USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 972 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 -27:sc= 0.396 USER MOD Set 1.2: A 105 GLN : amide:sc= -1.72! C(o=-1.3!,f=-3.1!) USER MOD Set 2.1: A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0147) USER MOD Set 2.2: A 90 TYR OH : rot 30:sc= -0.959 USER MOD Set 3.1: A 75 GLN : amide:sc= -3.67! C(o=-2.4!,f=-4!) USER MOD Set 3.2: A 84 CYS SG : rot -78:sc= 1.27 USER MOD Set 4.1: A 44 ASN : amide:sc= -0.654 X(o=-0.33,f=-0.63!) USER MOD Set 4.2: A 55 SER OG : rot 75:sc= 0.326 USER MOD Set 5.1: A 20 CYS SG : rot 172:sc= -1.3 USER MOD Set 5.2: A 52 SER OG : rot -167:sc= -0.856 USER MOD Set 6.1: A 26 GLN : amide:sc= 1.65 K(o=3.3,f=-3!) USER MOD Set 6.2: A 95 TYR OH : rot -129:sc= 1.64 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0.946 (180deg=0.541) USER MOD Single : A 2 SER OG : rot 180:sc= 0.281 USER MOD Single : A 3 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.77) USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.0343 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.0884 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 1.8 (180deg=1.72) USER MOD Single : A 17 THR OG1 : rot 49:sc= 0.757 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.42) USER MOD Single : A 38 GLN : amide:sc= -0.0895 X(o=-0.09,f=-0.21) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 50 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.23) USER MOD Single : A 62 HIS : no HD1:sc=-0.00104 X(o=-0.001,f=-0.0045) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 70 SER OG : rot 131:sc= -1.18! USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.0735 (180deg=-0.439) USER MOD Single : A 76 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 45:sc= 0.0303 USER MOD Single : A 98 GLN : amide:sc= -0.214! X(o=-0.21!,f=-0.017) USER MOD Single : A 100 THR OG1 : rot -19:sc= 0.108 USER MOD Single : A 101 ASN : amide:sc= -0.576 K(o=-0.58,f=-3.9!) USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 107 SER OG : rot 23:sc= 0.691 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.3) USER MOD Single : A 125 HIS : no HE2:sc= 0.0459 X(o=0.046,f=-0.23) USER MOD Single : A 126 HIS : no HD1:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HE2:sc= 0.135 K(o=0.13,f=-0.63) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.524 -11.115 2.831 1.00 52.12 N ATOM 2 CA MET A 1 -17.850 -10.729 3.367 1.00 24.40 C ATOM 3 C MET A 1 -18.843 -10.492 2.229 1.00 52.45 C ATOM 4 O MET A 1 -19.601 -11.388 1.863 1.00 62.33 O ATOM 5 CB MET A 1 -17.704 -9.472 4.232 1.00 64.14 C ATOM 6 CG MET A 1 -18.941 -9.117 5.041 1.00 35.45 C ATOM 7 SD MET A 1 -18.685 -7.651 6.062 1.00 62.11 S ATOM 8 CE MET A 1 -20.247 -7.565 6.935 1.00 51.52 C ATOM 0 H1 MET A 1 -16.007 -11.665 3.547 1.00 52.12 H new ATOM 0 H2 MET A 1 -16.650 -11.693 1.975 1.00 52.12 H new ATOM 0 H3 MET A 1 -15.983 -10.259 2.594 1.00 52.12 H new ATOM 0 HA MET A 1 -18.237 -11.541 3.983 1.00 24.40 H new ATOM 0 HB2 MET A 1 -16.866 -9.612 4.915 1.00 64.14 H new ATOM 0 HB3 MET A 1 -17.453 -8.630 3.587 1.00 64.14 H new ATOM 0 HG2 MET A 1 -19.779 -8.946 4.365 1.00 35.45 H new ATOM 0 HG3 MET A 1 -19.212 -9.959 5.678 1.00 35.45 H new ATOM 0 HE1 MET A 1 -20.241 -6.707 7.607 1.00 51.52 H new ATOM 0 HE2 MET A 1 -21.060 -7.458 6.217 1.00 51.52 H new ATOM 0 HE3 MET A 1 -20.391 -8.478 7.513 1.00 51.52 H new ATOM 20 N SER A 2 -18.821 -9.293 1.665 1.00 45.53 N ATOM 21 CA SER A 2 -19.681 -8.955 0.537 1.00 1.55 C ATOM 22 C SER A 2 -18.845 -8.324 -0.574 1.00 3.41 C ATOM 23 O SER A 2 -18.441 -8.997 -1.524 1.00 10.14 O ATOM 24 CB SER A 2 -20.785 -8.000 0.995 1.00 11.24 C ATOM 25 OG SER A 2 -20.237 -6.928 1.747 1.00 