ATOM 194 C ILE A 13 1.909 -4.190 11.000 1.00 33.01 C ATOM 195 O ILE A 13 1.349 -3.693 11.976 1.00 50.34 O ATOM 196 CB ILE A 13 -0.028 -4.187 9.397 1.00 41.25 C ATOM 197 CG1 ILE A 13 -0.879 -5.045 8.449 1.00 13.33 C ATOM 198 CG2 ILE A 13 0.517 -2.963 8.666 1.00 10.41 C ATOM 199 CD1 ILE A 13 -0.104 -5.612 7.278 1.00 33.41 C ATOM 0 H ILE A 13 -0.268 -6.173 11.047 1.00 70.11 H new ATOM 0 HA ILE A 13 1.782 -5.311 9.164 1.00 25.51 H new ATOM 0 HB ILE A 13 -0.661 -3.845 10.216 1.00 41.25 H new ATOM 0 HG12 ILE A 13 -1.319 -5.867 9.014 1.00 13.33 H new ATOM 0 HG13 ILE A 13 -1.704 -4.442 8.069 1.00 13.33 H new ATOM 0 HG21 ILE A 13 -0.311 -2.385 8.256 1.00 10.41 H new ATOM 0 HG22 ILE A 13 1.081 -2.344 9.364 1.00 10.41 H new ATOM 0 HG23 ILE A 13 1.171 -3.285 7.856 1.00 10.41 H new ATOM 0 HD11 ILE A 13 -0.771 -6.206 6.653 1.00 33.41 H new ATOM 0 HD12 ILE A 13 0.314 -4.796 6.689 1.00 33.41 H new ATOM 0 HD13 ILE A 13 0.704 -6.243 7.648 1.00 33.41 H new ATOM 211 N LEU A 14 3.208 -4.069 10.778 1.00 62.44 N ATOM 212 CA LEU A 14 4.075 -3.323 11.676 1.00 34.14 C ATOM 213 C LEU A 14 3.765 -1.830 11.626 1.00 72.53 C ATOM 214 O LEU A 14 3.617 -1.257 10.545 1.00 5.42 O ATOM 215 CB LEU A 14 5.540 -3.560 11.308 1.00 33.04 C ATOM 216 CG LEU A 14 6.028 -5.001 11.468 1.00 74.34 C ATOM 217 CD1 LEU A 14 7.472 -5.130 11.010 1.00 52.52 C ATOM 218 CD2 LEU A 14 5.887 -5.452 12.914 1.00 21.51 C ATOM 0 H LEU A 14 3.688 -4.481 9.978 1.00 62.44 H new ATOM 0 HA LEU A 14 3.894 -3.677 12.691 1.00 34.14 H new ATOM 0 HB2 LEU A 14 5.692 -3.255 10.273 1.00 33.04 H new ATOM 0 HB3 LEU A 14 6.162 -2.912 11.925 1.00 33.04 H new ATOM 0 HG LEU A 14 5.410 -5.645 10.842 1.00 74.34 H new ATOM 0 HD11 LEU A 14 7.801 -6.162 11.131 1.00 52.52 H new ATOM 0 HD12 LEU A 14 7.548 -4.846 9.960 1.00 52.52 H new ATOM 0 HD13 LEU A 14 8.104 -4.475 11.610 1.00 52.52 H new ATOM 0 HD21 LEU A 14 6.239 -6.479 13.011 1.00 21.51 H new ATOM 0 HD22 LEU A 14 6.481 -4.803 13.557 1.00 21.51 H new ATOM 0 HD23 LEU A 14 4.840 -5.397 13.212 1.00 21.51 H new ATOM 230 N PRO A 15 3.657 -1.186 12.801 1.00 74.04 N ATOM 231 CA PRO A 15 3.418 0.258 12.897 1.00 33.22 C ATOM 232 C PRO A 15 4.470 1.068 12.141 1.00 4.00 C ATOM 233 O PRO A 15 5.673 0.806 12.243 1.00 24.23 O ATOM 234 CB PRO A 15 3.493 0.540 14.402 1.00 40.21 C ATOM 235 CG PRO A 15 3.185 -0.768 15.046 1.00 15.13 C ATOM 236 CD PRO A 15 3.746 -1.819 14.130 1.00 32.42 C ATOM 0 HA PRO A 15 2.465 0.544 12.451 1.00 33.22 H new ATOM 0 HB2 PRO A 15 4.481 0.900 14.689 1.00 40.21 H new ATOM 0 HB3 PRO A 15 2.776 1.306 14.698 1.00 40.21 H new ATOM 0 HG2 PRO A 15 3.636 -0.832 16.036 1.00 15.13 H new ATOM 0 HG3 PRO A 15 2.110 -0.896 15.176 1.00 15.13 H new ATOM 0 HD2 PRO A 15 4.774 -2.072 14.388 1.00 32.42 H new ATOM 0 HD3 PRO A 15 3.170 -2.743 14.176 1.00 32.42 H new ATOM 244 N GLY A 16 4.002 2.032 11.365 1.00 62.14 N ATOM 245 CA GLY A 16 4.879 2.851 10.556 1.00 53.23 C ATOM 246 C GLY A 16 5.288 2.145 9.280 1.00 63.23 C ATOM 247 O GLY A 16 6.357 2.416 8.730 1.00 10.20 O ATOM 0 H GLY A 16 3.012 2.265 11.281 1.00 62.14 H new ATOM 0 HA2 GLY A 16 4.377 3.787 10.309 1.00 53.23 H new ATOM 0 HA3 GLY A 16 5.769 3.108 11.131 1.00 53.23 H new ATOM 251 N THR A 17 4.431 1.245 8.793 1.00 74.22 N ATOM 252 CA THR A 17 4.792 0.399 7.657 1.00 4.11 C ATOM 253 C THR A 17 3.552 0.031 6.845 1.00 45.43 C ATOM 254 O THR A 17 2.434 0.394 7.212 1.00 14.42 O ATOM 255 CB THR A 17 5.494 -0.900 8.130 1.00 15.33 C ATOM 256 OG1 THR A 17 6.274 -0.638 9.306 1.00 32.43 O ATOM 257 CG2 THR A 17 6.409 -1.459 7.048 1.00 22.13 C ATOM 0 H THR A 17 3.494 1.085 9.163 1.00 74.22 H new ATOM 0 HA THR A 17 5.481 0.967 7.032 1.00 4.11 H new ATOM 0 HB THR A 17 4.718 -1.633 8.350 1.00 15.33 H new ATOM 0 HG1 THR A 17 5.715 -0.755 10.102 1.00 32.43 H new ATOM 0 HG21 THR A 17 6.887 -2.369 7.410 1.00 22.13 H new ATOM 0 HG22 THR A 17 5.823 -1.686 6.157 1.00 22.13 H new ATOM 0 HG23 THR A 17 7.173 -0.722 6.801 1.00 22.13 H new ATOM 265 N GLY A 18 3.753 -0.689 5.747 1.00 74.30 N ATOM 266 CA GLY A 18 2.644 -1.122 4.927 1.00 1.04 C ATOM 267 C GLY A 18 3.104 -1.805 3.658 1.00 54.01 C ATOM 268 O GLY A 18 3.958 -1.279 2.938 1.00 34.40 O ATOM 0 H GLY A 18 4.671 -0.980 5.411 1.00 74.30 H new ATOM 0 HA2 GLY A 18 2.017 -1.806 5.499 1.00 1.04 H new ATOM 0 HA3 GLY A 18 2.026 -0.261 4.671 1.00 1.04 H new ATOM 272 N VAL A 19 2.554 -2.981 3.380 1.00 72.32 N ATOM 273 CA VAL A 19 2.925 -3.727 2.185 1.00 61.35 C ATOM 274 C VAL A 19 1.698 -4.062 1.349 1.00 32.23 C ATOM 275 O VAL A 19 0.569 -3.976 1.835 1.00 71.13 O ATOM 276 CB VAL A 19 3.697 -5.024 2.517 1.00 54.00 C ATOM 277 CG1 VAL A 19 5.028 -4.704 3.187 1.00 50.12 C ATOM 278 CG2 VAL A 19 2.859 -5.947 3.392 1.00 51.41 C ATOM 0 H VAL A 19 1.852 -3.437 3.964 1.00 72.32 H new ATOM 0 HA VAL A 19 3.588 -3.080 1.611 1.00 61.35 H new ATOM 0 HB VAL A 19 3.904 -5.543 1.581 1.00 54.00 H new ATOM 0 HG11 VAL A 19 5.554 -5.632 3.412 1.00 50.12 H new ATOM 0 HG12 VAL A 19 5.635 -4.095 2.517 1.00 50.12 H new ATOM 0 HG13 VAL A 19 4.847 -4.156 4.112 1.00 50.12 H new ATOM 0 HG21 VAL A 19 3.424 -6.853 3.612 1.00 51.41 H new ATOM 0 HG22 VAL A 19 2.611 -5.439 4.324 1.00 51.41 H new ATOM 0 HG23 VAL A 19 1.941 -6.211 2.867 1.00 51.41 H new ATOM 288 N CYS A 20 1.920 -4.409 0.085 1.00 33.53 N ATOM 289 CA CYS A 20 0.828 -4.755 -0.803 1.00 63.40 C ATOM 290 C CYS A 20 0.482 -6.234 -0.704 1.00 31.35 C ATOM 291 O CYS A 20 1.355 -7.082 -0.497 1.00 42.13 O ATOM 292 CB CYS A 20 1.197 -4.404 -2.241 1.00 42.41 C ATOM 293 SG CYS A 20 2.766 -5.112 -2.791 1.00 4.04 S ATOM 0 H CYS A 20 2.845 -4.456 -0.342 1.00 33.53 H new ATOM 0 HA CYS A 20 -0.048 -4.181 -0.501 1.00 63.40 H new ATOM 0 HB2 CYS A 20 0.403 -4.748 -2.903 1.00 42.41 H new ATOM 0 HB3 CYS A 20 1.246 -3.319 -2.338 1.00 42.41 H new ATOM 0 HG CYS A 20 2.566 -5.843 -3.847 1.00 4.04 H new ATOM 299 N ALA A 21 -0.797 -6.529 -0.827 1.00 52.32 N ATOM 300 CA ALA A 21 -1.266 -7.896 -0.897 1.00 74.11 C ATOM 301 C ALA A 21 -2.166 -8.063 -2.109 1.00 25.43 C ATOM 302 O ALA A 21 -2.843 -7.115 -2.523 1.00 13.41 O ATOM 303 CB ALA A 21 -2.006 -8.268 0.380 1.00 15.12 C ATOM 0 H ALA A 21 -1.537 -5.829 -0.881 1.00 52.32 H new ATOM 0 HA ALA A 21 -0.411 -8.565 -0.998 1.00 74.11 H new ATOM 0 HB1 ALA A 21 -2.353 -9.299 0.312 1.00 15.12 H new ATOM 0 HB2 ALA A 21 -1.334 -8.166 1.232 1.00 15.12 H new ATOM 0 HB3 ALA A 21 -2.862 -7.605 0.511 1.00 15.12 H new ATOM 309 N LEU A 22 -2.155 -9.250 -2.690 1.00 64.33 N ATOM 310 CA LEU A 22 -3.016 -9.546 -3.822 1.00 13.45 C ATOM 311 C LEU A 22 -4.429 -9.791 -3.310 1.00 42.42 C ATOM 312 O LEU A 22 -4.764 -10.894 -2.885 1.00 62.24 O ATOM 313 CB LEU A 22 -2.485 -10.769 -4.592 1.00 52.15 C ATOM 314 CG LEU A 22 -2.985 -10.938 -6.038 1.00 21.23 C ATOM 315 CD1 LEU A 22 -4.457 -11.328 -6.085 1.00 2.20 C ATOM 316 CD2 LEU A 22 -2.751 -9.663 -6.833 1.00 60.03 C ATOM 0 H LEU A 22 -1.560 -10.024 -2.397 1.00 64.33 H new ATOM 0 HA LEU A 22 -3.027 -8.703 -4.513 1.00 13.45 H new ATOM 0 HB2 LEU A 22 -1.397 -10.714 -4.611 1.00 52.15 H new ATOM 0 HB3 LEU A 22 -2.749 -11.666 -4.032 1.00 52.15 H new ATOM 0 HG LEU A 22 -2.414 -11.749 -6.490 1.00 21.23 H new ATOM 0 HD11 LEU A 22 -4.771 -11.438 -7.123 1.00 2.20 H new ATOM 0 HD12 LEU A 22 -4.600 -12.273 -5.561 1.00 2.20 H new ATOM 0 HD13 LEU A 22 -5.054 -10.553 -5.605 1.00 2.20 H new ATOM 0 HD21 LEU A 22 -3.110 -9.799 -7.853 1.00 60.03 H new ATOM 0 HD22 LEU A 22 -3.290 -8.839 -6.366 1.00 60.03 H new ATOM 0 HD23 LEU A 22 -1.685 -9.436 -6.851 1.00 60.03 H new ATOM 328 N VAL A 23 -5.241 -8.745 -3.321 1.00 64.14 N ATOM 329 CA VAL A 23 -6.599 -8.838 -2.823 1.00 60.33 C ATOM 330 C VAL A 23 -7.566 -9.113 -3.965 1.00 70.21 C ATOM 331 O VAL A 23 -8.011 -8.188 -4.657 1.00 42.44 O ATOM 332 CB VAL A 23 -7.033 -7.557 -2.077 1.00 3.21 C ATOM 333 CG1 VAL A 23 -8.426 -7.727 -1.491 1.00 40.24 C ATOM 334 CG2 VAL A 23 -6.033 -7.206 -0.987 1.00 14.34 C ATOM 0 H VAL A 23 -4.980 -7.823 -3.670 1.00 64.14 H new ATOM 0 HA VAL A 23 -6.623 -9.665 -2.114 1.00 60.33 H new ATOM 0 HB VAL A 23 -7.059 -6.736 -2.793 1.00 3.21 H new ATOM 0 HG11 VAL A 23 -8.715 -6.815 -0.969 1.00 40.24 H new ATOM 0 HG12 VAL A 23 -9.136 -7.927 -2.293 1.00 40.24 H new ATOM 0 HG13 VAL A 23 -8.426 -8.562 -0.790 1.00 40.24 H new ATOM 0 HG21 VAL A 23 -6.357 -6.301 -0.474 1.00 14.34 H new ATOM 0 HG22 VAL A 23 -5.971 -8.026 -0.272 1.00 14.34 H new ATOM 0 HG23 VAL A 23 -5.053 -7.039 -1.433 1.00 14.34 H new ATOM 344 N GLU A 24 -7.855 -10.395 -4.167 1.00 13.23 N ATOM 345 CA GLU A 24 -8.813 -10.853 -5.170 1.00 52.15 C ATOM 346 C GLU A 24 -8.361 -10.526 -6.597 1.00 32.24 C ATOM 347 O GLU A 24 -7.840 -11.390 -7.306 1.00 54.52 O ATOM 348 CB GLU A 24 -10.197 -10.257 -4.898 1.00 2.04 C ATOM 349 CG GLU A 24 -10.771 -10.656 -3.550 1.00 11.22 C ATOM 350 CD GLU A 24 -10.877 -12.156 -3.391 1.00 23.14 C ATOM 351 OE1 GLU A 24 -11.752 -12.766 -4.040 1.00 13.55 O ATOM 352 OE2 GLU A 24 -10.089 -12.733 -2.617 1.00 14.30 O ATOM 0 H GLU A 24 -7.427 -11.153 -3.635 1.00 13.23 H new ATOM 0 HA GLU A 24 -8.869 -11.939 -5.091 1.00 52.15 H new ATOM 0 HB2 GLU A 24 -10.133 -9.170 -4.950 1.00 2.04 H new ATOM 0 HB3 GLU A 24 -10.882 -10.574 -5.684 1.00 2.04 H new ATOM 0 HG2 GLU A 24 -10.142 -10.253 -2.756 1.00 11.22 H new ATOM 0 HG3 GLU A 24 -11.759 -10.210 -3.432 1.00 11.22 H new ATOM 359 N GLN A 25 -8.555 -9.279 -7.008 1.00 12.23 N ATOM 360 CA GLN A 25 -8.230 -8.854 -8.367 1.00 30.12 C ATOM 361 C GLN A 25 -7.195 -7.733 -8.371 1.00 22.13 C ATOM 362 O GLN A 25 -6.519 -7.512 -9.371 1.00 54.34 O ATOM 363 CB GLN A 25 -9.485 -8.371 -9.109 1.00 42.14 C ATOM 364 CG GLN A 25 -10.309 -9.475 -9.762 1.00 70.24 C ATOM 365 CD GLN A 25 -11.589 -9.807 -9.010 1.00 25.23 C ATOM 366 OE1 GLN A 25 -12.600 -10.165 -9.616 1.00 41.24 O ATOM 367 NE2 GLN A 25 -11.555 -9.707 -7.693 1.00 55.01 N ATOM 0 H GLN A 25 -8.937 -8.540 -6.418 1.00 12.23 H new ATOM 0 HA GLN A 25 -7.816 -9.724 -8.877 1.00 30.12 H new ATOM 0 HB2 GLN A 25 -10.120 -7.831 -8.406 1.00 42.14 H new ATOM 0 HB3 GLN A 25 -9.184 -7.659 -9.878 1.00 42.14 H new ATOM 0 HG2 GLN A 25 -10.563 -9.174 -10.779 1.00 70.24 H new ATOM 0 HG3 GLN A 25 -9.699 -10.375 -9.839 1.00 70.24 H new ATOM 0 HE21 GLN A 25 -10.699 -9.407 -7.226 1.00 55.01 H new ATOM 0 HE22 GLN A 25 -12.385 -9.930 -7.143 1.00 55.01 H new ATOM 376 N GLN A 26 -7.071 -7.026 -7.258 1.00 71.05 N ATOM 377 CA GLN A 26 -6.263 -5.822 -7.218 1.00 31.24 C ATOM 378 C GLN A 26 -5.250 -5.873 -6.078 1.00 15.20 C ATOM 379 O GLN A 26 -5.524 -6.443 -5.023 1.00 72.24 O ATOM 380 CB GLN A 26 -7.181 -4.611 -7.043 1.00 25.53 C ATOM 381 CG GLN A 26 -8.202 -4.450 -8.161 1.00 41.24 C ATOM 382 CD GLN A 26 -9.245 -3.387 -7.871 1.00 52.14 C ATOM 383 OE1 GLN A 26 -9.775 -2.755 -8.782 1.00 53.12 O ATOM 384 NE2 GLN A 26 -9.557 -3.185 -6.600 1.00 4.04 N ATOM 0 H GLN A 26 -7.519 -7.266 -6.374 1.00 71.05 H new ATOM 0 HA GLN A 26 -5.710 -5.741 -8.154 1.00 31.24 H new ATOM 0 HB2 GLN A 26 -7.707 -4.699 -6.093 1.00 25.53 H new ATOM 0 HB3 GLN A 26 -6.571 -3.709 -6.987 1.00 25.53 H new ATOM 0 HG2 GLN A 26 -7.682 -4.197 -9.085 1.00 41.24 H new ATOM 0 HG3 GLN A 26 -8.702 -5.404 -8.328 1.00 41.24 H new ATOM 0 HE21 GLN A 26 -9.097 -3.728 -5.869 1.00 4.04 H new ATOM 0 HE22 GLN A 26 -10.257 -2.486 -6.352 1.00 4.04 H new ATOM 393 N GLN A 27 -4.079 -5.281 -6.289 1.00 42.44 N ATOM 394 CA GLN A 27 -3.093 -5.167 -5.224 1.00 2.51 C ATOM 395 C GLN A 27 -3.410 -3.968 -4.343 1.00 14.00 C ATOM 396 O GLN A 27 -3.643 -2.863 -4.837 1.00 2.14 O ATOM 397 CB GLN A 27 -1.670 -5.040 -5.774 1.00 65.32 C ATOM 398 CG GLN A 27 -1.107 -6.336 -6.332 1.00 5.25 C ATOM 399 CD GLN A 27 0.412 -6.340 -6.360 1.00 2.22 C ATOM 400 OE1 GLN A 27 1.053 -6.738 -5.388 1.00 2.20 O ATOM 401 NE2 GLN A 27 0.999 -5.905 -7.465 1.00 72.41 N ATOM 0 H GLN A 27 -3.792 -4.876 -7.180 1.00 42.44 H new ATOM 0 HA GLN A 27 -3.144 -6.082 -4.634 1.00 2.51 H new ATOM 0 HB2 GLN A 27 -1.661 -4.284 -6.559 1.00 65.32 H new ATOM 0 HB3 GLN A 27 -1.015 -4.683 -4.980 1.00 65.32 H new ATOM 0 HG2 GLN A 27 -1.459 -7.172 -5.728 1.00 5.25 H new ATOM 0 HG3 GLN A 27 -1.487 -6.490 -7.342 1.00 5.25 H new ATOM 0 HE21 GLN A 27 0.433 -5.583 -8.250 1.00 72.41 H new ATOM 0 HE22 GLN A 27 2.017 -5.892 -7.531 1.00 72.41 H new ATOM 410 N ILE A 28 -3.437 -4.194 -3.041 1.00 24.21 N ATOM 411 CA ILE A 28 -3.749 -3.143 -2.091 1.00 52.02 C ATOM 412 C ILE A 28 -2.671 -3.063 -1.017 1.00 43.21 C ATOM 413 O ILE A 28 -2.246 -4.086 -0.480 1.00 62.24 O ATOM 414 CB ILE A 28 -5.132 -3.382 -1.440 1.00 5.41 C ATOM 415 CG1 ILE A 28 -6.235 -3.346 -2.505 1.00 22.53 C ATOM 416 CG2 ILE A 28 -5.407 -2.351 -0.358 1.00 32.51 C ATOM 417 CD1 ILE A 28 -7.623 -3.617 -1.964 1.00 34.35 C ATOM 0 H ILE A 28 -3.245 -5.102 -2.617 1.00 24.21 H new ATOM 0 HA ILE A 28 -3.782 -2.196 -2.630 1.00 52.02 H new ATOM 0 HB ILE A 28 -5.125 -4.368 -0.976 1.00 5.41 H new ATOM 0 HG12 ILE A 28 -6.229 -2.368 -2.987 1.00 22.53 H new ATOM 0 HG13 ILE A 28 -6.006 -4.083 -3.275 1.00 22.53 H new ATOM 0 HG21 ILE A 28 -6.385 -2.540 0.085 1.00 32.51 H new ATOM 0 HG22 ILE A 28 -4.640 -2.420 0.414 1.00 32.51 H new ATOM 0 HG23 ILE A 28 -5.393 -1.353 -0.795 1.00 32.51 H new ATOM 0 HD11 ILE A 28 -8.346 -3.574 -2.779 1.00 34.35 H new ATOM 0 HD12 ILE A 28 -7.649 -4.607 -1.508 1.00 34.35 H new ATOM 0 HD13 ILE A 28 -7.875 -2.866 -1.215 1.00 34.35 H new ATOM 429 N ALA A 29 -2.220 -1.851 -0.733 1.00 32.30 N ATOM 430 CA ALA A 29 -1.204 -1.621 0.279 1.00 52.31 C ATOM 431 C ALA A 29 -1.849 -1.062 1.536 1.00 30.10 C ATOM 432 O ALA A 29 -2.759 -0.239 1.454 1.00 34.50 O ATOM 433 CB ALA A 29 -0.147 -0.668 -0.246 1.00 70.15 C ATOM 0 H ALA A 29 -2.547 -1.003 -1.196 1.00 32.30 H new ATOM 0 HA ALA A 29 -0.721 -2.567 0.523 1.00 52.31 H new ATOM 0 HB1 ALA A 29 0.609 -0.504 0.522 1.00 70.15 H new ATOM 0 HB2 ALA A 29 0.323 -1.097 -1.131 1.00 70.15 H new ATOM 0 HB3 ALA A 29 -0.612 0.283 -0.507 1.00 70.15 H new ATOM 439 N VAL A 30 -1.382 -1.502 2.692 1.00 73.12 N ATOM 440 CA VAL A 30 -2.010 -1.110 3.953 1.00 53.22 C ATOM 441 C VAL A 30 -1.076 -0.255 4.801 1.00 74.02 C ATOM 442 O VAL A 30 -0.170 -0.771 5.449 1.00 45.02 O ATOM 443 CB VAL A 30 -2.445 -2.343 4.778 1.00 2.13 C ATOM 444 CG1 VAL A 30 -3.181 -1.918 6.042 1.00 53.32 C ATOM 445 CG2 VAL A 30 -3.313 -3.269 3.943 1.00 33.33 C ATOM 0 H VAL A 30 -0.580 -2.124 2.789 1.00 73.12 H new ATOM 0 HA VAL A 30 -2.891 -0.526 3.689 1.00 53.22 H new ATOM 0 HB VAL A 30 -1.547 -2.886 5.072 1.00 2.13 H new ATOM 0 HG11 VAL A 30 -3.477 -2.803 6.606 1.00 53.32 H new ATOM 0 HG12 VAL A 30 -2.525 -1.300 6.655 1.00 53.32 H new ATOM 0 HG13 VAL A 30 -4.069 -1.347 5.771 1.00 53.32 H new ATOM 0 HG21 VAL A 30 -3.608 -4.130 4.543 1.00 33.33 H new ATOM 0 HG22 VAL A 30 -4.204 -2.734 3.613 1.00 33.33 H new ATOM 0 HG23 VAL A 30 -2.751 -3.608 3.073 1.00 33.33 H new ATOM 455 N PHE A 31 -1.304 1.049 4.788 1.00 24.11 N ATOM 456 CA PHE A 31 -0.537 1.976 5.608 1.00 63.41 C ATOM 457 C PHE A 31 -0.952 1.848 7.065 1.00 14.10 C ATOM 458 O PHE A 31 -2.110 2.096 7.400 1.00 62.10 O ATOM 459 CB PHE A 31 -0.784 3.426 5.176 1.00 54.30 C ATOM 460 CG PHE A 31 -0.390 3.759 3.765 1.00 31.25 C ATOM 461 CD1 PHE A 31 -1.231 3.463 2.704 1.00 71.21 C ATOM 462 CD2 PHE A 31 0.811 4.397 3.505 1.00 74.34 C ATOM 463 CE1 PHE A 31 -0.878 3.791 1.411 1.00 62.10 C ATOM 464 CE2 PHE A 31 1.166 4.732 2.214 1.00 15.42 C ATOM 465 CZ PHE A 31 0.320 4.427 1.166 1.00 54.44 C ATOM 0 H PHE A 31 -2.020 1.493 4.213 1.00 24.11 H new ATOM 0 HA PHE A 31 0.517 1.729 5.484 1.00 63.41 H new ATOM 0 HB2 PHE A 31 -1.844 3.648 5.300 1.00 54.30 H new ATOM 0 HB3 PHE A 31 -0.239 4.085 5.852 1.00 54.30 H new ATOM 0 HD1 PHE A 31 -2.173 2.970 2.891 1.00 71.21 H new ATOM 0 HD2 PHE A 31 1.477 4.635 4.321 1.00 74.34 H new ATOM 0 HE1 PHE A 31 -1.540 3.550 0.592 1.00 62.10 H new ATOM 0 HE2 PHE A 31 2.104 5.232 2.024 1.00 15.42 H new ATOM 0 HZ PHE A 31 0.597 4.687 0.155 1.00 54.44 H new ATOM 475 N ARG A 32 -0.031 1.462 7.932 1.00 14.35 N ATOM 476 CA ARG A 32 -0.315 1.489 9.355 1.00 5.35 C ATOM 477 C ARG A 32 0.518 2.557 10.036 1.00 72.23 C ATOM 478 O ARG A 32 1.711 2.378 10.237 1.00 72.24 O ATOM 479 CB ARG A 32 -0.085 0.134 10.026 1.00 43.22 C ATOM 480 CG ARG A 32 -0.677 0.086 11.427 1.00 51.21 C ATOM 481 CD ARG A 32 -0.559 -1.284 12.076 1.00 64.15 C ATOM 482 NE ARG A 32 -1.322 -1.348 13.326 1.00 54.43 N ATOM 483 CZ ARG A 32 -1.100 -2.226 14.306 1.00 70.54 C ATOM 484 NH1 ARG A 32 -0.125 -3.122 14.212 1.00 74.34 N ATOM 485 NH2 ARG A 32 -1.870 -2.210 15.386 1.00 41.34 N ATOM 0 H ARG A 32 0.901 1.133 7.682 1.00 14.35 H new ATOM 0 HA ARG A 32 -1.373 1.725 9.464 1.00 5.35 H new ATOM 0 HB2 ARG A 32 -0.530 -0.653 9.417 1.00 43.22 H new ATOM 0 HB3 ARG A 32 0.985 -0.069 10.077 1.00 43.22 H new ATOM 0 HG2 ARG A 32 -0.174 0.823 12.053 1.00 51.21 H new ATOM 0 HG3 ARG A 32 -1.728 0.371 11.381 1.00 51.21 H new ATOM 0 HD2 ARG A 32 -0.920 -2.048 11.387 1.00 64.15 H new ATOM 0 HD3 ARG A 32 0.489 -1.505 12.276 1.00 64.15 H new ATOM 0 HE ARG A 32 -2.076 -0.674 13.456 1.00 54.43 H new ATOM 0 HH11 ARG A 32 0.467 -3.146 13.382 1.00 74.34 H new ATOM 0 HH12 ARG A 32 0.032 -3.786 14.970 1.00 74.34 H new ATOM 0 HH21 ARG A 32 -2.626 -1.530 15.463 1.00 41.34 H new ATOM 0 HH22 ARG A 32 -1.706 -2.878 16.139 1.00 41.34 H new ATOM 499 N PRO A 33 -0.099 3.697 10.375 1.00 50.32 N ATOM 500 CA PRO A 33 0.592 4.804 11.040 1.00 3.30 C ATOM 501 C PRO A 33 0.960 4.471 12.486 1.00 74.25 C ATOM 502 O PRO A 33 2.124 4.548 12.876 1.00 3.04 O ATOM 503 CB PRO A 33 -0.427 5.955 11.002 1.00 1.40 C ATOM 504 CG PRO A 33 -1.504 5.512 10.066 1.00 51.51 C ATOM 505 CD PRO A 33 -1.511 4.013 10.124 1.00 5.51 C ATOM 0 HA PRO A 33 1.535 5.041 10.547 1.00 3.30 H new ATOM 0 HB2 PRO A 33 -0.829 6.154 11.995 1.00 1.40 H new ATOM 0 HB3 PRO A 33 0.038 6.878 10.655 1.00 1.40 H new ATOM 0 HG2 PRO A 33 -2.471 5.919 10.363 1.00 51.51 H new ATOM 0 HG3 PRO A 33 -1.309 5.862 9.053 1.00 51.51 H new ATOM 0 HD2 PRO A 33 -2.157 3.641 10.919 1.00 5.51 H new ATOM 0 HD3 PRO A 33 -1.866 3.573 9.192 1.00 5.51 H new ATOM 513 N ARG A 34 -0.039 4.081 13.271 1.00 64.34 N ATOM 514 CA ARG A 34 0.160 3.785 14.686 1.00 31.54 C ATOM 515 C ARG A 34 -0.289 2.365 15.001 1.00 61.45 C ATOM 516 O ARG A 34 -0.673 1.619 14.105 1.00 22.01 O ATOM 517 CB ARG A 34 -0.627 4.770 15.555 1.00 73.11 C ATOM 518 CG ARG A 34 -0.107 6.196 15.509 1.00 51.14 C ATOM 519 CD ARG A 34 -1.015 7.136 16.286 1.00 23.22 C ATOM 520 NE ARG A 34 -1.283 6.645 17.637 1.00 74.33 N ATOM 521 CZ ARG A 34 -2.412 6.881 18.305 1.00 72.12 C ATOM 522 NH1 ARG A 34 -3.381 7.608 17.751 1.00 70.13 N ATOM 523 NH2 ARG A 34 -2.571 6.375 19.524 1.00 52.21 N ATOM 0 H ARG A 34 -1.000 3.962 12.949 1.00 64.34 H new ATOM 0 HA ARG A 34 1.223 3.883 14.906 1.00 31.54 H new ATOM 0 HB2 ARG A 34 -1.669 4.765 15.236 1.00 73.11 H new ATOM 0 HB3 ARG A 34 -0.608 4.422 16.588 1.00 73.11 H new ATOM 0 HG2 ARG A 34 0.900 6.233 15.924 1.00 51.14 H new ATOM 0 HG3 ARG A 34 -0.037 6.527 14.473 1.00 51.14 H new ATOM 0 HD2 ARG A 34 -0.553 8.122 16.343 1.00 23.22 H new ATOM 0 HD3 ARG A 34 -1.957 7.256 15.750 1.00 23.22 H new ATOM 0 HE ARG A 34 -0.562 6.088 18.096 1.00 74.33 H new ATOM 0 HH11 ARG A 34 -3.261 7.987 16.812 1.00 70.13 H new ATOM 0 HH12 ARG A 34 -4.243 7.786 18.266 1.00 70.13 H new ATOM 0 HH21 ARG A 34 -1.832 5.810 19.942 1.00 52.21 H new ATOM 0 HH22 ARG A 34 -3.432 6.551 20.041 1.00 52.21 H new ATOM 537 N ASN A 35 -0.255 2.009 16.282 1.00 11.04 N ATOM 538 CA ASN A 35 -0.715 0.697 16.744 1.00 73.52 C ATOM 539 C ASN A 35 -2.245 0.668 16.838 1.00 71.21 C ATOM 540 O ASN A 35 -2.837 -0.249 17.408 1.00 21.42 O ATOM 541 CB ASN A 35 -0.098 0.377 18.113 1.00 73.23 C ATOM 542 CG ASN A 35 -0.290 -1.072 18.533 1.00 24.30 C ATOM 543 OD1 ASN A 35 -0.310 -1.980 17.702 1.00 72.01 O ATOM 544 ND2 ASN A 35 -0.436 -1.300 19.830 1.00 54.33 N ATOM 0 H ASN A 35 0.089 2.615 17.027 1.00 11.04 H new ATOM 0 HA ASN A 35 -0.397 -0.057 16.024 1.00 73.52 H new ATOM 0 HB2 ASN A 35 0.968 0.602 18.085 1.00 73.23 H new ATOM 0 HB3 ASN A 35 -0.542 1.029 18.866 1.00 73.23 H new ATOM 0 HD21 ASN A 35 -0.570 -2.253 20.168 1.00 54.33 H new ATOM 0 HD22 ASN A 35 -0.414 -0.523 20.490 1.00 54.33 H new ATOM 551 N ASP A 36 -2.880 1.680 16.260 1.00 4.30 N ATOM 552 CA ASP A 36 -4.336 1.773 16.237 1.00 51.13 C ATOM 553 C ASP A 36 -4.890 0.803 15.198 1.00 61.05 C ATOM 554 O ASP A 36 -4.128 0.119 14.507 1.00 71.41 O ATOM 555 CB ASP A 36 -4.764 3.211 15.902 1.00 24.54 C ATOM 556 CG ASP A 36 -6.214 3.516 16.242 1.00 31.03 C ATOM 557 OD1 ASP A 36 -7.112 3.174 15.445 1.00 62.33 O ATOM 558 OD2 ASP A 36 -6.462 4.130 17.296 1.00 71.32 O ATOM 0 H ASP A 36 -2.405 2.455 15.797 1.00 4.30 H new ATOM 0 HA ASP A 36 -4.732 1.511 17.218 1.00 51.13 H new ATOM 0 HB2 ASP A 36 -4.120 3.906 16.441 1.00 24.54 H new ATOM 0 HB3 ASP A 36 -4.605 3.389 14.838 1.00 24.54 H new ATOM 563 N GLU A 37 -6.203 0.755 15.083 1.00 64.33 N ATOM 564 CA GLU A 37 -6.860 -0.105 14.115 1.00 72.43 C ATOM 565 C GLU A 37 -7.111 0.655 12.821 1.00 11.04 C ATOM 566 O GLU A 37 -7.271 0.056 11.757 1.00 55.10 O ATOM 567 CB GLU A 37 -8.185 -0.625 14.665 1.00 5.30 C ATOM 568 CG GLU A 37 -8.040 -1.480 15.912 1.00 44.41 C ATOM 569 CD GLU A 37 -9.342 -2.140 16.315 1.00 64.31 C ATOM 570 OE1 GLU A 37 -10.205 -1.452 16.901 1.00 60.24 O ATOM 571 OE2 GLU A 37 -9.510 -3.349 16.048 1.00 30.30 O ATOM 0 H GLU A 37 -6.843 1.307 15.654 1.00 64.33 H new ATOM 0 HA GLU A 37 -6.204 -0.953 13.916 1.00 72.43 H new ATOM 0 HB2 GLU A 37 -8.831 0.223 14.891 1.00 5.30 H new ATOM 0 HB3 GLU A 37 -8.684 -1.209 13.892 1.00 5.30 H new ATOM 0 HG2 GLU A 37 -7.286 -2.247 15.737 1.00 44.41 H new ATOM 0 HG3 GLU A 37 -7.680 -0.861 16.734 1.00 44.41 H new ATOM 578 N GLN A 38 -7.155 1.978 12.924 1.00 33.01 N ATOM 579 CA GLN A 38 -7.391 2.821 11.765 1.00 52.31 C ATOM 580 C GLN A 38 -6.167 2.853 10.861 1.00 72.34 C ATOM 581 O GLN A 38 -5.195 3.567 11.124 1.00 3.32 O ATOM 582 CB GLN A 38 -7.770 4.243 12.182 1.00 30.55 C ATOM 583 CG GLN A 38 -9.056 4.325 12.988 1.00 63.32 C ATOM 584 CD GLN A 38 -9.522 5.752 13.185 1.00 34.41 C ATOM 585 OE1 GLN A 38 -10.282 6.282 12.376 1.00 41.52 O ATOM 586 NE2 GLN A 38 -9.067 6.387 14.253 1.00 73.12 N ATOM 0 H GLN A 38 -7.030 2.487 13.799 1.00 33.01 H new ATOM 0 HA GLN A 38 -8.226 2.391 11.212 1.00 52.31 H new ATOM 0 HB2 GLN A 38 -6.956 4.668 12.770 1.00 30.55 H new ATOM 0 HB3 GLN A 38 -7.873 4.858 11.288 1.00 30.55 H new ATOM 0 HG2 GLN A 38 -9.836 3.757 12.481 1.00 63.32 H new ATOM 0 HG3 GLN A 38 -8.903 3.858 13.961 1.00 63.32 H new ATOM 0 HE21 GLN A 38 -8.438 5.911 14.900 1.00 73.12 H new ATOM 0 HE22 GLN A 38 -9.345 7.352 14.429 1.00 73.12 H new ATOM 595 N VAL A 39 -6.216 2.048 9.815 1.00 54.31 N ATOM 596 CA VAL A 39 -5.155 1.997 8.830 1.00 13.13 C ATOM 597 C VAL A 39 -5.668 2.483 7.484 1.00 44.31 C ATOM 598 O VAL A 39 -6.843 2.824 7.349 1.00 51.14 O ATOM 599 CB VAL A 39 -4.591 0.571 8.677 1.00 12.33 C ATOM 600 CG1 VAL A 39 -3.922 0.118 9.963 1.00 61.43 C ATOM 601 CG2 VAL A 39 -5.689 -0.402 8.271 1.00 41.02 C ATOM 0 H VAL A 39 -6.992 1.413 9.626 1.00 54.31 H new ATOM 0 HA VAL A 39 -4.352 2.647 9.177 1.00 13.13 H new ATOM 0 HB VAL A 39 -3.839 0.585 7.888 1.00 12.33 H new ATOM 0 HG11 VAL A 39 -3.531 -0.891 9.834 1.00 61.43 H new ATOM 0 HG12 VAL A 39 -3.104 0.796 10.206 1.00 61.43 H new ATOM 0 HG13 VAL A 39 -4.651 0.123 10.774 1.00 61.43 H new ATOM 0 HG21 VAL A 39 -5.269 -1.403 8.169 1.00 41.02 H new ATOM 0 HG22 VAL A 39 -6.467 -0.412 9.034 1.00 41.02 H new ATOM 0 HG23 VAL A 39 -6.118 -0.090 7.319 1.00 41.02 H new ATOM 611 N TYR A 40 -4.793 2.510 6.493 1.00 63.34 N ATOM 612 CA TYR A 40 -5.163 2.975 5.167 1.00 23.53 C ATOM 613 C TYR A 40 -4.818 1.930 4.122 1.00 12.24 C ATOM 614 O TYR A 40 -3.661 1.781 3.740 1.00 21.14 O ATOM 615 CB TYR A 40 -4.455 4.292 4.848 1.00 21.14 C ATOM 616 CG TYR A 40 -4.854 5.429 5.764 1.00 32.31 C ATOM 617 CD1 TYR A 40 -5.939 6.242 5.463 1.00 13.42 C ATOM 618 CD2 TYR A 40 -4.148 5.683 6.936 1.00 22.21 C ATOM 619 CE1 TYR A 40 -6.307 7.277 6.303 1.00 13.52 C ATOM 620 CE2 TYR A 40 -4.511 6.715 7.779 1.00 2.12 C ATOM 621 CZ TYR A 40 -5.592 7.508 7.459 1.00 65.43 C ATOM 622 OH TYR A 40 -5.954 8.538 8.298 1.00 54.30 O ATOM 0 H TYR A 40 -3.821 2.215 6.582 1.00 63.34 H new ATOM 0 HA TYR A 40 -6.240 3.143 5.150 1.00 23.53 H new ATOM 0 HB2 TYR A 40 -3.378 4.142 4.916 1.00 21.14 H new ATOM 0 HB3 TYR A 40 -4.673 4.572 3.818 1.00 21.14 H new ATOM 0 HD1 TYR A 40 -6.504 6.063 4.560 1.00 13.42 H new ATOM 0 HD2 TYR A 40 -3.302 5.062 7.191 1.00 22.21 H new ATOM 0 HE1 TYR A 40 -7.152 7.902 6.054 1.00 13.52 H new ATOM 0 HE2 TYR A 40 -3.951 6.900 8.684 1.00 2.12 H new ATOM 0 HH TYR A 40 -5.717 8.307 9.221 1.00 54.30 H new ATOM 632 N ALA A 41 -5.820 1.195 3.685 1.00 44.13 N ATOM 633 CA ALA A 41 -5.621 0.159 2.692 1.00 51.13 C ATOM 634 C ALA A 41 -6.093 0.635 1.327 1.00 3.24 C ATOM 635 O ALA A 41 -7.281 0.576 1.008 1.00 70.34 O ATOM 636 CB ALA A 41 -6.341 -1.116 3.102 1.00 23.22 C ATOM 0 H ALA A 41 -6.784 1.296 4.003 1.00 44.13 H new ATOM 0 HA ALA A 41 -4.555 -0.060 2.626 1.00 51.13 H new ATOM 0 HB1 ALA A 41 -6.181 -1.884 2.345 1.00 23.22 H new ATOM 0 HB2 ALA A 41 -5.950 -1.463 4.059 1.00 23.22 H new ATOM 0 HB3 ALA A 41 -7.408 -0.917 3.197 1.00 23.22 H new ATOM 642 N ILE A 42 -5.159 1.122 0.526 1.00 53.41 N ATOM 643 CA ILE A 42 -5.490 1.674 -0.777 1.00 20.42 C ATOM 644 C ILE A 42 -4.575 1.097 -1.851 1.00 21.24 C ATOM 645 O ILE A 42 -3.602 0.407 -1.546 1.00 42.43 O ATOM 646 CB ILE A 42 -5.376 3.217 -0.793 1.00 32.34 C ATOM 647 CG1 ILE A 42 -3.933 3.650 -0.524 1.00 50.43 C ATOM 648 CG2 ILE A 42 -6.318 3.837 0.231 1.00 22.12 C ATOM 649 CD1 ILE A 42 -3.704 5.142 -0.670 1.00 61.44 C ATOM 0 H ILE A 42 -4.165 1.146 0.756 1.00 53.41 H new ATOM 0 HA ILE A 42 -6.524 1.400 -0.985 1.00 20.42 H new ATOM 0 HB ILE A 42 -5.665 3.571 -1.782 1.00 32.34 H new ATOM 0 HG12 ILE A 42 -3.655 3.346 0.485 1.00 50.43 H new ATOM 0 HG13 ILE A 42 -3.271 3.121 -1.210 1.00 50.43 H new ATOM 0 HG21 ILE A 42 -6.222 4.922 0.203 1.00 22.12 H new ATOM 0 HG22 ILE A 42 -7.345 3.557 -0.003 1.00 22.12 H new ATOM 0 HG23 ILE A 42 -6.062 3.475 1.227 1.00 22.12 H new ATOM 0 HD11 ILE A 42 -2.659 5.372 -0.464 1.00 61.44 H new ATOM 0 HD12 ILE A 42 -3.950 5.450 -1.686 1.00 61.44 H new ATOM 0 HD13 ILE A 42 -4.339 5.678 0.035 1.00 61.44 H new ATOM 661 N SER A 43 -4.878 1.386 -3.104 1.00 21.54 N ATOM 662 CA SER A 43 -4.061 0.913 -4.205 1.00 23.43 C ATOM 663 C SER A 43 -2.949 1.910 -4.501 1.00 53.11 C ATOM 664 O SER A 43 -3.114 2.814 -5.320 1.00 54.21 O ATOM 665 CB SER A 43 -4.920 0.685 -5.446 1.00 14.25 C ATOM 666 OG SER A 43 -5.897 -0.315 -5.212 1.00 1.20 O ATOM 0 H SER A 43 -5.684 1.946 -3.383 1.00 21.54 H new ATOM 0 HA SER A 43 -3.609 -0.037 -3.921 1.00 23.43 H new ATOM 0 HB2 SER A 43 -5.409 1.617 -5.730 1.00 14.25 H new ATOM 0 HB3 SER A 43 -4.286 0.390 -6.282 1.00 14.25 H new ATOM 0 HG SER A 43 -6.436 -0.442 -6.021 1.00 1.20 H new ATOM 672 N ASN A 44 -1.834 1.758 -3.800 1.00 52.33 N ATOM 673 CA ASN A 44 -0.678 2.625 -3.988 1.00 54.23 C ATOM 674 C ASN A 44 0.552 1.786 -4.310 1.00 5.42 C ATOM 675 O ASN A 44 1.346 1.444 -3.429 1.00 41.54 O ATOM 676 CB ASN A 44 -0.445 3.483 -2.741 1.00 42.02 C ATOM 677 CG ASN A 44 0.687 4.476 -2.915 1.00 42.24 C ATOM 678 OD1 ASN A 44 0.989 4.904 -4.025 1.00 3.22 O ATOM 679 ND2 ASN A 44 1.312 4.860 -1.814 1.00 61.44 N ATOM 0 H ASN A 44 -1.705 1.037 -3.091 1.00 52.33 H new ATOM 0 HA ASN A 44 -0.868 3.295 -4.826 1.00 54.23 H new ATOM 0 HB2 ASN A 44 -1.361 4.022 -2.500 1.00 42.02 H new ATOM 0 HB3 ASN A 44 -0.225 2.833 -1.894 1.00 42.02 H new ATOM 0 HD21 ASN A 44 2.075 5.535 -1.870 1.00 61.44 H new ATOM 0 HD22 ASN A 44 1.031 4.481 -0.910 1.00 61.44 H new ATOM 686 N ILE A 45 0.676 1.422 -5.577 1.00 51.51 N ATOM 687 CA ILE A 45 1.739 0.542 -6.032 1.00 61.34 C ATOM 688 C ILE A 45 2.559 1.233 -7.112 1.00 25.42 C ATOM 689 O ILE A 45 2.008 1.948 -7.947 1.00 62.01 O ATOM 690 CB ILE A 45 1.155 -0.769 -6.613 1.00 33.34 C ATOM 691 CG1 ILE A 45 0.223 -1.447 -5.603 1.00 2.41 C ATOM 692 CG2 ILE A 45 2.263 -1.720 -7.037 1.00 2.44 C ATOM 693 CD1 ILE A 45 0.894 -1.794 -4.294 1.00 13.41 C ATOM 0 H ILE A 45 0.044 1.728 -6.317 1.00 51.51 H new ATOM 0 HA ILE A 45 2.371 0.306 -5.176 1.00 61.34 H new ATOM 0 HB ILE A 45 0.572 -0.510 -7.497 1.00 33.34 H new ATOM 0 HG12 ILE A 45 -0.623 -0.789 -5.404 1.00 2.41 H new ATOM 0 HG13 ILE A 45 -0.179 -2.357 -6.047 1.00 2.41 H new ATOM 0 HG21 ILE A 45 1.825 -2.632 -7.441 1.00 2.44 H new ATOM 0 HG22 ILE A 45 2.879 -1.244 -7.800 1.00 2.44 H new ATOM 0 HG23 ILE A 45 2.881 -1.966 -6.174 1.00 2.44 H new ATOM 0 HD11 ILE A 45 0.172 -2.270 -3.630 1.00 13.41 H new ATOM 0 HD12 ILE A 45 1.723 -2.477 -4.480 1.00 13.41 H new ATOM 0 HD13 ILE A 45 1.272 -0.885 -3.826 1.00 13.41 H new ATOM 705 N ASP A 46 3.866 1.029 -7.091 1.00 61.42 N ATOM 706 CA ASP A 46 4.728 1.585 -8.123 1.00 15.14 C ATOM 707 C ASP A 46 4.924 0.558 -9.229 1.00 10.32 C ATOM 708 O ASP A 46 5.364 -0.563 -8.967 1.00 40.15 O ATOM 709 CB ASP A 46 6.079 1.988 -7.539 1.00 61.32 C ATOM 710 CG ASP A 46 6.898 2.823 -8.502 1.00 15.54 C ATOM 711 OD1 ASP A 46 7.463 2.255 -9.462 1.00 55.21 O ATOM 712 OD2 ASP A 46 6.978 4.051 -8.300 1.00 43.51 O ATOM 0 H ASP A 46 4.351 0.487 -6.376 1.00 61.42 H new ATOM 0 HA ASP A 46 4.254 2.476 -8.534 1.00 15.14 H new ATOM 0 HB2 ASP A 46 5.921 2.550 -6.619 1.00 61.32 H new ATOM 0 HB3 ASP A 46 6.639 1.091 -7.273 1.00 61.32 H new ATOM 717 N PRO A 47 4.600 0.924 -10.477 1.00 3.53 N ATOM 718 CA PRO A 47 4.648 0.002 -11.621 1.00 51.04 C ATOM 719 C PRO A 47 6.058 -0.496 -11.944 1.00 54.53 C ATOM 720 O PRO A 47 6.229 -1.409 -12.751 1.00 24.03 O ATOM 721 CB PRO A 47 4.101 0.836 -12.787 1.00 61.20 C ATOM 722 CG PRO A 47 3.414 1.999 -12.156 1.00 63.51 C ATOM 723 CD PRO A 47 4.149 2.265 -10.878 1.00 24.35 C ATOM 0 HA PRO A 47 4.077 -0.904 -11.414 1.00 51.04 H new ATOM 0 HB2 PRO A 47 4.905 1.165 -13.445 1.00 61.20 H new ATOM 0 HB3 PRO A 47 3.409 0.254 -13.395 1.00 61.20 H new ATOM 0 HG2 PRO A 47 3.440 2.870 -12.810 1.00 63.51 H new ATOM 0 HG3 PRO A 47 2.365 1.776 -11.964 1.00 63.51 H new ATOM 0 HD2 PRO A 47 4.987 2.946 -11.027 1.00 24.35 H new ATOM 0 HD3 PRO A 47 3.502 2.716 -10.126 1.00 24.35 H new ATOM 731 N PHE A 48 7.066 0.102 -11.320 1.00 33.54 N ATOM 732 CA PHE A 48 8.446 -0.304 -11.549 1.00 35.34 C ATOM 733 C PHE A 48 8.898 -1.309 -10.487 1.00 61.33 C ATOM 734 O PHE A 48 9.922 -1.976 -10.645 1.00 12.41 O ATOM 735 CB PHE A 48 9.365 0.928 -11.548 1.00 42.41 C ATOM 736 CG PHE A 48 10.799 0.630 -11.887 1.00 24.34 C ATOM 737 CD1 PHE A 48 11.169 0.347 -13.190 1.00 54.42 C ATOM 738 CD2 PHE A 48 11.774 0.634 -10.904 1.00 3.43 C ATOM 739 CE1 PHE A 48 12.485 0.070 -13.506 1.00 4.23 C ATOM 740 CE2 PHE A 48 13.092 0.358 -11.213 1.00 32.44 C ATOM 741 CZ PHE A 48 13.447 0.076 -12.516 1.00 1.33 C ATOM 0 H PHE A 48 6.954 0.867 -10.654 1.00 33.54 H new ATOM 0 HA PHE A 48 8.508 -0.789 -12.523 1.00 35.34 H new ATOM 0 HB2 PHE A 48 8.979 1.656 -12.262 1.00 42.41 H new ATOM 0 HB3 PHE A 48 9.326 1.395 -10.564 1.00 42.41 H new ATOM 0 HD1 PHE A 48 10.421 0.343 -13.969 1.00 54.42 H new ATOM 0 HD2 PHE A 48 11.501 0.856 -9.883 1.00 3.43 H new ATOM 0 HE1 PHE A 48 12.761 -0.151 -14.527 1.00 4.23 H new ATOM 0 HE2 PHE A 48 13.843 0.363 -10.436 1.00 32.44 H new ATOM 0 HZ PHE A 48 14.476 -0.140 -12.761 1.00 1.33 H new ATOM 751 N ALA A 49 8.116 -1.441 -9.420 1.00 22.31 N ATOM 752 CA ALA A 49 8.508 -2.286 -8.298 1.00 74.41 C ATOM 753 C ALA A 49 7.483 -3.380 -8.032 1.00 11.24 C ATOM 754 O ALA A 49 7.820 -4.427 -7.480 1.00 12.44 O ATOM 755 CB ALA A 49 8.713 -1.443 -7.049 1.00 53.14 C ATOM 0 H ALA A 49 7.214 -0.978 -9.309 1.00 22.31 H new ATOM 0 HA ALA A 49 9.448 -2.770 -8.562 1.00 74.41 H new ATOM 0 HB1 ALA A 49 9.005 -2.087 -6.219 1.00 53.14 H new ATOM 0 HB2 ALA A 49 9.497 -0.707 -7.231 1.00 53.14 H new ATOM 0 HB3 ALA A 49 7.784 -0.930 -6.800 1.00 53.14 H new ATOM 761 N GLN A 50 6.232 -3.110 -8.410 1.00 51.42 N ATOM 762 CA GLN A 50 5.118 -4.050 -8.232 1.00 24.44 C ATOM 763 C GLN A 50 4.770 -4.237 -6.751 1.00 43.30 C ATOM 764 O GLN A 50 4.011 -5.135 -6.390 1.00 44.21 O ATOM 765 CB GLN A 50 5.430 -5.410 -8.869 1.00 13.11 C ATOM 766 CG GLN A 50 5.705 -5.349 -10.364 1.00 52.31 C ATOM 767 CD GLN A 50 4.539 -4.790 -11.157 1.00 24.41 C ATOM 768 OE1 GLN A 50 3.378 -4.941 -10.777 1.00 33.34 O ATOM 769 NE2 GLN A 50 4.844 -4.146 -12.270 1.00 25.22 N ATOM 0 H GLN A 50 5.960 -2.231 -8.850 1.00 51.42 H new ATOM 0 HA GLN A 50 4.254 -3.617 -8.737 1.00 24.44 H new ATOM 0 HB2 GLN A 50 6.296 -5.843 -8.369 1.00 13.11 H new ATOM 0 HB3 GLN A 50 4.591 -6.083 -8.692 1.00 13.11 H new ATOM 0 HG2 GLN A 50 6.587 -4.733 -10.541 1.00 52.31 H new ATOM 0 HG3 GLN A 50 5.938 -6.350 -10.727 1.00 52.31 H new ATOM 0 HE21 GLN A 50 5.820 -4.043 -12.549 1.00 25.22 H new ATOM 0 HE22 GLN A 50 4.104 -3.752 -12.850 1.00 25.22 H new ATOM 778 N ALA A 51 5.312 -3.367 -5.909 1.00 71.00 N ATOM 779 CA ALA A 51 5.100 -3.442 -4.470 1.00 3.15 C ATOM 780 C ALA A 51 4.748 -2.075 -3.907 1.00 21.35 C ATOM 781 O ALA A 51 4.747 -1.069 -4.627 1.00 1.41 O ATOM 782 CB ALA A 51 6.342 -3.991 -3.783 1.00 65.32 C ATOM 0 H ALA A 51 5.908 -2.593 -6.203 1.00 71.00 H new ATOM 0 HA ALA A 51 4.265 -4.117 -4.280 1.00 3.15 H new ATOM 0 HB1 ALA A 51 6.171 -4.042 -2.708 1.00 65.32 H new ATOM 0 HB2 ALA A 51 6.557 -4.989 -4.164 1.00 65.32 H new ATOM 0 HB3 ALA A 51 7.189 -3.335 -3.985 1.00 65.32 H new ATOM 788 N SER A 52 4.475 -2.043 -2.617 1.00 35.24 N ATOM 789 CA SER A 52 4.068 -0.828 -1.934 1.00 23.12 C ATOM 790 C SER A 52 5.270 0.042 -1.570 1.00 3.23 C ATOM 791 O SER A 52 5.368 0.547 -0.452 1.00 13.03 O ATOM 792 CB SER A 52 3.305 -1.210 -0.673 1.00 0.22 C ATOM 793 OG SER A 52 4.054 -2.134 0.094 1.00 4.00 O ATOM 0 H SER A 52 4.529 -2.861 -2.010 1.00 35.24 H new ATOM 0 HA SER A 52 3.433 -0.247 -2.603 1.00 23.12 H new ATOM 0 HB2 SER A 52 3.099 -0.319 -0.081 1.00 0.22 H new ATOM 0 HB3 SER A 52 2.342 -1.645 -0.940 1.00 0.22 H new ATOM 0 HG SER A 52 4.627 -1.648 0.723 1.00 4.00 H new ATOM 799 N VAL A 53 6.164 0.256 -2.526 1.00 42.24 N ATOM 800 CA VAL A 53 7.358 1.055 -2.273 1.00 34.25 C ATOM 801 C VAL A 53 6.975 2.518 -2.098 1.00 3.45 C ATOM 802 O VAL A 53 7.698 3.298 -1.480 1.00 5.32 O ATOM 803 CB VAL A 53 8.404 0.915 -3.400 1.00 55.13 C ATOM 804 CG1 VAL A 53 8.895 -0.521 -3.493 1.00 44.03 C ATOM 805 CG2 VAL A 53 7.836 1.372 -4.732 1.00 73.03 C ATOM 0 H VAL A 53 6.088 -0.108 -3.476 1.00 42.24 H new ATOM 0 HA VAL A 53 7.814 0.680 -1.357 1.00 34.25 H new ATOM 0 HB VAL A 53 9.251 1.557 -3.158 1.00 55.13 H new ATOM 0 HG11 VAL A 53 9.632 -0.603 -4.292 1.00 44.03 H new ATOM 0 HG12 VAL A 53 9.352 -0.811 -2.547 1.00 44.03 H new ATOM 0 HG13 VAL A 53 8.054 -1.180 -3.707 1.00 44.03 H new ATOM 0 HG21 VAL A 53 8.594 1.263 -5.508 1.00 73.03 H new ATOM 0 HG22 VAL A 53 6.967 0.764 -4.985 1.00 73.03 H new ATOM 0 HG23 VAL A 53 7.538 2.418 -4.661 1.00 73.03 H new ATOM 815 N LEU A 54 5.807 2.862 -2.625 1.00 40.11 N ATOM 816 CA LEU A 54 5.251 4.196 -2.477 1.00 72.32 C ATOM 817 C LEU A 54 4.544 4.323 -1.133 1.00 1.34 C ATOM 818 O LEU A 54 4.143 5.410 -0.727 1.00 30.23 O ATOM 819 CB LEU A 54 4.265 4.483 -3.613 1.00 5.42 C ATOM 820 CG LEU A 54 4.861 4.460 -5.022 1.00 63.11 C ATOM 821 CD1 LEU A 54 3.784 4.743 -6.054 1.00 50.12 C ATOM 822 CD2 LEU A 54 5.993 5.469 -5.141 1.00 3.31 C ATOM 0 H LEU A 54 5.222 2.225 -3.165 1.00 40.11 H new ATOM 0 HA LEU A 54 6.063 4.921 -2.520 1.00 72.32 H new ATOM 0 HB2 LEU A 54 3.460 3.750 -3.566 1.00 5.42 H new ATOM 0 HB3 LEU A 54 3.816 5.462 -3.443 1.00 5.42 H new ATOM 0 HG LEU A 54 5.268 3.467 -5.209 1.00 63.11 H new ATOM 0 HD11 LEU A 54 4.222 4.724 -7.052 1.00 50.12 H new ATOM 0 HD12 LEU A 54 3.005 3.984 -5.985 1.00 50.12 H new ATOM 0 HD13 LEU A 54 3.350 5.725 -5.867 1.00 50.12 H new ATOM 0 HD21 LEU A 54 6.404 5.438 -6.150 1.00 3.31 H new ATOM 0 HD22 LEU A 54 5.612 6.469 -4.935 1.00 3.31 H new ATOM 0 HD23 LEU A 54 6.776 5.224 -4.423 1.00 3.31 H new ATOM 834 N SER A 55 4.394 3.195 -0.450 1.00 23.03 N ATOM 835 CA SER A 55 3.714 3.154 0.834 1.00 71.33 C ATOM 836 C SER A 55 4.722 3.063 1.977 1.00 34.31 C ATOM 837 O SER A 55 4.407 3.372 3.124 1.00 71.40 O ATOM 838 CB SER A 55 2.771 1.954 0.876 1.00 42.35 C ATOM 839 OG SER A 55 1.941 1.922 -0.273 1.00 12.22 O ATOM 0 H SER A 55 4.738 2.290 -0.770 1.00 23.03 H new ATOM 0 HA SER A 55 3.140 4.073 0.954 1.00 71.33 H new ATOM 0 HB2 SER A 55 3.351 1.033 0.936 1.00 42.35 H new ATOM 0 HB3 SER A 55 2.154 2.002 1.774 1.00 42.35 H new ATOM 0 HG SER A 55 1.250 2.613 -0.197 1.00 12.22 H new ATOM 845 N ARG A 56 5.940 2.651 1.650 1.00 24.24 N ATOM 846 CA ARG A 56 6.983 2.485 2.652 1.00 14.43 C ATOM 847 C ARG A 56 7.832 3.752 2.736 1.00 23.51 C ATOM 848 O ARG A 56 8.960 3.736 3.233 1.00 41.13 O ATOM 849 CB ARG A 56 7.853 1.274 2.304 1.00 11.53 C ATOM 850 CG ARG A 56 8.625 0.714 3.488 1.00 11.41 C ATOM 851 CD ARG A 56 9.399 -0.537 3.112 1.00 44.00 C ATOM 852 NE ARG A 56 10.000 -1.179 4.280 1.00 23.30 N ATOM 853 CZ ARG A 56 10.387 -2.453 4.311 1.00 11.43 C ATOM 854 NH1 ARG A 56 10.285 -3.212 3.221 1.00 32.41 N ATOM 855 NH2 ARG A 56 10.888 -2.966 5.428 1.00 21.02 N ATOM 0 H ARG A 56 6.229 2.426 0.698 1.00 24.24 H new ATOM 0 HA ARG A 56 6.522 2.313 3.625 1.00 14.43 H new ATOM 0 HB2 ARG A 56 7.219 0.489 1.891 1.00 11.53 H new ATOM 0 HB3 ARG A 56 8.559 1.557 1.523 1.00 11.53 H new ATOM 0 HG2 ARG A 56 9.315 1.470 3.863 1.00 11.41 H new ATOM 0 HG3 ARG A 56 7.933 0.484 4.298 1.00 11.41 H new ATOM 0 HD2 ARG A 56 8.732 -1.241 2.614 1.00 44.00 H new ATOM 0 HD3 ARG A 56 10.181 -0.279 2.397 1.00 44.00 H new ATOM 0 HE ARG A 56 10.131 -0.618 5.121 1.00 23.30 H new ATOM 0 HH11 ARG A 56 9.909 -2.818 2.358 1.00 32.41 H new ATOM 0 HH12 ARG A 56 10.583 -4.187 3.249 1.00 32.41 H new ATOM 0 HH21 ARG A 56 10.976 -2.385 6.261 1.00 21.02 H new ATOM 0 HH22 ARG A 56 11.185 -3.942 5.453 1.00 21.02 H new ATOM 869 N GLY A 57 7.271 4.852 2.251 1.00 74.34 N ATOM 870 CA GLY A 57 7.966 6.121 2.283 1.00 11.41 C ATOM 871 C GLY A 57 7.842 6.804 3.631 1.00 44.33 C ATOM 872 O GLY A 57 7.686 6.143 4.662 1.00 24.31 O ATOM 0 H GLY A 57 6.341 4.886 1.834 1.00 74.34 H new ATOM 0 HA2 GLY A 57 9.020 5.963 2.052 1.00 11.41 H new ATOM 0 HA3 GLY A 57 7.564 6.774 1.508 1.00 11.41 H new ATOM 876 N ILE A 58 7.897 8.125 3.627 1.00 33.32 N ATOM 877 CA ILE A 58 7.827 8.885 4.864 1.00 61.33 C ATOM 878 C ILE A 58 6.382 9.228 5.191 1.00 34.12 C ATOM 879 O ILE A 58 5.779 10.109 4.574 1.00 44.30 O ATOM 880 CB ILE A 58 8.670 10.189 4.811 1.00 2.35 C ATOM 881 CG1 ILE A 58 10.155 9.889 4.545 1.00 4.04 C ATOM 882 CG2 ILE A 58 8.526 10.972 6.112 1.00 23.42 C ATOM 883 CD1 ILE A 58 10.482 9.575 3.097 1.00 12.41 C ATOM 0 H ILE A 58 7.990 8.692 2.784 1.00 33.32 H new ATOM 0 HA ILE A 58 8.247 8.252 5.646 1.00 61.33 H new ATOM 0 HB ILE A 58 8.290 10.791 3.986 1.00 2.35 H new ATOM 0 HG12 ILE A 58 10.749 10.747 4.861 1.00 4.04 H new ATOM 0 HG13 ILE A 58 10.459 9.045 5.165 1.00 4.04 H new ATOM 0 HG21 ILE A 58 9.123 11.882 6.057 1.00 23.42 H new ATOM 0 HG22 ILE A 58 7.479 11.234 6.265 1.00 23.42 H new ATOM 0 HG23 ILE A 58 8.873 10.360 6.945 1.00 23.42 H new ATOM 0 HD11 ILE A 58 11.549 9.376 3.000 1.00 12.41 H new ATOM 0 HD12 ILE A 58 9.919 8.698 2.779 1.00 12.41 H new ATOM 0 HD13 ILE A 58 10.213 10.425 2.471 1.00 12.41 H new ATOM 895 N VAL A 59 5.832 8.503 6.149 1.00 44.23 N ATOM 896 CA VAL A 59 4.479 8.729 6.611 1.00 12.53 C ATOM 897 C VAL A 59 4.491 9.768 7.721 1.00 62.04 C ATOM 898 O VAL A 59 4.896 9.484 8.851 1.00 62.01 O ATOM 899 CB VAL A 59 3.842 7.421 7.124 1.00 50.21 C ATOM 900 CG1 VAL A 59 2.445 7.676 7.680 1.00 61.02 C ATOM 901 CG2 VAL A 59 3.800 6.379 6.013 1.00 11.35 C ATOM 0 H VAL A 59 6.313 7.741 6.627 1.00 44.23 H new ATOM 0 HA VAL A 59 3.882 9.090 5.773 1.00 12.53 H new ATOM 0 HB VAL A 59 4.460 7.035 7.935 1.00 50.21 H new ATOM 0 HG11 VAL A 59 2.018 6.738 8.035 1.00 61.02 H new ATOM 0 HG12 VAL A 59 2.506 8.383 8.507 1.00 61.02 H new ATOM 0 HG13 VAL A 59 1.811 8.089 6.896 1.00 61.02 H new ATOM 0 HG21 VAL A 59 3.348 5.462 6.391 1.00 11.35 H new ATOM 0 HG22 VAL A 59 3.208 6.759 5.180 1.00 11.35 H new ATOM 0 HG23 VAL A 59 4.814 6.170 5.672 1.00 11.35 H new ATOM 911 N ALA A 60 4.080 10.976 7.382 1.00 23.44 N ATOM 912 CA ALA A 60 4.093 12.085 8.324 1.00 33.52 C ATOM 913 C ALA A 60 2.957 13.056 8.040 1.00 72.01 C ATOM 914 O ALA A 60 2.217 12.902 7.068 1.00 41.11 O ATOM 915 CB ALA A 60 5.432 12.809 8.276 1.00 2.23 C ATOM 0 H ALA A 60 3.730 11.217 6.455 1.00 23.44 H new ATOM 0 HA ALA A 60 3.950 11.678 9.325 1.00 33.52 H new ATOM 0 HB1 ALA A 60 5.424 13.635 8.987 1.00 2.23 H new ATOM 0 HB2 ALA A 60 6.231 12.114 8.536 1.00 2.23 H new ATOM 0 HB3 ALA A 60 5.601 13.196 7.271 1.00 2.23 H new ATOM 921 N GLU A 61 2.816 14.047 8.897 1.00 13.33 N ATOM 922 CA GLU A 61 1.795 15.064 8.726 1.00 32.02 C ATOM 923 C GLU A 61 2.326 16.204 7.867 1.00 61.22 C ATOM 924 O GLU A 61 3.298 16.867 8.231 1.00 71.33 O ATOM 925 CB GLU A 61 1.361 15.590 10.088 1.00 64.55 C ATOM 926 CG GLU A 61 0.295 16.668 10.032 1.00 70.52 C ATOM 927 CD GLU A 61 0.112 17.343 11.371 1.00 32.53 C ATOM 928 OE1 GLU A 61 -0.583 16.776 12.239 1.00 42.31 O ATOM 929 OE2 GLU A 61 0.691 18.431 11.573 1.00 21.24 O ATOM 0 H GLU A 61 3.399 14.171 9.725 1.00 13.33 H new ATOM 0 HA GLU A 61 0.934 14.623 8.223 1.00 32.02 H new ATOM 0 HB2 GLU A 61 0.987 14.757 10.684 1.00 64.55 H new ATOM 0 HB3 GLU A 61 2.234 15.986 10.606 1.00 64.55 H new ATOM 0 HG2 GLU A 61 0.569 17.412 9.284 1.00 70.52 H new ATOM 0 HG3 GLU A 61 -0.650 16.229 9.714 1.00 70.52 H new ATOM 936 N HIS A 62 1.682 16.437 6.735 1.00 44.11 N ATOM 937 CA HIS A 62 2.134 17.466 5.809 1.00 73.24 C ATOM 938 C HIS A 62 1.553 18.821 6.193 1.00 72.41 C ATOM 939 O HIS A 62 2.195 