31.03 O ATOM 0 H SER A 2 -18.214 -8.533 1.971 1.00 45.53 H new ATOM 0 HA SER A 2 -20.148 -9.860 0.149 1.00 1.55 H new ATOM 0 HB2 SER A 2 -21.318 -7.609 0.128 1.00 11.24 H new ATOM 0 HB3 SER A 2 -21.513 -8.541 1.599 1.00 11.24 H new ATOM 0 HG SER A 2 -20.956 -6.326 2.031 1.00 31.03 H new ATOM 31 N GLN A 3 -18.592 -7.029 -0.442 1.00 74.13 N ATOM 32 CA GLN A 3 -17.582 -6.355 -1.243 1.00 31.43 C ATOM 33 C GLN A 3 -16.389 -6.064 -0.361 1.00 60.42 C ATOM 34 O GLN A 3 -15.357 -5.569 -0.806 1.00 20.44 O ATOM 35 CB GLN A 3 -18.131 -5.072 -1.877 1.00 21.44 C ATOM 36 CG GLN A 3 -19.032 -5.333 -3.073 1.00 71.41 C ATOM 37 CD GLN A 3 -18.294 -6.018 -4.209 1.00 22.31 C ATOM 38 OE1 GLN A 3 -18.216 -7.244 -4.267 1.00 31.31 O ATOM 39 NE2 GLN A 3 -17.759 -5.230 -5.127 1.00 43.12 N ATOM 0 H GLN A 3 -19.077 -6.421 0.218 1.00 74.13 H new ATOM 0 HA GLN A 3 -17.281 -7.002 -2.067 1.00 31.43 H new ATOM 0 HB2 GLN A 3 -18.688 -4.513 -1.126 1.00 21.44 H new ATOM 0 HB3 GLN A 3 -17.297 -4.443 -2.189 1.00 21.44 H new ATOM 0 HG2 GLN A 3 -19.874 -5.952 -2.763 1.00 71.41 H new ATOM 0 HG3 GLN A 3 -19.445 -4.389 -3.428 1.00 71.41 H new ATOM 0 HE21 GLN A 3 -17.846 -4.217 -5.043 1.00 43.12 H new ATOM 0 HE22 GLN A 3 -17.260 -5.635 -5.919 1.00 43.12 H new ATOM 48 N TRP A 4 -16.560 -6.409 0.901 1.00 63.52 N ATOM 49 CA TRP A 4 -15.501 -6.303 1.885 1.00 21.53 C ATOM 50 C TRP A 4 -14.655 -7.565 1.857 1.00 33.45 C ATOM 51 O TRP A 4 -15.124 -8.644 2.237 1.00 72.43 O ATOM 52 CB TRP A 4 -16.070 -6.126 3.295 1.00 11.31 C ATOM 53 CG TRP A 4 -16.955 -4.928 3.472 1.00 13.03 C ATOM 54 CD1 TRP A 4 -18.319 -4.906 3.428 1.00 3.53 C ATOM 55 CD2 TRP A 4 -16.542 -3.584 3.742 1.00 74.14 C ATOM 56 NE1 TRP A 4 -18.777 -3.633 3.654 1.00 71.22 N ATOM 57 CE2 TRP A 4 -17.708 -2.802 3.848 1.00 75.13 C ATOM 58 CE3 TRP A 4 -15.300 -2.964 3.906 1.00 75.23 C ATOM 59 CZ2 TRP A 4 -17.669 -1.435 4.110 1.00 41.41 C ATOM 60 CZ3 TRP A 4 -15.264 -1.607 4.165 1.00 51.22 C ATOM 61 CH2 TRP A 4 -16.442 -0.854 4.266 1.00 34.14 C ATOM 0 H TRP A 4 -17.438 -6.771 1.273 1.00 63.52 H new ATOM 0 HA TRP A 4 -14.897 -5.430 1.637 1.00 21.53 H new ATOM 0 HB2 TRP A 4 -16.636 -7.020 3.558 1.00 11.31 H new ATOM 0 HB3 TRP A 4 -15.241 -6.055 3.999 1.00 11.31 H new ATOM 0 HD1 TRP A 4 -18.946 -5.765 3.242 1.00 3.53 H new ATOM 0 HE1 TRP A 4 -19.757 -3.351 3.674 1.00 71.22 H new ATOM 0 HE3 TRP A 4 -14.386 -3.535 3.832 1.00 75.23 H new ATOM 0 HZ2 TRP A 4 -18.576 -0.854 4.187 1.00 41.41 H new ATOM 0 HZ3 TRP A 4 -14.310 -1.117 4.292 1.00 51.22 H new ATOM 0 HH2 TRP A 4 -16.379 0.205 4.471 1.00 34.14 H new ATOM 72 N THR A 5 -13.430 -7.437 1.391 1.00 44.03 N ATOM 73 CA THR A 5 -12.507 -8.554 1.376 1.00 73.04 C ATOM 74 C THR A 5 -11.547 -8.442 2.559 1.00 32.51 C ATOM 75 O THR A 5 -11.057 -7.356 2.869 1.00 22.41 O ATOM 76 CB THR A 5 -11.726 -8.611 0.051 1.00 1.11 C ATOM 77 OG1 THR A 5 -12.644 -8.509 -1.051 1.00 33.41 O ATOM 78 CG2 THR A 5 -10.939 -9.909 -0.061 1.00 50.33 C ATOM 0 H THR A 5 -13.049 -6.568 1.016 1.00 44.03 H new ATOM 0 HA THR A 5 -13.078 -9.478 1.463 1.00 73.04 H new ATOM 0 HB THR A 5 -11.023 -7.778 0.028 1.00 1.11 H new ATOM 0 HG1 THR A 5 -12.219 -8.855 -1.864 1.00 33.41 H new ATOM 0 HG21 THR A 5 -10.396 -9.925 -1.006 1.00 50.33 H new ATOM 0 HG22 THR A 5 -10.232 -9.978 0.765 1.00 50.33 H new ATOM 0 HG23 THR A 5 -11.625 -10.755 -0.023 1.00 50.33 H new ATOM 86 N THR A 6 -11.297 -9.555 3.227 1.00 4.42 N ATOM 87 CA THR A 6 -10.519 -9.544 4.453 1.00 63.34 C ATOM 88 C THR A 6 -9.014 -9.505 4.176 1.00 54.55 C ATOM 89 O THR A 6 -8.484 -10.336 3.440 1.00 40.22 O ATOM 90 CB THR A 6 -10.854 -10.778 5.308 1.00 0.43 C ATOM 91 OG1 THR A 6 -12.277 -10.949 5.366 1.00 73.22 O ATOM 92 CG2 THR A 6 -10.307 -10.630 6.719 1.00 3.15 C ATOM 0 H THR A 6 -11.622 -10.478 2.940 1.00 4.42 H new ATOM 0 HA THR A 6 -10.785 -8.637 4.996 1.00 63.34 H new ATOM 0 HB THR A 6 -10.391 -11.650 4.847 1.00 0.43 H new ATOM 0 HG1 THR A 6 -12.716 -10.081 5.246 1.00 73.22 H new ATOM 0 HG21 THR A 6 -10.558 -11.516 7.301 1.00 3.15 H new ATOM 0 HG22 THR A 6 -9.224 -10.517 6.679 1.00 3.15 H new ATOM 0 HG23 THR A 6 -10.746 -9.750 7.189 1.00 3.15 H new ATOM 100 N VAL A 7 -8.337 -8.531 4.781 1.00 21.03 N ATOM 101 CA VAL A 7 -6.883 -8.403 4.685 1.00 23.24 C ATOM 102 C VAL A 7 -6.219 -9.386 5.653 1.00 52.12 C ATOM 103 O VAL A 7 -4.993 -9.451 5.768 1.00 4.01 O ATOM 104 CB VAL A 7 -6.428 -6.956 5.001 1.00 64.11 C ATOM 105 CG1 VAL A 7 -4.961 -6.746 4.649 1.00 31.11 C ATOM 106 CG2 VAL A 7 -7.296 -5.950 4.264 1.00 40.41 C ATOM 0 H VAL A 7 -8.779 -7.809 5.351 1.00 21.03 H new ATOM 0 HA VAL A 7 -6.581 -8.634 3.664 1.00 23.24 H new ATOM 0 HB VAL A 7 -6.542 -6.800 6.074 1.00 64.11 H new ATOM 0 HG11 VAL A 7 -4.674 -5.721 4.883 1.00 31.11 H new ATOM 0 HG12 VAL A 7 -4.346 -7.436 5.227 1.00 31.11 H new ATOM 0 HG13 VAL A 7 -4.812 -6.931 3.585 1.00 31.11 H new ATOM 0 HG21 VAL A 7 -6.961 -4.940 4.499 1.00 40.41 H new ATOM 0 HG22 VAL A 7 -7.216 -6.119 3.190 1.00 40.41 H new ATOM 0 HG23 VAL A 7 -8.334 -6.069 4.574 1.00 40.41 H new ATOM 116 N CYS A 8 -7.070 -10.111 6.376 1.00 62.33 N ATOM 117 CA CYS A 8 -6.678 -11.257 7.196 1.00 51.11 C ATOM 118 C CYS A 8 -6.264 -10.828 8.596 1.00 41.42 C ATOM 119 O CYS A 8 -6.882 -11.238 9.572 1.00 14.11 O ATOM 120 CB CYS A 8 -5.570 -12.086 6.528 1.00 31.30 C ATOM 121 SG CYS A 8 -5.985 -12.678 4.866 1.00 53.32 S ATOM 0 H CYS A 8 -8.070 -9.915 6.409 1.00 62.33 H new ATOM 0 HA CYS A 8 -7.557 -11.895 7.287 1.00 51.11 H new ATOM 0 HB2 CYS A 8 -4.664 -11.482 6.471 1.00 31.30 H new ATOM 0 HB3 CYS A 8 -5.342 -12.944 7.161 1.00 31.30 H new ATOM 0 HG CYS A 8 -4.989 -13.363 4.388 1.00 53.32 H new ATOM 127 N LYS A 9 -5.234 -9.998 8.703 1.00 3.55 N ATOM 128 CA LYS A 9 -4.763 -9.560 10.010 1.00 15.33 C ATOM 129 C LYS A 9 -4.257 -8.129 9.979 1.00 2.11 C ATOM 130 O LYS A 9 -3.700 -7.678 8.984 1.00 24.31 O ATOM 131 CB LYS A 9 -3.624 -10.450 10.524 1.00 4.32 C ATOM 132 CG LYS A 9 -4.014 -11.877 10.873 1.00 11.22 C ATOM 133 CD LYS A 9 -2.863 -12.596 11.562 1.00 51.02 C ATOM 134 CE LYS A 9 -1.605 -12.579 10.705 1.00 64.55 C ATOM 135 NZ LYS A 9 -0.401 -13.024 11.455 1.00 23.42 N ATOM 0 H LYS A 9 -4.715 -9.619 7.911 1.00 3.55 H new ATOM 0 HA LYS A 9 -5.623 -9.631 10.676 1.00 15.33 H new ATOM 0 HB2 LYS A 9 -2.841 -10.481 9.767 1.00 4.32 H new ATOM 0 HB3 LYS A 9 -3.193 -9.983 11.409 1.00 4.32 H new ATOM 0 HG2 LYS A 9 -4.888 -11.871 11.524 1.00 11.22 H new ATOM 0 HG3 LYS A 9 -4.295 -12.414 9.967 1.00 11.22 H new ATOM 0 HD2 LYS A 9 -2.658 -12.121 12.522 1.00 51.02 H new ATOM 0 HD3 LYS A 9 -3.149 -13.627 11.771 1.00 51.02 H new ATOM 0 HE2 LYS A 9 -1.750 -13.226 9.839 1.00 64.55 H new ATOM 0 HE3 LYS A 9 -1.441 -11.570 10.326 1.00 64.55 H new ATOM 0 HZ1 LYS A 9 0.455 -12.760 10.926 1.00 23.42 H new ATOM 0 HZ2 LYS A 9 -0.386 -12.567 12.389 1.00 23.42 H new ATOM 0 HZ3 LYS A 9 -0.429 -14.057 11.575 1.00 23.42 H new ATOM 149 N LEU A 10 -4.464 -7.435 11.087 1.00 63.32 N ATOM 150 CA LEU A 10 -3.782 -6.179 11.359 1.00 55.43 C ATOM 151 C LEU A 10 -2.427 -6.510 11.966 1.00 12.14 C ATOM 152 O LEU A 10 -1.460 -5.763 11.845 1.00 71.43 O ATOM 153 CB LEU A 10 -4.597 -5.331 12.342 1.00 22.13 C ATOM 154 CG LEU A 10 -3.930 -4.029 12.792 1.00 52.10 C ATOM 155 CD1 LEU A 10 -3.901 -3.024 11.656 1.00 74.54 C ATOM 156 CD2 LEU A 10 -4.645 -3.455 14.003 1.00 64.41 C ATOM 0 H LEU A 10 -5.108 -7.726 11.822 1.00 63.32 H new ATOM 0 HA LEU A 10 -3.664 -5.609 10.437 1.00 