19.856 6.024 1.00 32.43 O ATOM 940 CB HIS A 62 1.740 17.093 4.374 1.00 40.04 C ATOM 941 CG HIS A 62 1.995 18.163 3.356 1.00 50.31 C ATOM 942 ND1 HIS A 62 3.218 18.304 2.749 1.00 0.33 N ATOM 943 CD2 HIS A 62 1.151 19.110 2.880 1.00 72.24 C ATOM 944 CE1 HIS A 62 3.094 19.332 1.926 1.00 63.40 C ATOM 945 NE2 HIS A 62 1.860 19.854 1.972 1.00 2.55 N ATOM 0 H HIS A 62 0.849 15.931 6.435 1.00 44.11 H new ATOM 0 HA HIS A 62 3.220 17.535 5.863 1.00 73.24 H new ATOM 0 HB2 HIS A 62 2.287 16.196 4.083 1.00 40.04 H new ATOM 0 HB3 HIS A 62 0.680 16.840 4.357 1.00 40.04 H new ATOM 0 HD2 HIS A 62 0.118 19.252 3.162 1.00 72.24 H new ATOM 0 HE1 HIS A 62 3.888 19.704 1.296 1.00 63.40 H new ATOM 0 HE2 HIS A 62 1.515 20.650 1.436 1.00 2.55 H new ATOM 953 N GLN A 63 0.342 18.805 6.725 1.00 0.03 N ATOM 954 CA GLN A 63 -0.344 20.033 7.090 1.00 24.43 C ATOM 955 C GLN A 63 -1.289 19.774 8.253 1.00 25.34 C ATOM 956 O GLN A 63 -1.103 20.289 9.352 1.00 42.24 O ATOM 957 CB GLN A 63 -1.128 20.575 5.891 1.00 2.12 C ATOM 958 CG GLN A 63 -1.829 21.897 6.159 1.00 51.14 C ATOM 959 CD GLN A 63 -2.710 22.339 5.005 1.00 31.11 C ATOM 960 OE1 GLN A 63 -3.270 21.516 4.280 1.00 12.44 O ATOM 961 NE2 GLN A 63 -2.831 23.642 4.820 1.00 22.14 N ATOM 0 H GLN A 63 -0.187 17.954 6.914 1.00 0.03 H new ATOM 0 HA GLN A 63 0.397 20.774 7.392 1.00 24.43 H new ATOM 0 HB2 GLN A 63 -0.446 20.701 5.050 1.00 2.12 H new ATOM 0 HB3 GLN A 63 -1.871 19.836 5.591 1.00 2.12 H new ATOM 0 HG2 GLN A 63 -2.436 21.805 7.059 1.00 51.14 H new ATOM 0 HG3 GLN A 63 -1.082 22.666 6.355 1.00 51.14 H new ATOM 0 HE21 GLN A 63 -2.351 24.292 5.442 1.00 22.14 H new ATOM 0 HE22 GLN A 63 -3.404 23.997 4.055 1.00 22.14 H new ATOM 970 N ASP A 64 -2.297 18.958 7.996 1.00 22.24 N ATOM 971 CA ASP A 64 -3.313 18.657 8.994 1.00 61.44 C ATOM 972 C ASP A 64 -3.599 17.162 9.045 1.00 54.41 C ATOM 973 O ASP A 64 -4.057 16.634 10.059 1.00 74.22 O ATOM 974 CB ASP A 64 -4.590 19.426 8.653 1.00 60.24 C ATOM 975 CG ASP A 64 -5.794 18.970 9.450 1.00 61.33 C ATOM 976 OD1 ASP A 64 -5.991 19.478 10.572 1.00 21.52 O ATOM 977 OD2 ASP A 64 -6.557 18.116 8.944 1.00 3.25 O ATOM 0 H ASP A 64 -2.435 18.489 7.101 1.00 22.24 H new ATOM 0 HA ASP A 64 -2.949 18.962 9.975 1.00 61.44 H new ATOM 0 HB2 ASP A 64 -4.425 20.488 8.833 1.00 60.24 H new ATOM 0 HB3 ASP A 64 -4.802 19.312 7.590 1.00 60.24 H new ATOM 982 N ASP A 65 -3.297 16.478 7.956 1.00 10.13 N ATOM 983 CA ASP A 65 -3.685 15.088 7.807 1.00 63.21 C ATOM 984 C ASP A 65 -2.453 14.213 7.634 1.00 4.43 C ATOM 985 O ASP A 65 -1.324 14.700 7.721 1.00 42.24 O ATOM 986 CB ASP A 65 -4.617 14.941 6.604 1.00 53.24 C ATOM 987 CG ASP A 65 -5.594 13.798 6.768 1.00 63.43 C ATOM 988 OD1 ASP A 65 -5.216 12.640 6.502 1.00 63.24 O ATOM 989 OD2 ASP A 65 -6.746 14.059 7.166 1.00 55.53 O ATOM 0 H ASP A 65 -2.784 16.863 7.162 1.00 10.13 H new ATOM 0 HA ASP A 65 -4.212 14.765 8.705 1.00 63.21 H new ATOM 0 HB2 ASP A 65 -5.169 15.870 6.460 1.00 53.24 H new ATOM 0 HB3 ASP A 65 -4.022 14.781 5.705 1.00 53.24 H new ATOM 994 N LEU A 66 -2.671 12.935 7.377 1.00 12.23 N ATOM 995 CA LEU A 66 -1.580 11.990 7.221 1.00 71.21 C ATOM 996 C LEU A 66 -1.210 11.844 5.751 1.00 13.22 C ATOM 997 O LEU A 66 -2.042 11.471 4.920 1.00 63.42 O ATOM 998 CB LEU A 66 -1.967 10.635 7.812 1.00 71.43 C ATOM 999 CG LEU A 66 -2.283 10.650 9.310 1.00 25.40 C ATOM 1000 CD1 LEU A 66 -2.695 9.267 9.781 1.00 60.24 C ATOM 1001 CD2 LEU A 66 -1.086 11.144 10.109 1.00 32.20 C ATOM 0 H LEU A 66 -3.600 12.526 7.272 1.00 12.23 H new ATOM 0 HA LEU A 66 -0.711 12.369 7.759 1.00 71.21 H new ATOM 0 HB2 LEU A 66 -2.837 10.257 7.276 1.00 71.43 H new ATOM 0 HB3 LEU A 66 -1.153 9.932 7.634 1.00 71.43 H new ATOM 0 HG LEU A 66 -3.114 11.336 9.475 1.00 25.40 H new ATOM 0 HD11 LEU A 66 -2.916 9.297 10.848 1.00 60.24 H new ATOM 0 HD12 LEU A 66 -3.583 8.946 9.236 1.00 60.24 H new ATOM 0 HD13 LEU A 66 -1.883 8.563 9.598 1.00 60.24 H new ATOM 0 HD21 LEU A 66 -1.333 11.146 11.171 1.00 32.20 H new ATOM 0 HD22 LEU A 66 -0.236 10.484 9.936 1.00 32.20 H new ATOM 0 HD23 LEU A 66 -0.831 12.156 9.794 1.00 32.20 H new ATOM 1013 N TRP A 67 0.034 12.164 5.435 1.00 21.32 N ATOM 1014 CA TRP A 67 0.519 12.106 4.066 1.00 34.41 C ATOM 1015 C TRP A 67 1.714 11.166 3.979 1.00 11.44 C ATOM 1016 O TRP A 67 2.432 10.966 4.962 1.00 75.21 O ATOM 1017 CB TRP A 67 0.948 13.496 3.577 1.00 13.31 C ATOM 1018 CG TRP A 67 -0.144 14.531 3.552 1.00 42.42 C ATOM 1019 CD1 TRP A 67 -0.906 14.960 4.603 1.00 34.21 C ATOM 1020 CD2 TRP A 67 -0.566 15.299 2.419 1.00 52.20 C ATOM 1021 NE1 TRP A 67 -1.774 15.941 4.190 1.00 50.54 N ATOM 1022 CE2 TRP A 67 -1.582 16.166 2.855 1.00 13.13 C ATOM 1023 CE3 TRP A 67 -0.180 15.338 1.076 1.00 24.30 C ATOM 1024 CZ2 TRP A 67 -2.220 17.059 1.996 1.00 64.31 C ATOM 1025 CZ3 TRP A 67 -0.812 16.227 0.228 1.00 71.42 C ATOM 1026 CH2 TRP A 67 -1.818 17.077 0.691 1.00 5.21 C ATOM 0 H TRP A 67 0.731 12.469 6.114 1.00 21.32 H new ATOM 0 HA TRP A 67 -0.293 11.741 3.437 1.00 34.41 H new ATOM 0 HB2 TRP A 67 1.754 13.856 4.217 1.00 13.31 H new ATOM 0 HB3 TRP A 67 1.358 13.399 2.572 1.00 13.31 H new ATOM 0 HD1 TRP A 67 -0.836 14.582 5.612 1.00 34.21 H new ATOM 0 HE1 TRP A 67 -2.451 16.423 4.782 1.00 50.54 H new ATOM 0 HE3 TRP A 67 0.598 14.685 0.708 1.00 24.30 H new ATOM 0 HZ2 TRP A 67 -3.004 17.713 2.349 1.00 64.31 H new ATOM 0 HZ3 TRP A 67 -0.523 16.265 -0.812 1.00 71.42 H new ATOM 0 HH2 TRP A 67 -2.288 17.763 0.003 1.00 5.21 H new ATOM 1037 N VAL A 68 1.928 10.587 2.813 1.00 32.51 N ATOM 1038 CA VAL A 68 3.105 9.776 2.588 1.00 2.33 C ATOM 1039 C VAL A 68 4.006 10.437 1.547 1.00 11.21 C ATOM 1040 O VAL A 68 3.578 10.755 0.433 1.00 61.25 O ATOM 1041 CB VAL A 68 2.746 8.330 2.165 1.00 31.20 C ATOM 1042 CG1 VAL A 68 1.954 8.303 0.865 1.00 1.51 C ATOM 1043 CG2 VAL A 68 4.000 7.479 2.044 1.00 73.44 C ATOM 0 H VAL A 68 1.303 10.664 2.010 1.00 32.51 H new ATOM 0 HA VAL A 68 3.643 9.705 3.533 1.00 2.33 H new ATOM 0 HB VAL A 68 2.112 7.909 2.945 1.00 31.20 H new ATOM 0 HG11 VAL A 68 1.721 7.271 0.602 1.00 1.51 H new ATOM 0 HG12 VAL A 68 1.027 8.863 0.992 1.00 1.51 H new ATOM 0 HG13 VAL A 68 2.545 8.756 0.069 1.00 1.51 H new ATOM 0 HG21 VAL A 68 3.726 6.467 1.746 1.00 73.44 H new ATOM 0 HG22 VAL A 68 4.662 7.911 1.294 1.00 73.44 H new ATOM 0 HG23 VAL A 68 4.513 7.448 3.005 1.00 73.44 H new ATOM 1053 N ALA A 69 5.241 10.697 1.939 1.00 23.02 N ATOM 1054 CA ALA A 69 6.219 11.265 1.034 1.00 71.34 C ATOM 1055 C ALA A 69 6.893 10.160 0.238 1.00 12.14 C ATOM 1056 O ALA A 69 7.585 9.309 0.805 1.00 43.44 O ATOM 1057 CB ALA A 69 7.248 12.080 1.803 1.00 71.12 C ATOM 0 H ALA A 69 5.589 10.522 2.882 1.00 23.02 H new ATOM 0 HA ALA A 69 5.710 11.933 0.340 1.00 71.34 H new ATOM 0 HB1 ALA A 69 7.975 12.499 1.107 1.00 71.12 H new ATOM 0 HB2 ALA A 69 6.747 12.889 2.335 1.00 71.12 H new ATOM 0 HB3 ALA A 69 7.760 11.437 2.519 1.00 71.12 H new ATOM 1063 N SER A 70 6.664 10.159 -1.068 1.00 15.30 N ATOM 1064 CA SER A 70 7.254 9.164 -1.942 1.00 4.42 C ATOM 1065 C SER A 70 8.778 9.286 -1.942 1.00 3.42 C ATOM 1066 O SER A 70 9.325 10.374 -2.145 1.00 30.25 O ATOM 1067 CB SER A 70 6.705 9.323 -3.363 1.00 33.53 C ATOM 1068 OG SER A 70 7.274 8.370 -4.248 1.00 0.32 O ATOM 0 H SER A 70 6.072 10.840 -1.543 1.00 15.30 H new ATOM 0 HA SER A 70 6.990 8.173 -1.572 1.00 4.42 H new ATOM 0 HB2 SER A 70 5.621 9.209 -3.351 1.00 33.53 H new ATOM 0 HB3 SER A 70 6.915 10.329 -3.725 1.00 33.53 H new ATOM 0 HG SER A 70 7.235 7.480 -3.840 1.00 0.32 H new ATOM 1074 N PRO A 71 9.478 8.171 -1.696 1.00 34.04 N ATOM 1075 CA PRO A 71 10.942 8.144 -1.691 1.00 33.35 C ATOM 1076 C PRO A 71 11.529 8.374 -3.083 1.00 24.42 C ATOM 1077 O PRO A 71 12.605 8.956 -3.230 1.00 5.42 O ATOM 1078 CB PRO A 71 11.278 6.733 -1.194 1.00 44.34 C ATOM 1079 CG PRO A 71 10.065 5.917 -1.487 1.00 62.54 C ATOM 1080 CD PRO A 71 8.894 6.853 -1.390 1.00 2.13 C ATOM 0 HA PRO A 71 11.360 8.936 -1.069 1.00 33.35 H new ATOM 0 HB2 PRO A 71 12.154 6.334 -1.705 1.00 44.34 H new ATOM 0 HB3 PRO A 71 11.504 6.734 -0.128 1.00 44.34 H new ATOM 0 HG2 PRO A 71 10.126 5.472 -2.480 1.00 62.54 H new ATOM 0 HG3 PRO A 71 9.967 5.097 -0.776 1.00 62.54 H new ATOM 0 HD2 PRO A 71 8.109 6.588 -2.098 1.00 2.13 H new ATOM 0 HD3 PRO A 71 8.446 6.834 -0.396 1.00 2.13 H new ATOM 1088 N LEU A 72 10.804 7.933 -4.103 1.00 32.41 N ATOM 1089 CA LEU A 72 11.278 8.044 -5.476 1.00 43.10 C ATOM 1090 C LEU A 72 10.643 9.235 -6.183 1.00 23.12 C ATOM 1091 O LEU A 72 11.340 10.118 -6.674 1.00 0.13 O ATOM 1092 CB LEU A 72 10.972 6.761 -6.255 1.00 4.44 C ATOM 1093 CG LEU A 72 11.568 5.477 -5.672 1.00 53.21 C ATOM 1094 CD1 LEU A 72 11.144 4.274 -6.498 1.00 14.14 C ATOM 1095 CD2 LEU A 72 13.085 5.569 -5.614 1.00 33.32 C ATOM 0 H LEU A 72 9.887 7.496 -4.006 1.00 32.41 H new ATOM 0 HA LEU A 72 12.357 8.195 -5.442 1.00 43.10 H new ATOM 0 HB2 LEU A 72 9.890 6.643 -6.316 1.00 4.44 H new ATOM 0 HB3 LEU A 72 11.338 6.880 -7.275 1.00 4.44 H new ATOM 0 HG LEU A 72 11.191 5.354 -4.657 1.00 53.21 H new ATOM 0 HD11 LEU A 72 11.576 3.369 -6.071 1.00 14.14 H new ATOM 0 HD12 LEU A 72 10.057 4.195 -6.494 1.00 14.14 H new ATOM 0 HD13 LEU A 72 11.495 4.395 -7.523 1.00 14.14 H new ATOM 0 HD21 LEU A 72 13.490 4.647 -5.197 1.00 33.32 H new ATOM 0 HD22 LEU A 72 13.479 5.716 -6.619 1.00 33.32 H new ATOM 0 HD23 LEU A 72 13.375 6.410 -4.984 1.00 33.32 H new ATOM 1107 N LYS A 73 9.316 9.265 -6.212 1.00 51.31 N ATOM 1108 CA LYS A 73 8.590 10.279 -6.976 1.00 5.25 C ATOM 1109 C LYS A 73 8.434 11.574 -6.179 1.00 52.43 C ATOM 1110 O LYS A 73 8.167 12.629 -6.752 1.00 3.21 O ATOM 1111 CB LYS A 73 7.218 9.744 -7.419 1.00 64.12 C ATOM 1112 CG LYS A 73 7.272 8.816 -8.635 1.00 62.54 C ATOM 1113 CD LYS A 73 8.127 7.579 -8.381 1.00 12.41 C ATOM 1114 CE LYS A 73 8.314 6.743 -9.640 1.00 63.42 C ATOM 1115 NZ LYS A 73 7.082 6.001 -10.010 1.00 23.12 N ATOM 0 H LYS A 73 8.720 8.602 -5.717 1.00 51.31 H new ATOM 0 HA LYS A 73 9.176 10.508 -7.866 1.00 5.25 H new ATOM 0 HB2 LYS A 73 6.763 9.208 -6.586 1.00 64.12 H new ATOM 0 HB3 LYS A 73 6.568 10.588 -7.648 1.00 64.12 H new ATOM 0 HG2 LYS A 73 6.260 8.508 -8.899 1.00 62.54 H new ATOM 0 HG3 LYS A 73 7.672 9.363 -9.489 1.00 62.54 H new ATOM 0 HD2 LYS A 73 9.102 7.885 -8.001 1.00 12.41 H new ATOM 0 HD3 LYS A 73 7.660 6.969 -7.607 1.00 12.41 H new ATOM 0 HE2 LYS A 73 8.606 7.393 -10.465 1.00 63.42 H new ATOM 0 HE3 LYS A 73 9.129 6.036 -9.487 1.00 63.42 H new ATOM 0 HZ1 