55.43 H new ATOM 0 HB2 LEU A 10 -5.554 -5.089 11.880 1.00 22.13 H new ATOM 0 HB3 LEU A 10 -4.812 -5.934 13.224 1.00 22.13 H new ATOM 0 HG LEU A 10 -2.901 -4.249 13.077 1.00 52.10 H new ATOM 0 HD11 LEU A 10 -3.423 -2.105 11.995 1.00 74.54 H new ATOM 0 HD12 LEU A 10 -3.339 -3.438 10.819 1.00 74.54 H new ATOM 0 HD13 LEU A 10 -4.920 -2.806 11.337 1.00 74.54 H new ATOM 0 HD21 LEU A 10 -4.157 -2.530 14.309 1.00 64.41 H new ATOM 0 HD22 LEU A 10 -5.685 -3.250 13.748 1.00 64.41 H new ATOM 0 HD23 LEU A 10 -4.607 -4.173 14.822 1.00 64.41 H new ATOM 168 N ASP A 11 -2.383 -7.680 12.592 1.00 62.05 N ATOM 169 CA ASP A 11 -1.191 -8.197 13.258 1.00 3.32 C ATOM 170 C ASP A 11 -0.042 -8.369 12.280 1.00 34.15 C ATOM 171 O ASP A 11 1.111 -8.081 12.595 1.00 11.10 O ATOM 172 CB ASP A 11 -1.520 -9.545 13.906 1.00 52.50 C ATOM 173 CG ASP A 11 -0.287 -10.367 14.225 1.00 33.24 C ATOM 174 OD1 ASP A 11 0.304 -10.170 15.308 1.00 64.23 O ATOM 175 OD2 ASP A 11 0.088 -11.228 13.397 1.00 53.23 O ATOM 0 H ASP A 11 -3.186 -8.306 12.653 1.00 62.05 H new ATOM 0 HA ASP A 11 -0.883 -7.479 14.018 1.00 3.32 H new ATOM 0 HB2 ASP A 11 -2.082 -9.373 14.824 1.00 52.50 H new ATOM 0 HB3 ASP A 11 -2.166 -10.114 13.238 1.00 52.50 H new ATOM 180 N ASP A 12 -0.370 -8.831 11.086 1.00 33.44 N ATOM 181 CA ASP A 12 0.638 -9.116 10.081 1.00 22.33 C ATOM 182 C ASP A 12 1.114 -7.826 9.436 1.00 51.51 C ATOM 183 O ASP A 12 2.103 -7.810 8.702 1.00 72.00 O ATOM 184 CB ASP A 12 0.072 -10.061 9.023 1.00 3.41 C ATOM 185 CG ASP A 12 1.100 -11.059 8.542 1.00 43.34 C ATOM 186 OD1 ASP A 12 1.282 -12.095 9.224 1.00 53.24 O ATOM 187 OD2 ASP A 12 1.726 -10.823 7.492 1.00 12.41 O ATOM 0 H ASP A 12 -1.328 -9.017 10.789 1.00 33.44 H new ATOM 0 HA ASP A 12 1.488 -9.599 10.562 1.00 22.33 H new ATOM 0 HB2 ASP A 12 -0.785 -10.594 9.435 1.00 3.41 H new ATOM 0 HB3 ASP A 12 -0.292 -9.480 8.176 1.00 3.41 H new ATOM 192 N ILE A 13 0.410 -6.739 9.728 1.00 4.25 N ATOM 193 CA ILE A 13 0.778 -5.439 9.196 1.00 71.43 C ATOM 194 C ILE A 13 1.667 -4.706 10.194 1.00 60.31 C ATOM 195 O ILE A 13 1.226 -4.357 11.289 1.00 31.11 O ATOM 196 CB ILE A 13 -0.461 -4.576 8.881 1.00 41.41 C ATOM 197 CG1 ILE A 13 -1.461 -5.370 8.039 1.00 61.34 C ATOM 198 CG2 ILE A 13 -0.042 -3.308 8.149 1.00 21.43 C ATOM 199 CD1 ILE A 13 -2.764 -4.637 7.790 1.00 55.41 C ATOM 0 H ILE A 13 -0.415 -6.735 10.328 1.00 4.25 H new ATOM 0 HA ILE A 13 1.318 -5.605 8.264 1.00 71.43 H new ATOM 0 HB ILE A 13 -0.942 -4.297 9.818 1.00 41.41 H new ATOM 0 HG12 ILE A 13 -1.003 -5.614 7.081 1.00 61.34 H new ATOM 0 HG13 ILE A 13 -1.675 -6.314 8.540 1.00 61.34 H new ATOM 0 HG21 ILE A 13 -0.924 -2.705 7.931 1.00 21.43 H new ATOM 0 HG22 ILE A 13 0.643 -2.736 8.775 1.00 21.43 H new ATOM 0 HG23 ILE A 13 0.455 -3.574 7.216 1.00 21.43 H new ATOM 0 HD11 ILE A 13 -3.423 -5.261 7.187 1.00 55.41 H new ATOM 0 HD12 ILE A 13 -3.245 -4.416 8.743 1.00 55.41 H new ATOM 0 HD13 ILE A 13 -2.562 -3.705 7.261 1.00 55.41 H new ATOM 211 N LEU A 14 2.919 -4.495 9.820 1.00 43.11 N ATOM 212 CA LEU A 14 3.881 -3.844 10.698 1.00 60.43 C ATOM 213 C LEU A 14 3.552 -2.360 10.884 1.00 33.24 C ATOM 214 O LEU A 14 3.169 -1.676 9.929 1.00 52.12 O ATOM 215 CB LEU A 14 5.291 -3.991 10.129 1.00 54.41 C ATOM 216 CG LEU A 14 5.782 -5.429 9.947 1.00 3.14 C ATOM 217 CD1 LEU A 14 7.179 -5.436 9.342 1.00 33.02 C ATOM 218 CD2 LEU A 14 5.771 -6.175 11.274 1.00 73.50 C ATOM 0 H LEU A 14 3.295 -4.766 8.911 1.00 43.11 H new ATOM 0 HA LEU A 14 3.827 -4.330 11.672 1.00 60.43 H new ATOM 0 HB2 LEU A 14 5.328 -3.488 9.163 1.00 54.41 H new ATOM 0 HB3 LEU A 14 5.986 -3.469 10.787 1.00 54.41 H new ATOM 0 HG LEU A 14 5.104 -5.941 9.264 1.00 3.14 H new ATOM 0 HD11 LEU A 14 7.517 -6.465 9.218 1.00 33.02 H new ATOM 0 HD12 LEU A 14 7.157 -4.941 8.371 1.00 33.02 H new ATOM 0 HD13 LEU A 14 7.865 -4.907 10.004 1.00 33.02 H new ATOM 0 HD21 LEU A 14 6.124 -7.195 11.121 1.00 73.50 H new ATOM 0 HD22 LEU A 14 6.426 -5.667 11.982 1.00 73.50 H new ATOM 0 HD23 LEU A 14 4.756 -6.198 11.670 1.00 73.50 H new ATOM 230 N PRO A 15 3.692 -1.848 12.118 1.00 52.41 N ATOM 231 CA PRO A 15 3.440 -0.440 12.433 1.00 22.35 C ATOM 232 C PRO A 15 4.472 0.487 11.795 1.00 32.22 C ATOM 233 O PRO A 15 5.679 0.285 11.937 1.00 23.13 O ATOM 234 CB PRO A 15 3.538 -0.375 13.966 1.00 72.13 C ATOM 235 CG PRO A 15 3.503 -1.794 14.427 1.00 14.52 C ATOM 236 CD PRO A 15 4.098 -2.602 13.310 1.00 11.24 C ATOM 0 HA PRO A 15 2.475 -0.110 12.048 1.00 22.35 H new ATOM 0 HB2 PRO A 15 4.458 0.117 14.280 1.00 72.13 H new ATOM 0 HB3 PRO A 15 2.711 0.196 14.389 1.00 72.13 H new ATOM 0 HG2 PRO A 15 4.073 -1.920 15.347 1.00 14.52 H new ATOM 0 HG3 PRO A 15 2.482 -2.111 14.638 1.00 14.52 H new ATOM 0 HD2 PRO A 15 5.182 -2.674 13.394 1.00 11.24 H new ATOM 0 HD3 PRO A 15 3.711 -3.621 13.296 1.00 11.24 H new ATOM 244 N GLY A 16 3.987 1.493 11.088 1.00 72.04 N ATOM 245 CA GLY A 16 4.859 2.436 10.427 1.00 72.30 C ATOM 246 C GLY A 16 5.250 1.977 9.039 1.00 0.35 C ATOM 247 O GLY A 16 6.333 2.316 8.556 1.00 14.23 O ATOM 0 H GLY A 16 2.991 1.674 10.959 1.00 72.04 H new ATOM 0 HA2 GLY A 16 4.362 3.404 10.361 1.00 72.30 H new ATOM 0 HA3 GLY A 16 5.758 2.580 11.027 1.00 72.30 H new ATOM 251 N THR A 17 4.367 1.221 8.384 1.00 24.21 N ATOM 252 CA THR A 17 4.687 0.646 7.078 1.00 43.33 C ATOM 253 C THR A 17 3.428 0.236 6.328 1.00 22.34 C ATOM 254 O THR A 17 2.330 0.277 6.882 1.00 0.25 O ATOM 255 CB THR A 17 5.615 -0.582 7.214 1.00 63.13 C ATOM 256 OG1 THR A 17 5.497 -1.147 8.529 1.00 72.12 O ATOM 257 CG2 THR A 17 7.067 -0.216 6.935 1.00 1.14 C ATOM 0 H THR A 17 3.435 0.995 8.732 1.00 24.21 H new ATOM 0 HA THR A 17 5.203 1.423 6.513 1.00 43.33 H new ATOM 0 HB THR A 17 5.304 -1.319 6.474 1.00 63.13 H new ATOM 0 HG1 THR A 17 4.550 -1.263 8.751 1.00 72.12 H new ATOM 0 HG21 THR A 17 7.692 -1.103 7.039 1.00 1.14 H new ATOM 0 HG22 THR A 17 7.156 0.173 5.921 1.00 1.14 H new ATOM 0 HG23 THR A 17 7.394 0.544 7.645 1.00 1.14 H new ATOM 265 N GLY A 18 3.596 -0.154 5.070 1.00 52.24 N ATOM 266 CA GLY A 18 2.481 -0.620 4.273 1.00 31.42 C ATOM 267 C GLY A 18 2.946 -1.360 3.037 1.00 43.54 C ATOM 268 O GLY A 18 3.903 -0.941 2.387 1.00 43.02 O ATOM 0 H GLY A 18 4.494 -0.155 4.586 1.00 52.24 H new ATOM 0 HA2 GLY A 18 1.853 -1.276 4.875 1.00 31.42 H new ATOM 0 HA3 GLY A 18 1.864 0.229 3.978 1.00 31.42 H new ATOM 272 N VAL A 19 2.288 -2.468 2.716 1.00 13.13 N ATOM 273 CA VAL A 19 2.651 -3.261 1.545 1.00 14.14 C ATOM 274 C VAL A 19 1.420 -3.603 0.721 1.00 5.23 C ATOM 275 O VAL A 19 0.289 -3.417 1.179 1.00 14.01 O ATOM 276 CB VAL A 19 3.386 -4.569 1.925 1.00 21.11 C ATOM 277 CG1 VAL A 19 4.738 -4.269 2.554 1.00 24.43 C ATOM 278 CG2 VAL A 19 2.535 -5.421 2.857 1.00 43.45 C ATOM 0 H VAL A 19 1.501 -2.838 3.249 1.00 13.13 H new ATOM 0 HA VAL A 19 3.331 -2.646 0.955 1.00 14.14 H new ATOM 0 HB VAL A 19 3.556 -5.136 1.010 1.00 21.11 H new ATOM 0 HG11 VAL A 19 5.235 -5.204 2.812 1.00 24.43 H new ATOM 0 HG12 VAL A 19 5.354 -3.715 1.846 1.00 24.43 H new ATOM 0 HG13 VAL A 19 4.596 -3.673 3.455 1.00 24.43 H new ATOM 0 HG21 VAL A 19 3.074 -6.334 3.109 1.00 43.45 H new ATOM 0 HG22 VAL A 19 2.322 -4.862 3.768 1.00 43.45 H new ATOM 0 HG23 VAL A 19 1.598 -5.677 2.362 1.00 43.45 H new ATOM 288 N CYS A 20 1.641 -4.097 -0.492 1.00 43.24 N ATOM 289 CA CYS A 20 0.550 -4.443 -1.385 1.00 30.35 C ATOM 290 C CYS A 20 -0.082 -5.770 -1.000 1.00 24.43 C ATOM 291 O CYS A 20 0.526 -6.831 -1.155 1.00 3.31 O ATOM 292 