LYS A 73 7.040 5.892 -11.043 1.00 23.12 H new ATOM 0 HZ2 LYS A 73 7.095 5.062 -9.563 1.00 23.12 H new ATOM 0 HZ3 LYS A 73 6.248 6.529 -9.683 1.00 23.12 H new ATOM 1129 N LYS A 74 8.578 11.469 -4.857 1.00 24.22 N ATOM 1130 CA LYS A 74 8.611 12.625 -3.943 1.00 63.30 C ATOM 1131 C LYS A 74 7.242 13.292 -3.748 1.00 41.13 C ATOM 1132 O LYS A 74 7.023 13.953 -2.732 1.00 75.42 O ATOM 1133 CB LYS A 74 9.666 13.641 -4.398 1.00 4.31 C ATOM 1134 CG LYS A 74 9.837 14.839 -3.471 1.00 21.52 C ATOM 1135 CD LYS A 74 10.071 14.438 -2.014 1.00 4.42 C ATOM 1136 CE LYS A 74 11.412 13.749 -1.783 1.00 12.12 C ATOM 1137 NZ LYS A 74 11.409 12.330 -2.232 1.00 31.55 N ATOM 0 H LYS A 74 8.676 10.573 -4.380 1.00 24.22 H new ATOM 0 HA LYS A 74 8.892 12.237 -2.964 1.00 63.30 H new ATOM 0 HB2 LYS A 74 10.625 13.131 -4.492 1.00 4.31 H new ATOM 0 HB3 LYS A 74 9.399 14.002 -5.391 1.00 4.31 H new ATOM 0 HG2 LYS A 74 10.678 15.441 -3.816 1.00 21.52 H new ATOM 0 HG3 LYS A 74 8.949 15.468 -3.531 1.00 21.52 H new ATOM 0 HD2 LYS A 74 10.015 15.328 -1.387 1.00 4.42 H new ATOM 0 HD3 LYS A 74 9.269 13.772 -1.695 1.00 4.42 H new ATOM 0 HE2 LYS A 74 12.193 14.293 -2.315 1.00 12.12 H new ATOM 0 HE3 LYS A 74 11.660 13.791 -0.722 1.00 12.12 H new ATOM 0 HZ1 LYS A 74 12.152 11.805 -1.728 1.00 31.55 H new ATOM 0 HZ2 LYS A 74 10.483 11.903 -2.027 1.00 31.55 H new ATOM 0 HZ3 LYS A 74 11.590 12.289 -3.255 1.00 31.55 H new ATOM 1151 N GLN A 75 6.327 13.118 -4.699 1.00 20.33 N ATOM 1152 CA GLN A 75 4.966 13.645 -4.566 1.00 25.12 C ATOM 1153 C GLN A 75 4.356 13.253 -3.220 1.00 23.52 C ATOM 1154 O GLN A 75 4.639 12.174 -2.692 1.00 1.41 O ATOM 1155 CB GLN A 75 4.081 13.140 -5.707 1.00 64.32 C ATOM 1156 CG GLN A 75 4.373 13.796 -7.048 1.00 75.21 C ATOM 1157 CD GLN A 75 4.062 15.280 -7.050 1.00 74.22 C ATOM 1158 OE1 GLN A 75 2.939 15.692 -7.337 1.00 42.21 O ATOM 1159 NE2 GLN A 75 5.055 16.094 -6.737 1.00 52.34 N ATOM 0 H GLN A 75 6.501 12.617 -5.570 1.00 20.33 H new ATOM 0 HA GLN A 75 5.022 14.732 -4.616 1.00 25.12 H new ATOM 0 HB2 GLN A 75 4.210 12.062 -5.805 1.00 64.32 H new ATOM 0 HB3 GLN A 75 3.037 13.314 -5.448 1.00 64.32 H new ATOM 0 HG2 GLN A 75 5.423 13.648 -7.300 1.00 75.21 H new ATOM 0 HG3 GLN A 75 3.787 13.304 -7.824 1.00 75.21 H new ATOM 0 HE21 GLN A 75 5.972 15.714 -6.505 1.00 52.34 H new ATOM 0 HE22 GLN A 75 4.904 17.103 -6.728 1.00 52.34 H new ATOM 1168 N HIS A 76 3.533 14.133 -2.659 1.00 13.21 N ATOM 1169 CA HIS A 76 2.968 13.897 -1.334 1.00 31.31 C ATOM 1170 C HIS A 76 1.545 13.378 -1.438 1.00 31.55 C ATOM 1171 O HIS A 76 0.623 14.124 -1.747 1.00 74.13 O ATOM 1172 CB HIS A 76 3.003 15.174 -0.485 1.00 41.25 C ATOM 1173 CG HIS A 76 4.349 15.482 0.099 1.00 4.34 C ATOM 1174 ND1 HIS A 76 4.528 16.313 1.185 1.00 30.14 N ATOM 1175 CD2 HIS A 76 5.587 15.061 -0.252 1.00 22.41 C ATOM 1176 CE1 HIS A 76 5.813 16.389 1.472 1.00 71.33 C ATOM 1177 NE2 HIS A 76 6.476 15.639 0.617 1.00 52.42 N ATOM 0 H HIS A 76 3.244 15.008 -3.096 1.00 13.21 H new ATOM 0 HA HIS A 76 3.580 13.140 -0.843 1.00 31.31 H new ATOM 0 HB2 HIS A 76 2.684 16.016 -1.100 1.00 41.25 H new ATOM 0 HB3 HIS A 76 2.280 15.079 0.325 1.00 41.25 H new ATOM 0 HD1 HIS A 76 3.782 16.794 1.688 1.00 30.14 H new ATOM 0 HD2 HIS A 76 5.829 14.394 -1.066 1.00 22.41 H new ATOM 0 HE1 HIS A 76 6.248 16.968 2.273 1.00 71.33 H new ATOM 1186 N PHE A 77 1.372 12.096 -1.183 1.00 41.54 N ATOM 1187 CA PHE A 77 0.060 11.477 -1.270 1.00 70.31 C ATOM 1188 C PHE A 77 -0.654 11.568 0.070 1.00 2.50 C ATOM 1189 O PHE A 77 -0.133 11.103 1.080 1.00 34.04 O ATOM 1190 CB PHE A 77 0.179 9.999 -1.660 1.00 63.23 C ATOM 1191 CG PHE A 77 0.955 9.735 -2.920 1.00 72.54 C ATOM 1192 CD1 PHE A 77 2.342 9.675 -2.896 1.00 42.42 C ATOM 1193 CD2 PHE A 77 0.301 9.526 -4.121 1.00 41.01 C ATOM 1194 CE1 PHE A 77 3.058 9.415 -4.048 1.00 13.11 C ATOM 1195 CE2 PHE A 77 1.013 9.266 -5.276 1.00 54.43 C ATOM 1196 CZ PHE A 77 2.392 9.211 -5.240 1.00 63.44 C ATOM 0 H PHE A 77 2.123 11.461 -0.913 1.00 41.54 H new ATOM 0 HA PHE A 77 -0.508 12.009 -2.033 1.00 70.31 H new ATOM 0 HB2 PHE A 77 0.652 9.459 -0.840 1.00 63.23 H new ATOM 0 HB3 PHE A 77 -0.824 9.587 -1.776 1.00 63.23 H new ATOM 0 HD1 PHE A 77 2.867 9.833 -1.966 1.00 42.42 H new ATOM 0 HD2 PHE A 77 -0.778 9.567 -4.156 1.00 41.01 H new ATOM 0 HE1 PHE A 77 4.137 9.371 -4.016 1.00 13.11 H new ATOM 0 HE2 PHE A 77 0.491 9.106 -6.208 1.00 54.43 H new ATOM 0 HZ PHE A 77 2.949 9.009 -6.143 1.00 63.44 H new ATOM 1206 N ARG A 78 -1.829 12.178 0.092 1.00 24.13 N ATOM 1207 CA ARG A 78 -2.653 12.136 1.291 1.00 62.13 C ATOM 1208 C ARG A 78 -3.301 10.761 1.369 1.00 34.42 C ATOM 1209 O ARG A 78 -4.007 10.358 0.444 1.00 65.55 O ATOM 1210 CB ARG A 78 -3.704 13.254 1.293 1.00 10.33 C ATOM 1211 CG ARG A 78 -4.418 13.400 2.629 1.00 34.33 C ATOM 1212 CD ARG A 78 -5.175 14.718 2.744 1.00 54.30 C ATOM 1213 NE ARG A 78 -6.349 14.778 1.874 1.00 54.11 N ATOM 1214 CZ ARG A 78 -7.387 15.588 2.089 1.00 70.34 C ATOM 1215 NH1 ARG A 78 -7.385 16.410 3.133 1.00 75.15 N ATOM 1216 NH2 ARG A 78 -8.427 15.577 1.263 1.00 62.52 N ATOM 0 H ARG A 78 -2.228 12.698 -0.689 1.00 24.13 H new ATOM 0 HA ARG A 78 -2.032 12.303 2.171 1.00 62.13 H new ATOM 0 HB2 ARG A 78 -3.222 14.198 1.041 1.00 10.33 H new ATOM 0 HB3 ARG A 78 -4.440 13.054 0.514 1.00 10.33 H new ATOM 0 HG2 ARG A 78 -5.115 12.572 2.758 1.00 34.33 H new ATOM 0 HG3 ARG A 78 -3.689 13.331 3.437 1.00 34.33 H new ATOM 0 HD2 ARG A 78 -5.488 14.862 3.778 1.00 54.30 H new ATOM 0 HD3 ARG A 78 -4.503 15.540 2.496 1.00 54.30 H new ATOM 0 HE ARG A 78 -6.376 14.167 1.058 1.00 54.11 H new ATOM 0 HH11 ARG A 78 -6.589 16.422 3.771 1.00 75.15 H new ATOM 0 HH12 ARG A 78 -8.179 17.029 3.296 1.00 75.15 H new ATOM 0 HH21 ARG A 78 -8.434 14.948 0.460 1.00 62.52 H new ATOM 0 HH22 ARG A 78 -9.218 16.198 1.431 1.00 62.52 H new ATOM 1230 N LEU A 79 -3.053 10.057 2.470 1.00 72.51 N ATOM 1231 CA LEU A 79 -3.327 8.620 2.575 1.00 43.25 C ATOM 1232 C LEU A 79 -4.750 8.234 2.165 1.00 70.22 C ATOM 1233 O LEU A 79 -4.941 7.324 1.365 1.00 34.52 O ATOM 1234 CB LEU A 79 -3.047 8.136 4.000 1.00 73.21 C ATOM 1235 CG LEU A 79 -1.602 8.316 4.473 1.00 65.12 C ATOM 1236 CD1 LEU A 79 -1.416 7.729 5.863 1.00 63.13 C ATOM 1237 CD2 LEU A 79 -0.635 7.678 3.489 1.00 43.42 C ATOM 0 H LEU A 79 -2.656 10.464 3.317 1.00 72.51 H new ATOM 0 HA LEU A 79 -2.658 8.129 1.869 1.00 43.25 H new ATOM 0 HB2 LEU A 79 -3.706 8.669 4.685 1.00 73.21 H new ATOM 0 HB3 LEU A 79 -3.306 7.079 4.066 1.00 73.21 H new ATOM 0 HG LEU A 79 -1.388 9.384 4.522 1.00 65.12 H new ATOM 0 HD11 LEU A 79 -0.383 7.867 6.181 1.00 63.13 H new ATOM 0 HD12 LEU A 79 -2.082 8.234 6.563 1.00 63.13 H new ATOM 0 HD13 LEU A 79 -1.650 6.665 5.843 1.00 63.13 H new ATOM 0 HD21 LEU A 79 0.387 7.816 3.842 1.00 43.42 H new ATOM 0 HD22 LEU A 79 -0.850 6.613 3.407 1.00 43.42 H new ATOM 0 HD23 LEU A 79 -0.748 8.147 2.512 1.00 43.42 H new ATOM 1249 N TYR A 80 -5.742 8.924 2.702 1.00 22.21 N ATOM 1250 CA TYR A 80 -7.133 8.560 2.456 1.00 14.24 C ATOM 1251 C TYR A 80 -7.678 9.265 1.212 1.00 61.45 C ATOM 1252 O TYR A 80 -8.811 9.028 0.795 1.00 44.05 O ATOM 1253 CB TYR A 80 -7.981 8.905 3.688 1.00 64.41 C ATOM 1254 CG TYR A 80 -9.400 8.377 3.640 1.00 22.22 C ATOM 1255 CD1 TYR A 80 -9.664 7.019 3.783 1.00 52.15 C ATOM 1256 CD2 TYR A 80 -10.473 9.238 3.451 1.00 74.21 C ATOM 1257 CE1 TYR A 80 -10.959 6.536 3.739 1.00 54.31 C ATOM 1258 CE2 TYR A 80 -11.768 8.762 3.406 1.00 72.12 C ATOM 1259 CZ TYR A 80 -12.007 7.412 3.549 1.00 21.42 C ATOM 1260 OH TYR A 80 -13.301 6.939 3.504 1.00 30.23 O ATOM 0 H TYR A 80 -5.615 9.735 3.308 1.00 22.21 H new ATOM 0 HA TYR A 80 -7.185 7.487 2.274 1.00 14.24 H new ATOM 0 HB2 TYR A 80 -7.489 8.508 4.576 1.00 64.41 H new ATOM 0 HB3 TYR A 80 -8.013 9.989 3.800 1.00 64.41 H new ATOM 0 HD1 TYR A 80 -8.845 6.331 3.931 1.00 52.15 H new ATOM 0 HD2 TYR A 80 -10.292 10.297 3.337 1.00 74.21 H new ATOM 0 HE1 TYR A 80 -11.149 5.479 3.853 1.00 54.31 H new ATOM 0 HE2 TYR A 80 -12.591 9.445 3.259 1.00 72.12 H new ATOM 0 HH TYR A 80 -13.918 7.687 3.365 1.00 30.23 H new ATOM 1270 N ASP A 81 -6.858 10.110 0.599 1.00 43.53 N ATOM 1271 CA ASP A 81 -7.314 10.905 -0.533 1.00 11.31 C ATOM 1272 C ASP A 81 -6.797 10.325 -1.840 1.00 13.03 C ATOM 1273 O ASP A 81 -7.577 9.931 -2.706 1.00 11.24 O ATOM 1274 CB ASP A 81 -6.858 12.355 -0.398 1.00 64.13 C ATOM 1275 CG ASP A 81 -7.616 13.278 -1.328 1.00 50.44 C ATOM 1276 OD1 ASP A 81 -7.290 13.326 -2.532 1.00 44.22 O ATOM 1277 OD2 ASP A 81 -8.531 13.977 -0.848 1.00 43.41 O ATOM 0 H ASP A 81 -5.885 10.261 0.863 1.00 43.53 H new ATOM 0 HA ASP A 81 -8.404 10.879 -0.540 1.00 11.31 H new ATOM 0 HB2 ASP A 81 -6.997 12.684 0.632 1.00 64.13 H new ATOM 0 HB3 ASP A 81 -5.791 12.421 -0.612 1.00 64.13 H new ATOM 1282 N GLY A 82 -5.479 10.273 -1.976 1.00 70.11 N ATOM 1283 CA GLY A 82 -4.885 9.705 -3.168 1.00 13.51 C ATOM 1284 C GLY A 82 -4.221 10.735 -4.064 1.00 33.24 C ATOM 1285 O GLY A 82 -3.382 10.379 -4.895 1.00 34.45 O ATOM 0 H GLY A 82 -4.812 10.613 -1.283 1.00 70.11 H new ATOM 0 HA2 GLY A 82 -4.146 8.959 -2.876 1.00 13.51 H new ATOM 0 HA3 GLY A 82 -5.656 9.184 -3.736 1.00 13.51 H new ATOM 1289 N PHE A 83 -4.583 12.007 -3.909 1.00 73.53 N ATOM 1290 CA PHE A 83 -4.015 13.055 -4.756 1.00 31.54 C ATOM 1291 C PHE A 83 -2.588 13.379 -4.316 1.00 34.04 C ATOM 1292 O PHE A 83 -2.207 13.127 -3.167 1.00 61.13 O ATOM 1293 CB PHE A 83 -4.896 14.315 -4.755 1.00 70.35 C ATOM 1294 CG PHE A 83 -4.608 15.303 -3.655 1.00 21.04 C ATOM 1295 CD1 PHE A 83 -4.847 14.987 -2.328 1.00 71.33 C ATOM 1296 CD2 PHE A 83 -4.118 16.562 -3.962 1.00 43.20 C ATOM 1297 CE1 PHE A 83 -4.600 15.907 -1.328 1.00 24.25 C ATOM 1298 CE2 PHE A 83 -3.868 17.482 -2.968 1.00 71.10 C ATOM 1299 CZ PHE A 83 -4.109 17.157 -1.650 1.00 10.55 C ATOM 0 H PHE A 83 -5.256 12.334 -3.216 1.00 73.53 H new ATOM 0 HA PHE A 83 -3.982 12.683 -5.780 1.00 31.54 H new ATOM 0 HB2 PHE A 83 -4.779 14.820 -5.714 1.00 70.35 H new ATOM 0 HB3 PHE A 83 -5.939 14.008 -4.681 1.00 70.35 H new ATOM 0 HD1 PHE A 83 -5.231 14.010 -2.072 1.00 71.33 H new ATOM 0 HD2 PHE A 83 -3.930 16.825 -4.992 1.00 43.20 H new ATOM 0 HE1 PHE A 83 -4.790 15.649 -0.297 1.00 24.25 H new ATOM 0 HE2 PHE A 83 -3.483 18.459 -3.221 1.00 71.10 H new ATOM 0 HZ PHE A 83 -3.914 17.879 -0.871 1.00 10.55 H new ATOM 1309 N CYS A 84 -1.805 13.940 -5.229 1.00 61.23 N ATOM 1310 CA CYS A 84 -0.378 14.126 -5.001 1.00 24.55 C ATOM 1311 C CYS