CB CYS A 20 1.048 -4.491 -2.831 1.00 11.43 C ATOM 293 SG CYS A 20 2.763 -5.035 -2.992 1.00 0.34 S ATOM 0 H CYS A 20 2.570 -4.266 -0.877 1.00 43.24 H new ATOM 0 HA CYS A 20 -0.215 -3.672 -1.296 1.00 30.35 H new ATOM 0 HB2 CYS A 20 0.408 -5.162 -3.404 1.00 11.43 H new ATOM 0 HB3 CYS A 20 0.948 -3.500 -3.273 1.00 11.43 H new ATOM 0 HG CYS A 20 3.047 -5.210 -4.249 1.00 0.34 H new ATOM 299 N ALA A 21 -1.297 -5.701 -0.483 1.00 31.23 N ATOM 300 CA ALA A 21 -2.061 -6.891 -0.172 1.00 61.32 C ATOM 301 C ALA A 21 -2.575 -7.511 -1.462 1.00 34.42 C ATOM 302 O ALA A 21 -3.465 -6.964 -2.114 1.00 74.15 O ATOM 303 CB ALA A 21 -3.212 -6.559 0.766 1.00 21.33 C ATOM 0 H ALA A 21 -1.776 -4.826 -0.270 1.00 31.23 H new ATOM 0 HA ALA A 21 -1.417 -7.609 0.335 1.00 61.32 H new ATOM 0 HB1 ALA A 21 -3.774 -7.466 0.988 1.00 21.33 H new ATOM 0 HB2 ALA A 21 -2.818 -6.141 1.692 1.00 21.33 H new ATOM 0 HB3 ALA A 21 -3.870 -5.831 0.291 1.00 21.33 H new ATOM 309 N LEU A 22 -1.977 -8.626 -1.850 1.00 33.31 N ATOM 310 CA LEU A 22 -2.359 -9.301 -3.078 1.00 33.42 C ATOM 311 C LEU A 22 -3.643 -10.086 -2.854 1.00 35.11 C ATOM 312 O LEU A 22 -3.646 -11.127 -2.192 1.00 64.33 O ATOM 313 CB LEU A 22 -1.219 -10.218 -3.561 1.00 50.42 C ATOM 314 CG LEU A 22 -1.369 -10.835 -4.965 1.00 13.41 C ATOM 315 CD1 LEU A 22 -2.288 -12.049 -4.949 1.00 53.34 C ATOM 316 CD2 LEU A 22 -1.879 -9.796 -5.955 1.00 23.33 C ATOM 0 H LEU A 22 -1.226 -9.082 -1.332 1.00 33.31 H new ATOM 0 HA LEU A 22 -2.541 -8.560 -3.856 1.00 33.42 H new ATOM 0 HB2 LEU A 22 -0.291 -9.646 -3.539 1.00 50.42 H new ATOM 0 HB3 LEU A 22 -1.110 -11.031 -2.843 1.00 50.42 H new ATOM 0 HG LEU A 22 -0.382 -11.170 -5.284 1.00 13.41 H new ATOM 0 HD11 LEU A 22 -2.369 -12.457 -5.956 1.00 53.34 H new ATOM 0 HD12 LEU A 22 -1.877 -12.807 -4.282 1.00 53.34 H new ATOM 0 HD13 LEU A 22 -3.276 -11.753 -4.597 1.00 53.34 H new ATOM 0 HD21 LEU A 22 -1.978 -10.251 -6.941 1.00 23.33 H new ATOM 0 HD22 LEU A 22 -2.850 -9.426 -5.626 1.00 23.33 H new ATOM 0 HD23 LEU A 22 -1.174 -8.967 -6.007 1.00 23.33 H new ATOM 328 N VAL A 23 -4.733 -9.565 -3.383 1.00 55.04 N ATOM 329 CA VAL A 23 -6.019 -10.225 -3.279 1.00 44.11 C ATOM 330 C VAL A 23 -6.544 -10.565 -4.667 1.00 63.12 C ATOM 331 O VAL A 23 -7.183 -9.732 -5.318 1.00 55.13 O ATOM 332 CB VAL A 23 -7.057 -9.357 -2.536 1.00 51.23 C ATOM 333 CG1 VAL A 23 -8.373 -10.107 -2.387 1.00 14.51 C ATOM 334 CG2 VAL A 23 -6.533 -8.929 -1.173 1.00 14.12 C ATOM 0 H VAL A 23 -4.753 -8.681 -3.892 1.00 55.04 H new ATOM 0 HA VAL A 23 -5.870 -11.138 -2.702 1.00 44.11 H new ATOM 0 HB VAL A 23 -7.233 -8.460 -3.130 1.00 51.23 H new ATOM 0 HG11 VAL A 23 -9.092 -9.479 -1.861 1.00 14.51 H new ATOM 0 HG12 VAL A 23 -8.763 -10.357 -3.374 1.00 14.51 H new ATOM 0 HG13 VAL A 23 -8.208 -11.023 -1.820 1.00 14.51 H new ATOM 0 HG21 VAL A 23 -7.283 -8.319 -0.670 1.00 14.12 H new ATOM 0 HG22 VAL A 23 -6.321 -9.813 -0.571 1.00 14.12 H new ATOM 0 HG23 VAL A 23 -5.619 -8.349 -1.300 1.00 14.12 H new ATOM 344 N GLU A 24 -6.228 -11.775 -5.120 1.00 13.12 N ATOM 345 CA GLU A 24 -6.676 -12.286 -6.417 1.00 1.23 C ATOM 346 C GLU A 24 -6.154 -11.440 -7.578 1.00 40.42 C ATOM 347 O GLU A 24 -5.119 -11.744 -8.166 1.00 41.44 O ATOM 348 CB GLU A 24 -8.206 -12.373 -6.469 1.00 4.24 C ATOM 349 CG GLU A 24 -8.794 -13.349 -5.463 1.00 43.23 C ATOM 350 CD GLU A 24 -8.286 -14.759 -5.665 1.00 70.43 C ATOM 351 OE1 GLU A 24 -8.799 -15.451 -6.567 1.00 34.24 O ATOM 352 OE2 GLU A 24 -7.365 -15.178 -4.930 1.00 64.02 O ATOM 0 H GLU A 24 -5.651 -12.434 -4.597 1.00 13.12 H new ATOM 0 HA GLU A 24 -6.261 -13.288 -6.526 1.00 1.23 H new ATOM 0 HB2 GLU A 24 -8.624 -11.383 -6.289 1.00 4.24 H new ATOM 0 HB3 GLU A 24 -8.511 -12.670 -7.472 1.00 4.24 H new ATOM 0 HG2 GLU A 24 -8.549 -13.018 -4.454 1.00 43.23 H new ATOM 0 HG3 GLU A 24 -9.881 -13.342 -5.546 1.00 43.23 H new ATOM 359 N GLN A 25 -6.869 -10.373 -7.889 1.00 73.33 N ATOM 360 CA GLN A 25 -6.535 -9.529 -9.025 1.00 4.34 C ATOM 361 C GLN A 25 -6.219 -8.105 -8.569 1.00 55.21 C ATOM 362 O GLN A 25 -5.868 -7.243 -9.379 1.00 4.13 O ATOM 363 CB GLN A 25 -7.704 -9.507 -10.016 1.00 64.31 C ATOM 364 CG GLN A 25 -8.979 -8.927 -9.423 1.00 64.21 C ATOM 365 CD GLN A 25 -10.131 -8.909 -10.408 1.00 72.34 C ATOM 366 OE1 GLN A 25 -10.916 -9.851 -10.481 1.00 23.44 O ATOM 367 NE2 GLN A 25 -10.240 -7.839 -11.176 1.00 32.20 N ATOM 0 H GLN A 25 -7.691 -10.068 -7.367 1.00 73.33 H new ATOM 0 HA GLN A 25 -5.651 -9.940 -9.512 1.00 4.34 H new ATOM 0 HB2 GLN A 25 -7.419 -8.923 -10.891 1.00 64.31 H new ATOM 0 HB3 GLN A 25 -7.900 -10.523 -10.360 1.00 64.31 H new ATOM 0 HG2 GLN A 25 -9.265 -9.510 -8.548 1.00 64.21 H new ATOM 0 HG3 GLN A 25 -8.785 -7.911 -9.080 1.00 64.21 H new ATOM 0 HE21 GLN A 25 -9.569 -7.076 -11.086 1.00 32.20 H new ATOM 0 HE22 GLN A 25 -10.996 -7.776 -11.858 1.00 32.20 H new ATOM 376 N GLN A 26 -6.338 -7.862 -7.274 1.00 1.33 N ATOM 377 CA GLN A 26 -6.181 -6.518 -6.745 1.00 75.11 C ATOM 378 C GLN A 26 -4.889 -6.386 -5.950 1.00 13.21 C ATOM 379 O GLN A 26 -4.512 -7.292 -5.201 1.00 44.10 O ATOM 380 CB GLN A 26 -7.366 -6.155 -5.846 1.00 34.31 C ATOM 381 CG GLN A 26 -7.601 -4.660 -5.739 1.00 10.42 C ATOM 382 CD GLN A 26 -8.458 -4.131 -6.875 1.00 21.02 C ATOM 383 OE1 GLN A 26 -9.676 -4.029 -6.747 1.00 31.21 O ATOM 384 NE2 GLN A 26 -7.835 -3.809 -8.001 1.00 54.42 N ATOM 0 H GLN A 26 -6.542 -8.574 -6.573 1.00 1.33 H new ATOM 0 HA GLN A 26 -6.143 -5.834 -7.593 1.00 75.11 H new ATOM 0 HB2 GLN A 26 -8.267 -6.631 -6.234 1.00 34.31 H new ATOM 0 HB3 GLN A 26 -7.195 -6.561 -4.849 1.00 34.31 H new ATOM 0 HG2 GLN A 26 -8.084 -4.437 -4.788 1.00 10.42 H new ATOM 0 HG3 GLN A 26 -6.642 -4.142 -5.738 1.00 10.42 H new ATOM 0 HE21 GLN A 26 -6.822 -3.907 -8.069 1.00 54.42 H new ATOM 0 HE22 GLN A 26 -8.369 -3.463 -8.798 1.00 54.42 H new ATOM 393 N GLN A 27 -4.215 -5.257 -6.122 1.00 32.21 N ATOM 394 CA GLN A 27 -3.044 -4.925 -5.323 1.00 13.21 C ATOM 395 C GLN A 27 -3.197 -3.529 -4.740 1.00 54.20 C ATOM 396 O GLN A 27 -3.224 -2.544 -5.476 1.00 13.11 O ATOM 397 CB GLN A 27 -1.760 -4.982 -6.154 1.00 51.10 C ATOM 398 CG GLN A 27 -1.398 -6.367 -6.655 1.00 54.03 C ATOM 399 CD GLN A 27 -0.049 -6.391 -7.351 1.00 42.12 C ATOM 400 OE1 GLN A 27 0.045 -6.176 -8.557 1.00 75.14 O ATOM 401 NE2 GLN A 27 1.007 -6.650 -6.592 1.00 13.31 N ATOM 0 H GLN A 27 -4.462 -4.550 -6.814 1.00 32.21 H new ATOM 0 HA GLN A 27 -2.970 -5.662 -4.523 1.00 13.21 H new ATOM 0 HB2 GLN A 27 -1.866 -4.316 -7.010 1.00 51.10 H new ATOM 0 HB3 GLN A 27 -0.935 -4.600 -5.553 1.00 51.10 H new ATOM 0 HG2 GLN A 27 -1.384 -7.063 -5.816 1.00 54.03 H new ATOM 0 HG3 GLN A 27 -2.167 -6.714 -7.345 1.00 54.03 H new ATOM 0 HE21 GLN A 27 0.888 -6.823 -5.594 1.00 13.31 H new ATOM 0 HE22 GLN A 27 1.939 -6.676 -7.006 1.00 13.31 H new ATOM 410 N ILE A 28 -3.323 -3.449 -3.428 1.00 25.42 N ATOM 411 CA ILE A 28 -3.401 -2.167 -2.743 1.00 73.42 C ATOM 412 C ILE A 28 -2.464 -2.143 -1.544 1.00 13.00 C ATOM 413 O ILE A 28 -2.280 -3.152 -0.865 1.00 40.43 O ATOM 414 CB ILE A 28 -4.844 -1.822 -2.302 1.00 42.12 C ATOM 415 CG1 ILE A 28 -5.657 -3.083 -1.968 1.00 41.42 C ATOM 416 CG2 ILE A 28 -5.549 -1.004 -3.375 1.00 62.02 C ATOM 417 CD1 ILE A 28 -5.323 -3.706 -0.629 1.00 63.20 C ATOM 0 H ILE A 28 -3.374 -4.260 -2.811 1.00 25.42 H new ATOM 0 HA ILE A 28 -3.089 -1.405 -3.457 1.00 73.42 H new ATOM 0 HB ILE A 28 -4.774 -1.226 -1.392 1.00 42.12 H new ATOM 0 HG12 ILE A 28 -6.717 -2.832 -1.984 1.00 41.42 