A 84 -0.014 15.590 -4.787 1.00 10.30 C ATOM 1312 O CYS A 84 0.198 16.320 -5.752 1.00 62.31 O ATOM 1313 CB CYS A 84 0.404 13.587 -6.195 1.00 24.25 C ATOM 1314 SG CYS A 84 -0.164 11.976 -6.771 1.00 74.21 S ATOM 0 H CYS A 84 -2.135 14.274 -6.135 1.00 61.23 H new ATOM 0 HA CYS A 84 -0.119 13.581 -4.093 1.00 24.55 H new ATOM 0 HB2 CYS A 84 0.334 14.301 -7.016 1.00 24.25 H new ATOM 0 HB3 CYS A 84 1.457 13.515 -5.925 1.00 24.25 H new ATOM 0 HG CYS A 84 0.102 11.075 -5.872 1.00 74.21 H new ATOM 1320 N LEU A 85 0.049 16.000 -3.518 1.00 60.44 N ATOM 1321 CA LEU A 85 0.530 17.329 -3.118 1.00 30.42 C ATOM 1322 C LEU A 85 -0.338 18.455 -3.678 1.00 25.22 C ATOM 1323 O LEU A 85 -1.146 19.045 -2.961 1.00 5.31 O ATOM 1324 CB LEU A 85 1.989 17.513 -3.548 1.00 74.25 C ATOM 1325 CG LEU A 85 2.639 18.835 -3.131 1.00 43.22 C ATOM 1326 CD1 LEU A 85 2.647 18.977 -1.617 1.00 53.32 C ATOM 1327 CD2 LEU A 85 4.053 18.922 -3.679 1.00 54.32 C ATOM 0 H LEU A 85 -0.234 15.416 -2.731 1.00 60.44 H new ATOM 0 HA LEU A 85 0.463 17.385 -2.032 1.00 30.42 H new ATOM 0 HB2 LEU A 85 2.577 16.693 -3.135 1.00 74.25 H new ATOM 0 HB3 LEU A 85 2.043 17.429 -4.633 1.00 74.25 H new ATOM 0 HG LEU A 85 2.052 19.653 -3.547 1.00 43.22 H new ATOM 0 HD11 LEU A 85 3.113 19.923 -1.343 1.00 53.32 H new ATOM 0 HD12 LEU A 85 1.623 18.956 -1.244 1.00 53.32 H new ATOM 0 HD13 LEU A 85 3.210 18.154 -1.177 1.00 53.32 H new ATOM 0 HD21 LEU A 85 4.504 19.867 -3.375 1.00 54.32 H new ATOM 0 HD22 LEU A 85 4.646 18.095 -3.289 1.00 54.32 H new ATOM 0 HD23 LEU A 85 4.026 18.867 -4.767 1.00 54.32 H new ATOM 1339 N GLU A 86 -0.156 18.758 -4.948 1.00 52.42 N ATOM 1340 CA GLU A 86 -0.932 19.801 -5.602 1.00 72.31 C ATOM 1341 C GLU A 86 -1.485 19.285 -6.930 1.00 33.53 C ATOM 1342 O GLU A 86 -2.693 19.298 -7.158 1.00 35.32 O ATOM 1343 CB GLU A 86 -0.065 21.046 -5.835 1.00 52.22 C ATOM 1344 CG GLU A 86 -0.792 22.369 -5.608 1.00 71.12 C ATOM 1345 CD GLU A 86 -1.995 22.570 -6.512 1.00 3.11 C ATOM 1346 OE1 GLU A 86 -1.832 23.136 -7.614 1.00 24.11 O ATOM 1347 OE2 GLU A 86 -3.115 22.186 -6.114 1.00 62.11 O ATOM 0 H GLU A 86 0.524 18.297 -5.552 1.00 52.42 H new ATOM 0 HA GLU A 86 -1.765 20.076 -4.955 1.00 72.31 H new ATOM 0 HB2 GLU A 86 0.799 21.002 -5.173 1.00 52.22 H new ATOM 0 HB3 GLU A 86 0.315 21.024 -6.856 1.00 52.22 H new ATOM 0 HG2 GLU A 86 -1.117 22.420 -4.569 1.00 71.12 H new ATOM 0 HG3 GLU A 86 -0.091 23.189 -5.764 1.00 71.12 H new ATOM 1354 N ASP A 87 -0.592 18.810 -7.790 1.00 24.55 N ATOM 1355 CA ASP A 87 -0.978 18.328 -9.111 1.00 71.22 C ATOM 1356 C ASP A 87 -1.057 16.807 -9.125 1.00 42.43 C ATOM 1357 O ASP A 87 -0.047 16.116 -8.974 1.00 61.30 O ATOM 1358 CB ASP A 87 0.013 18.819 -10.170 1.00 44.21 C ATOM 1359 CG ASP A 87 -0.304 18.291 -11.557 1.00 53.33 C ATOM 1360 OD1 ASP A 87 -1.294 18.750 -12.165 1.00 74.44 O ATOM 1361 OD2 ASP A 87 0.435 17.412 -12.044 1.00 53.13 O ATOM 0 H ASP A 87 0.407 18.748 -7.596 1.00 24.55 H new ATOM 0 HA ASP A 87 -1.965 18.727 -9.346 1.00 71.22 H new ATOM 0 HB2 ASP A 87 0.007 19.909 -10.190 1.00 44.21 H new ATOM 0 HB3 ASP A 87 1.020 18.511 -9.890 1.00 44.21 H new ATOM 1366 N GLY A 88 -2.265 16.296 -9.305 1.00 1.23 N ATOM 1367 CA GLY A 88 -2.487 14.865 -9.277 1.00 13.42 C ATOM 1368 C GLY A 88 -2.184 14.194 -10.604 1.00 73.34 C ATOM 1369 O GLY A 88 -3.090 13.730 -11.295 1.00 50.12 O ATOM 0 H GLY A 88 -3.103 16.853 -9.472 1.00 1.23 H new ATOM 0 HA2 GLY A 88 -1.864 14.421 -8.501 1.00 13.42 H new ATOM 0 HA3 GLY A 88 -3.524 14.669 -9.005 1.00 13.42 H new ATOM 1373 N ALA A 89 -0.910 14.145 -10.963 1.00 22.01 N ATOM 1374 CA ALA A 89 -0.483 13.485 -12.192 1.00 55.21 C ATOM 1375 C ALA A 89 -0.067 12.045 -11.918 1.00 20.50 C ATOM 1376 O ALA A 89 0.454 11.354 -12.798 1.00 63.42 O ATOM 1377 CB ALA A 89 0.666 14.250 -12.829 1.00 54.51 C ATOM 0 H ALA A 89 -0.150 14.555 -10.420 1.00 22.01 H new ATOM 0 HA ALA A 89 -1.326 13.473 -12.883 1.00 55.21 H new ATOM 0 HB1 ALA A 89 0.975 13.747 -13.745 1.00 54.51 H new ATOM 0 HB2 ALA A 89 0.342 15.264 -13.064 1.00 54.51 H new ATOM 0 HB3 ALA A 89 1.506 14.289 -12.136 1.00 54.51 H new ATOM 1383 N TYR A 90 -0.300 11.599 -10.692 1.00 52.14 N ATOM 1384 CA TYR A 90 0.098 10.262 -10.271 1.00 60.20 C ATOM 1385 C TYR A 90 -0.815 9.777 -9.144 1.00 12.24 C ATOM 1386 O TYR A 90 -0.414 8.985 -8.294 1.00 62.30 O ATOM 1387 CB TYR A 90 1.562 10.294 -9.815 1.00 4.24 C ATOM 1388 CG TYR A 90 2.217 8.934 -9.718 1.00 23.34 C ATOM 1389 CD1 TYR A 90 2.130 8.023 -10.763 1.00 22.03 C ATOM 1390 CD2 TYR A 90 2.929 8.566 -8.586 1.00 52.33 C ATOM 1391 CE1 TYR A 90 2.735 6.783 -10.681 1.00 72.42 C ATOM 1392 CE2 TYR A 90 3.539 7.332 -8.498 1.00 45.14 C ATOM 1393 CZ TYR A 90 3.438 6.445 -9.546 1.00 50.12 C ATOM 1394 OH TYR A 90 4.053 5.218 -9.461 1.00 51.52 O ATOM 0 H TYR A 90 -0.765 12.146 -9.968 1.00 52.14 H new ATOM 0 HA TYR A 90 0.004 9.567 -11.105 1.00 60.20 H new ATOM 0 HB2 TYR A 90 2.133 10.910 -10.510 1.00 4.24 H new ATOM 0 HB3 TYR A 90 1.616 10.780 -8.841 1.00 4.24 H new ATOM 0 HD1 TYR A 90 1.581 8.288 -11.654 1.00 22.03 H new ATOM 0 HD2 TYR A 90 3.007 9.257 -7.760 1.00 52.33 H new ATOM 0 HE1 TYR A 90 2.657 6.084 -11.501 1.00 72.42 H new ATOM 0 HE2 TYR A 90 4.093 7.063 -7.611 1.00 45.14 H new ATOM 0 HH TYR A 90 4.589 5.064 -10.267 1.00 51.52 H new ATOM 1404 N SER A 91 -2.055 10.255 -9.163 1.00 1.34 N ATOM 1405 CA SER A 91 -3.025 9.941 -8.119 1.00 44.54 C ATOM 1406 C SER A 91 -3.351 8.447 -8.095 1.00 12.35 C ATOM 1407 O SER A 91 -3.458 7.806 -9.141 1.00 3.41 O ATOM 1408 CB SER A 91 -4.297 10.758 -8.344 1.00 1.32 C ATOM 1409 OG SER A 91 -3.984 12.130 -8.537 1.00 11.34 O ATOM 0 H SER A 91 -2.414 10.866 -9.896 1.00 1.34 H new ATOM 0 HA SER A 91 -2.591 10.200 -7.153 1.00 44.54 H new ATOM 0 HB2 SER A 91 -4.832 10.376 -9.214 1.00 1.32 H new ATOM 0 HB3 SER A 91 -4.962 10.648 -7.487 1.00 1.32 H new ATOM 0 HG SER A 91 -4.810 12.637 -8.681 1.00 11.34 H new ATOM 1415 N VAL A 92 -3.502 7.900 -6.895 1.00 71.01 N ATOM 1416 CA VAL A 92 -3.786 6.479 -6.728 1.00 55.43 C ATOM 1417 C VAL A 92 -5.256 6.245 -6.382 1.00 32.10 C ATOM 1418 O VAL A 92 -6.037 7.191 -6.292 1.00 52.13 O ATOM 1419 CB VAL A 92 -2.891 5.852 -5.639 1.00 20.04 C ATOM 1420 CG1 VAL A 92 -1.429 5.905 -6.057 1.00 74.43 C ATOM 1421 CG2 VAL A 92 -3.093 6.549 -4.298 1.00 14.23 C ATOM 0 H VAL A 92 -3.432 8.420 -6.020 1.00 71.01 H new ATOM 0 HA VAL A 92 -3.568 5.996 -7.681 1.00 55.43 H new ATOM 0 HB VAL A 92 -3.180 4.808 -5.521 1.00 20.04 H new ATOM 0 HG11 VAL A 92 -0.811 5.459 -5.278 1.00 74.43 H new ATOM 0 HG12 VAL A 92 -1.296 5.352 -6.987 1.00 74.43 H new ATOM 0 HG13 VAL A 92 -1.131 6.943 -6.207 1.00 74.43 H new ATOM 0 HG21 VAL A 92 -2.451 6.088 -3.548 1.00 14.23 H new ATOM 0 HG22 VAL A 92 -2.838 7.604 -4.395 1.00 14.23 H new ATOM 0 HG23 VAL A 92 -4.135 6.454 -3.992 1.00 14.23 H new ATOM 1431 N ALA A 93 -5.628 4.985 -6.182 1.00 32.34 N ATOM 1432 CA ALA A 93 -7.016 4.635 -5.908 1.00 20.41 C ATOM 1433 C ALA A 93 -7.237 4.385 -4.422 1.00 50.12 C ATOM 1434 O ALA A 93 -6.497 3.626 -3.794 1.00 50.32 O ATOM 1435 CB ALA A 93 -7.420 3.414 -6.717 1.00 34.52 C ATOM 0 H ALA A 93 -4.988 4.191 -6.205 1.00 32.34 H new ATOM 0 HA ALA A 93 -7.642 5.477 -6.203 1.00 20.41 H new ATOM 0 HB1 ALA A 93 -8.459 3.163 -6.503 1.00 34.52 H new ATOM 0 HB2 ALA A 93 -7.310 3.629 -7.780 1.00 34.52 H new ATOM 0 HB3 ALA A 93 -6.781 2.572 -6.449 1.00 34.52 H new ATOM 1441 N ALA A 94 -8.270 5.009 -3.873 1.00 34.23 N ATOM 1442 CA ALA A 94 -8.564 4.908 -2.455 1.00 70.33 C ATOM 1443 C ALA A 94 -9.927 4.267 -2.237 1.00 71.22 C ATOM 1444 O ALA A 94 -10.966 4.887 -2.472 1.00 21.43 O ATOM 1445 CB ALA A 94 -8.505 6.281 -1.799 1.00 43.43 C ATOM 0 H ALA A 94 -8.922 5.595 -4.395 1.00 34.23 H new ATOM 0 HA ALA A 94 -7.809 4.274 -1.990 1.00 70.33 H new ATOM 0 HB1 ALA A 94 -8.728 6.186 -0.736 1.00 43.43 H new ATOM 0 HB2 ALA A 94 -7.507 6.702 -1.924 1.00 43.43 H new ATOM 0 HB3 ALA A 94 -9.238 6.939 -2.266 1.00 43.43 H new ATOM 1451 N TYR A 95 -9.910 3.017 -1.817 1.00 72.50 N ATOM 1452 CA TYR A 95 -11.133 2.287 -1.517 1.00 33.25 C ATOM 1453 C TYR A 95 -11.445 2.383 -0.029 1.00 21.11 C ATOM 1454 O TYR A 95 -10.553 2.653 0.778 1.00 32.00 O ATOM 1455 CB TYR A 95 -10.998 0.821 -1.939 1.00 35.15 C ATOM 1456 CG TYR A 95 -10.824 0.626 -3.430 1.00 5.50 C ATOM 1457 CD1 TYR A 95 -11.924 0.489 -4.264 1.00 61.32 C ATOM 1458 CD2 TYR A 95 -9.559 0.579 -4.005 1.00 23.12 C ATOM 1459 CE1 TYR A 95 -11.770 0.307 -5.625 1.00 71.42 C ATOM 1460 CE2 TYR A 95 -9.397 0.397 -5.365 1.00 31.51 C ATOM 1461 CZ TYR A 95 -10.504 0.262 -6.170 1.00 13.33 C ATOM 1462 OH TYR A 95 -10.345 0.080 -7.527 1.00 73.21 O ATOM 0 H TYR A 95 -9.055 2.479 -1.674 1.00 72.50 H new ATOM 0 HA TYR A 95 -11.954 2.733 -2.079 1.00 33.25 H new ATOM 0 HB2 TYR A 95 -10.144 0.382 -1.423 1.00 35.15 H new ATOM 0 HB3 TYR A 95 -11.883 0.276 -1.612 1.00 35.15 H new ATOM 0 HD1 TYR A 95 -12.918 0.525 -3.842 1.00 61.32 H new ATOM 0 HD2 TYR A 95 -8.687 0.687 -3.377 1.00 23.12 H new ATOM 0 HE1 TYR A 95 -12.638 0.200 -6.259 1.00 71.42 H new ATOM 0 HE2 TYR A 95 -8.406 0.361 -5.794 1.00 31.51 H new ATOM 0 HH TYR A 95 -10.192 -0.870 -7.714 1.00 73.21 H new ATOM 1472 N ASP A 96 -12.706 2.171 0.331 1.00 12.33 N ATOM 1473 CA ASP A 96 -13.128 2.284 1.724 1.00 75.20 C ATOM 1474 C ASP A 96 -12.833 0.994 2.486 1.00 15.34 C ATOM 1475 O ASP A 96 -12.833 -0.098 1.906 1.00 72.24 O ATOM 1476 CB ASP A 96 -14.616 2.629 1.809 1.00 22.14 C ATOM 1477 CG ASP A 96 -15.057 2.955 3.223 1.00 24.52 C ATOM 1478 OD1 ASP A 96 -14.236 3.476 4.004 1.00 11.13 O ATOM 1479 OD2 ASP A 96 -16.238 2.720 3.552 1.00 4.44 O ATOM 0 H ASP A 96 -13.452 1.921 -0.319 1.00 12.33 H new ATOM 0 HA ASP A 96 -12.560 3.091 2.187 1.00 75.20 H new ATOM 0 HB2 ASP A 96 -14.826 3.480 1.161 1.00 22.14 H new ATOM 0 HB3 ASP A 96 -15.202 1.790 1.433 1.00 22.14 H new ATOM 1484 N THR A 97 -12.602 1.127 3.785 1.00 51.41 N ATOM 1485 CA THR A 97 -12.153 0.018 4.614 1.00 33.04 C ATOM 1486 C THR A 97 -12.944 -0.054 5.918 1.00 33.43 C ATOM 1487 O THR A 97 -13.422 0.964 6.418 1.00 2.41 O ATOM 1488 CB THR A 97 -10.659 0.179 4.954 1.00 20.22 C ATOM 1489 OG1 THR A 97 -10.410 1.494 5.478 1.00 24.44 O ATOM 1490 CG2 THR A 97 -9.792 -0.045 3.731 1.00 65.22 C ATOM 0 H THR A 97 -12.720 2.004 4.292 1.00 51.41 H new ATOM 0 HA THR A 97 -12.313 -0.900 4.048 1.00 33.04 H new ATOM 0 HB THR A 97 -10.405 -0.570 5.704 1.00 20.22 H new ATOM 0 HG1 THR A 97 -9.458 1.586 5.693 1.00 24.44 H new ATOM 0 HG21 THR A 97 -8.743 0.075 4.002 1.00 65.22 H new ATOM 0 HG22 THR A 97 -9.955 -1.053 3.349 1.00 65.22 H new ATOM 0 HG23 THR A 97 -10.054 0.681 2.962 1.00 65.22 H new ATOM 1498 N GLN A 98 -13.079 -1.256 6.463 1.00 72.25 N ATOM 1499 CA GLN A 98 -13.681 -1.440 7.777 1.00 45.22 C ATOM 1500 C GLN A 98 -12.856 -2.425 8.596 1.00 61.51 C ATOM 1501 O GLN A 98 -12.101 -3.224 8.042 1.00 23.42 O ATOM 1502 CB GLN A 98 -15.129 -1.935 7.680 1.00 0.33 C ATOM 1503 CG GLN A 98 -15.276 -3.337 7.105 1.00 13.01 C ATOM 1504 CD GLN A 98 -16.625 -3.963 7.421 1.00 51.54 C ATOM 1505 OE1 GLN A 98 -17.157 -4.755 6.644 1.00 43.52 O ATOM 1506 NE2 GLN A 98 -17.186 -3.622 8.572 1.00 74.20 N ATOM 0 H GLN A 98 -12.779 -2.121 6.013 1.00 72.25 H new ATOM 0 HA GLN A 98 -13.693 -0.468 8.270 1.00 45.22 H new ATOM 0 HB2 GLN A 98 -15.575 -1.915 8.674 1.00 0.33 H new ATOM 0 HB3 GLN A 98 -15.697 -1.240 7.062 1.00 0.33 H new ATOM 0 HG2 GLN A 98 -15.143 -3.298 6.024 1.00 13.01 H new ATOM 0 HG3 GLN A 98 -14.484 -3.972 7.501 1.00 13.01 H new ATOM 0 HE21 GLN A 98 -16.717 -2.962 9.192 1.00 74.20 H new ATOM 0 HE22 GLN A 98 -18.087 -4.019 8.838 1.00 74.20 H new ATOM 1515 N VAL A 99 -12.992 -2.360 9.911 1.00 70.24 N ATOM 1516 CA VAL A 99 -12.291 -3.276 10.798 1.00 43.31 C ATOM 1517 C VAL A 99 -13.293 -4.143 11.547 1.00 53.15 C ATOM 1518 O VAL A 99 -14.013 -3.660 12.421 1.00 52.22 O ATOM 1519 CB VAL A 99 -11.409 -2.522 11.818 1.00 64.15 C ATOM 1520 CG1 VAL A 99 -10.629 -3.497 12.685 1.00 14.12 C ATOM 1521 CG2 VAL A 99 -10.465 -1.565 11.110 1.00 22.05 C ATOM 0 H VAL A 99 -13.583 -1.680 10.389 1.00 70.24 H new ATOM 0 HA VAL A 99 -11.644 -3.899 10.181 1.00 43.31 H new ATOM 0 HB VAL A 99 -12.065 -1.940 12.465 1.00 64.15 H new ATOM 0 HG11 VAL A 99 -10.016 -2.942 13.395 1.00 14.12 H new ATOM 0 HG12 VAL A 99 -11.324 -4.137 13.228 1.00 14.12 H new ATOM 0 HG13 VAL A 99 -9.987 -4.112 12.054 1.00 14.12 H new ATOM 0 HG21 VAL A 99 -9.854 -1.045 11.847 1.00 22.05 H new ATOM 0 HG22 VAL A 99 -9.819 -2.125 10.433 1.00 22.05 H new ATOM 0 HG23 VAL A 99 -11.044 -0.838 10.541 1.00 22.05 H new ATOM 1531 N THR A 100 -13.352 -5.418 11.188 1.00 41.55 N ATOM 1532 CA THR A 100 -14.287 -6.339 11.816 1.00 1.53 C ATOM 1533 C THR A 100 -13.828 -6.722 13.227 1.00 71.52 C ATOM 1534 O THR A 100 -14.364 -6.226 14.219 1.00 14.50 O ATOM 1535 CB THR A 100 -14.524 -7.600 10.942 1.00 63.54 C ATOM 1536 OG1 THR A 100 -15.226 -8.602 11.684 1.00 63.42 O ATOM 1537 CG2 THR A 100 -13.219 -8.178 10.408 1.00 40.33 C ATOM 0 H THR A 100 -12.765 -5.837 10.467 1.00 41.55 H new ATOM 0 HA THR A 100 -15.241 -5.820 11.905 1.00 1.53 H new ATOM 0 HB THR A 100 -15.128 -7.288 10.090 1.00 63.54 H new ATOM 0 HG1 THR A 100 -15.368 -9.389 11.118 1.00 63.42 H new ATOM 0 HG21 THR A 100 -13.432 -9.059 9.802 1.00 40.33 H new ATOM 0 HG22 THR A 100 -12.713 -7.431 9.797 1.00 40.33 H new ATOM 0 HG23 THR A 100 -12.577 -8.459 11.243 1.00 40.33 H new ATOM 1545 N ASN A 101 -12.837 -7.589 13.311 1.00 4.14 N ATOM 1546 CA ASN A 101 -12.265 -7.997 14.591 1.00 12.34 C ATOM 1547 C ASN A 101 -10.770 -8.214 14.442 1.00 60.11 C ATOM 1548 O ASN A 101 -10.321 -9.314 14.125 1.00 62.23 O ATOM 1549 CB ASN A 101 -12.917 -9.278 15.132 1.00 71.32 C ATOM 1550 CG ASN A 101 -14.324 -9.058 15.651 1.00 2.00 C ATOM 1551 OD1 ASN A 101 -14.519 -8.677 16.807 1.00 4.11 O ATOM 1552 ND2 ASN A 101 -15.312 -9.311 14.807 1.00 71.54 N ATOM 0 H ASN A 101 -12.404 -8.032 12.501 1.00 4.14 H new ATOM 0 HA ASN A 101 -12.458 -7.197 15.305 1.00 12.34 H new ATOM 0 HB2 ASN A 101 -12.941 -10.028 14.341 1.00 71.32 H new ATOM 0 HB3 ASN A 101 -12.299 -9.681 15.935 1.00 71.32 H new ATOM 0 HD21 ASN A 101 -16.280 -9.192 15.105 1.00 71.54 H new ATOM 0 HD22 ASN A 101 -15.105 -9.625 13.859 1.00 71.54 H new ATOM 1559 N GLY A 102 -10.008 -7.144 14.618 1.00 33.44 N ATOM 1560 CA GLY A 102 -8.562 -7.229 14.514 1.00 64.32 C ATOM 1561 C GLY A 102 -8.081 -7.380 13.084 1.00 34.43 C ATOM 1562 O GLY A 102 -6.880 -7.437 12.831 1.00 73.24 O ATOM 0 H GLY A 102 -10.366 -6.213 14.832 1.00 33.44 H new ATOM 0 HA2 GLY A 102 -8.118 -6.333 14.949 1.00 64.32 H new ATOM 0 HA3 GLY A 102 -8.210 -8.077 15.102 1.00 64.32 H new ATOM 1566 N ASN A 103 -9.016 -7.436 12.150 1.00 1.14 N ATOM 1567 CA ASN A 103 -8.686 -7.613 10.744 1.00 14.12 C ATOM 1568 C ASN A 103 -9.324 -6.508 9.921 1.00 31.22 C ATOM 1569 O ASN A 103 -10.458 -6.104 10.190 1.00 14.55 O ATOM 1570 CB ASN A 103 -9.156 -8.981 10.238 1.00 22.33 C ATOM 1571 CG ASN A 103 -8.374 -10.138 10.835 1.00 44.12 C ATOM 1572 OD1 ASN A 103 -7.189 -10.013 11.135 1.00 24.31 O ATOM 1573 ND2 ASN A 103 -9.035 -11.273 11.014 1.00 3.52 N ATOM 0 H ASN A 103 -10.015 -7.361 12.341 1.00 1.14 H new ATOM 0 HA ASN A 103 -7.602 -7.564 10.637 1.00 14.12 H new ATOM 0 HB2 ASN A 103 -10.213 -9.105 10.473 1.00 22.33 H new ATOM 0 HB3 ASN A 103 -9.065 -9.011 9.152 1.00 22.33 H new ATOM 0 HD21 ASN A 103 -8.560 -12.082 11.414 1.00 3.52 H new ATOM 0 HD22 ASN A 103 -10.019 -11.337 10.752 1.00 3.52 H new ATOM 1580 N VAL A 104 -8.597 -6.021 8.929 1.00 5.32 N ATOM 1581 CA VAL A 104 -9.069 -4.917 8.107 1.00 4.01 C ATOM 1582 C VAL A 104 -9.610 -5.428 6.777 1.00 72.52 C ATOM 1583 O VAL A 104 -8.980 -6.257 6.116 1.00 4.01 O ATOM 1584 CB VAL A 104 -7.945 -3.894 7.844 1.00 44.14 C ATOM 1585 CG1 VAL A 104 -8.477 -2.686 7.081 1.00 2.34 C ATOM 1586 CG2 VAL A 104 -7.303 -3.461 9.153 1.00 62.51 C ATOM 0 H VAL A 104 -7.675 -6.373 8.672 1.00 5.32 H new ATOM 0 HA VAL A 104 -9.870 -4.423 8.656 1.00 4.01 H new ATOM 0 HB VAL A 104 -7.184 -4.374 7.228 1.00 44.14 H new ATOM 0 HG11 VAL A 104 -7.666 -1.979 6.908 1.00 2.34 H new ATOM 0 HG12 VAL A 104 -8.886 -3.011 6.124 1.00 2.34 H new ATOM 0 HG13 VAL A 104 -9.261 -2.203 7.665 1.00 2.34 H new ATOM 0 HG21 VAL A 104 -6.512 -2.739 8.949 1.00 62.51 H new ATOM 0 HG22 VAL A 104 -8.056 -3.002 9.794 1.00 62.51 H new ATOM 0 HG23 VAL A 104 -6.880 -4.331 9.656 1.00 62.51 H new ATOM 1596 N GLN A 105 -10.780 -4.936 6.396 1.00 10.33 N ATOM 1597 CA GLN A 105 -11.420 -5.348 5.160 1.00 12.25 C ATOM 1598 C GLN A 105 -11.693 -4.133 4.283 1.00 42.11 C ATOM 1599 O GLN A 105 -11.875 -3.027 4.789 1.00 53.24 O ATOM 1600 CB GLN A 105 -12.733 -6.071 5.460 1.00 44.21 C ATOM 1601 CG GLN A 105 -12.623 -7.111 6.560 1.00 54.15 C ATOM 1602 CD GLN A 105 -13.890 -7.920 6.717 1.00 4.34 C ATOM 1603 OE1 GLN A 105 -14.804 -7.531 7.440 1.00 32.54 O ATOM 1604 NE2 GLN A 105 -13.940 -9.067 6.063 1.00 55.02 N ATOM 0 H GLN A 105 -11.307 -4.246 6.931 1.00 10.33 H new ATOM 0 HA GLN A 105 -10.752 -6.029 4.632 1.00 12.25 H new ATOM 0 HB2 GLN A 105 -13.486 -5.335 5.743 1.00 44.21 H new ATOM 0 HB3 GLN A 105 -13.087 -6.555 4.550 1.00 44.21 H new ATOM 0 HG2 GLN A 105 -11.792 -7.781 6.341 1.00 54.15 H new ATOM 0 HG3 GLN A 105 -12.392 -6.615 7.503 1.00 54.15 H new ATOM 0 HE21 GLN A 105 -13.158 -9.352 5.473 1.00 55.02 H new ATOM 0 HE22 GLN A 105 -14.760 -9.667 6.148 1.00 55.02 H new ATOM 1613 N ILE A 106 -11.715 -4.336 2.976 1.00 53.12 N ATOM 1614 CA ILE A 106 -11.995 -3.258 2.037 1.00 52.10 C ATOM 1615 C ILE A 106 -13.199 -3.609 1.174 1.00 44.14 C ATOM 1616 O ILE A 106 -13.522 -4.785 0.994 1.00 60.42 O ATOM 1617 CB ILE A 106 -10.790 -2.939 1.108 1.00 61.33 C ATOM 1618 CG1 ILE A 106 -10.622 -3.992 -0.001 1.00 21.11 C ATOM 1619 CG2 ILE A 106 -9.505 -2.826 1.912 1.00 1.21 C ATOM 1620 CD1 ILE A 106 -10.185 -5.358 0.482 1.00 23.20 C ATOM 0 H ILE A 106 -11.542 -5.241 2.538 1.00 53.12 H new ATOM 0 HA ILE A 106 -12.199 -2.372 2.639 1.00 52.10 H new ATOM 0 HB ILE A 106 -11.001 -1.982 0.632 1.00 61.33 H new ATOM 0 HG12 ILE A 106 -11.569 -4.095 -0.531 1.00 21.11 H new ATOM 0 HG13 ILE A 106 -9.891 -3.626 -0.722 1.00 21.11 H new ATOM 0 HG21 ILE A 106 -8.675 -2.602 1.242 1.00 1.21 H new ATOM 0 HG22 ILE A 106 -9.604 -2.026 2.646 1.00 1.21 H new ATOM 0 HG23 ILE A 106 -9.313 -3.768 2.426 1.00 1.21 H new ATOM 0 HD11 ILE A 106 -10.093 -6.033 -0.369 1.00 23.20 H new ATOM 0 HD12 ILE A 106 -9.221 -5.275 0.985 1.00 23.20 H new ATOM 0 HD13 ILE A 106 -10.925 -5.751 1.179 1.00 23.20 H new ATOM 1632 N SER A 107 -13.866 -2.591 0.658 1.00 22.35 N ATOM 1633 CA SER A 107 -14.970 -2.797 -0.259 1.00 21.32 C ATOM 1634 C SER A 107 -14.411 -2.994 -1.667 1.00 43.01 C ATOM 1635 O SER A 107 -14.009 -2.030 -2.324 1.00 42.33 O ATOM 1636 CB SER A 107 -15.921 -1.594 -0.211 1.00 3.52 C ATOM 1637 OG SER A 107 -17.170 -1.883 -0.820 1.00 62.11 O ATOM 0 H SER A 107 -13.661 -1.612 0.860 1.00 22.35 H new ATOM 0 HA SER A 107 -15.535 -3.684 0.028 1.00 21.32 H new ATOM 0 HB2 SER A 107 -16.082 -1.300 0.826 1.00 3.52 H new ATOM 0 HB3 SER A 107 -15.459 -0.745 -0.715 1.00 3.52 H new ATOM 0 HG SER A 107 -17.039 -2.530 -1.544 1.00 62.11 H new ATOM 1643 N ILE A 108 -14.350 -4.242 -2.117 1.00 25.14 N ATOM 1644 CA ILE A 108 -13.705 -4.551 -3.386 1.00 1.13 C ATOM 1645 C ILE A 108 -14.599 -4.244 -4.585 1.00 13.54 C ATOM 1646 O ILE A 108 -15.335 -5.098 -5.082 1.00 64.33 O ATOM 1647 CB ILE A 108 -13.208 -6.013 -3.469 1.00 3.33 C ATOM 1648 CG1 ILE A 108 -14.326 -7.004 -3.138 1.00 60.12 C ATOM 1649 CG2 ILE A 108 -12.021 -6.219 -2.542 1.00 50.13 C ATOM 1650 CD1 ILE A 108 -13.989 -8.430 -3.513 1.00 34.02 C ATOM 0 H ILE A 108 -14.736 -5.049 -1.627 1.00 25.14 H new ATOM 0 HA ILE A 108 -12.835 -3.896 -3.426 1.00 1.13 H new ATOM 0 HB ILE A 108 -12.892 -6.202 -4.495 1.00 3.33 H new ATOM 0 HG12 ILE A 108 -14.540 -6.957 -2.070 1.00 60.12 H new ATOM 0 HG13 ILE A 108 -15.235 -6.703 -3.659 1.00 60.12 H new ATOM 0 HG21 ILE A 108 -11.681 -7.252 -2.610 1.00 50.13 H new ATOM 0 HG22 ILE A 108 -11.211 -5.551 -2.834 1.00 50.13 H new ATOM 0 HG23 ILE A 108 -12.319 -6.002 -1.516 1.00 50.13 H new ATOM 0 HD11 ILE A 108 -14.823 -9.082 -3.252 1.00 34.02 H new ATOM 0 HD12 ILE A 108 -13.803 -8.490 -4.585 1.00 34.02 H new ATOM 0 HD13 ILE A 108 -13.098 -8.747 -2.972 1.00 34.02 H new ATOM 1662 N ALA A 109 -14.546 -3.004 -5.025 1.00 51.23 N ATOM 1663 CA ALA A 109 -15.169 -2.615 -6.273 1.00 53.54 C ATOM 1664 C ALA A 109 -14.102 -2.579 -7.357 1.00 24.03 C ATOM 1665 O ALA A 109 -13.389 -1.585 -7.501 1.00 42.45 O ATOM 1666 CB ALA A 109 -15.856 -1.262 -6.139 1.00 21.24 C ATOM 0 H ALA A 109 -14.075 -2.244 -4.534 1.00 51.23 H new ATOM 0 HA ALA A 109 -15.937 -3.341 -6.541 1.00 53.54 H new ATOM 0 HB1 ALA A 109 -16.316 -0.992 -7.089 1.00 21.24 H new ATOM 0 HB2 ALA A 109 -16.624 -1.319 -5.367 1.00 21.24 H new ATOM 0 HB3 ALA A 109 -15.120 -0.506 -5.864 1.00 21.24 H new