H new ATOM 0 HG13 ILE A 28 -5.494 -3.824 -2.751 1.00 41.42 H new ATOM 0 HG21 ILE A 28 -6.562 -0.771 -3.048 1.00 62.02 H new ATOM 0 HG22 ILE A 28 -5.000 -0.078 -3.545 1.00 62.02 H new ATOM 0 HG23 ILE A 28 -5.590 -1.577 -4.301 1.00 62.02 H new ATOM 0 HD11 ILE A 28 -5.942 -4.590 -0.474 1.00 63.20 H new ATOM 0 HD12 ILE A 28 -4.271 -3.993 -0.613 1.00 63.20 H new ATOM 0 HD13 ILE A 28 -5.514 -2.985 0.166 1.00 63.20 H new ATOM 429 N ALA A 29 -1.857 -0.993 -1.313 1.00 64.11 N ATOM 430 CA ALA A 29 -0.905 -0.832 -0.231 1.00 35.44 C ATOM 431 C ALA A 29 -1.633 -0.476 1.049 1.00 53.24 C ATOM 432 O ALA A 29 -2.333 0.533 1.105 1.00 2.44 O ATOM 433 CB ALA A 29 0.108 0.243 -0.574 1.00 62.14 C ATOM 0 H ALA A 29 -2.009 -0.150 -1.867 1.00 64.11 H new ATOM 0 HA ALA A 29 -0.375 -1.773 -0.087 1.00 35.44 H new ATOM 0 HB1 ALA A 29 0.815 0.352 0.248 1.00 62.14 H new ATOM 0 HB2 ALA A 29 0.645 -0.039 -1.480 1.00 62.14 H new ATOM 0 HB3 ALA A 29 -0.407 1.190 -0.737 1.00 62.14 H new ATOM 439 N VAL A 30 -1.474 -1.307 2.065 1.00 51.21 N ATOM 440 CA VAL A 30 -2.172 -1.098 3.325 1.00 12.33 C ATOM 441 C VAL A 30 -1.241 -0.478 4.357 1.00 10.34 C ATOM 442 O VAL A 30 -0.414 -1.164 4.960 1.00 33.02 O ATOM 443 CB VAL A 30 -2.761 -2.414 3.884 1.00 53.45 C ATOM 444 CG1 VAL A 30 -3.596 -2.150 5.127 1.00 44.52 C ATOM 445 CG2 VAL A 30 -3.595 -3.127 2.827 1.00 44.50 C ATOM 0 H VAL A 30 -0.871 -2.129 2.044 1.00 51.21 H new ATOM 0 HA VAL A 30 -2.998 -0.416 3.123 1.00 12.33 H new ATOM 0 HB VAL A 30 -1.929 -3.061 4.161 1.00 53.45 H new ATOM 0 HG11 VAL A 30 -3.999 -3.091 5.501 1.00 44.52 H new ATOM 0 HG12 VAL A 30 -2.972 -1.692 5.894 1.00 44.52 H new ATOM 0 HG13 VAL A 30 -4.417 -1.477 4.878 1.00 44.52 H new ATOM 0 HG21 VAL A 30 -3.999 -4.050 3.244 1.00 44.50 H new ATOM 0 HG22 VAL A 30 -4.415 -2.481 2.514 1.00 44.50 H new ATOM 0 HG23 VAL A 30 -2.969 -3.361 1.966 1.00 44.50 H new ATOM 455 N PHE A 31 -1.366 0.828 4.529 1.00 5.20 N ATOM 456 CA PHE A 31 -0.579 1.563 5.506 1.00 22.10 C ATOM 457 C PHE A 31 -1.043 1.264 6.920 1.00 5.32 C ATOM 458 O PHE A 31 -2.242 1.256 7.194 1.00 3.43 O ATOM 459 CB PHE A 31 -0.708 3.071 5.283 1.00 22.53 C ATOM 460 CG PHE A 31 0.070 3.612 4.124 1.00 12.14 C ATOM 461 CD1 PHE A 31 -0.419 3.522 2.834 1.00 3.20 C ATOM 462 CD2 PHE A 31 1.290 4.234 4.335 1.00 63.31 C ATOM 463 CE1 PHE A 31 0.294 4.043 1.774 1.00 44.15 C ATOM 464 CE2 PHE A 31 2.005 4.760 3.280 1.00 75.45 C ATOM 465 CZ PHE A 31 1.508 4.663 1.998 1.00 31.20 C ATOM 0 H PHE A 31 -2.015 1.408 3.996 1.00 5.20 H new ATOM 0 HA PHE A 31 0.457 1.248 5.379 1.00 22.10 H new ATOM 0 HB2 PHE A 31 -1.761 3.312 5.138 1.00 22.53 H new ATOM 0 HB3 PHE A 31 -0.385 3.585 6.188 1.00 22.53 H new ATOM 0 HD1 PHE A 31 -1.368 3.039 2.654 1.00 3.20 H new ATOM 0 HD2 PHE A 31 1.685 4.308 5.337 1.00 63.31 H new ATOM 0 HE1 PHE A 31 -0.097 3.966 0.770 1.00 44.15 H new ATOM 0 HE2 PHE A 31 2.952 5.247 3.458 1.00 75.45 H new ATOM 0 HZ PHE A 31 2.067 5.071 1.169 1.00 31.20 H new ATOM 475 N ARG A 32 -0.098 1.021 7.811 1.00 71.41 N ATOM 476 CA ARG A 32 -0.387 1.040 9.232 1.00 32.11 C ATOM 477 C ARG A 32 0.480 2.090 9.901 1.00 32.31 C ATOM 478 O ARG A 32 1.527 1.776 10.444 1.00 22.23 O ATOM 479 CB ARG A 32 -0.174 -0.329 9.888 1.00 52.40 C ATOM 480 CG ARG A 32 -0.634 -0.376 11.341 1.00 22.34 C ATOM 481 CD ARG A 32 -0.347 -1.723 11.982 1.00 4.04 C ATOM 482 NE ARG A 32 -0.810 -1.784 13.369 1.00 3.52 N ATOM 483 CZ ARG A 32 -0.651 -2.852 14.158 1.00 4.34 C ATOM 484 NH1 ARG A 32 -0.006 -3.924 13.713 1.00 12.22 N ATOM 485 NH2 ARG A 32 -1.128 -2.843 15.396 1.00 31.22 N ATOM 0 H ARG A 32 0.872 0.809 7.576 1.00 71.41 H new ATOM 0 HA ARG A 32 -1.441 1.288 9.361 1.00 32.11 H new ATOM 0 HB2 ARG A 32 -0.713 -1.086 9.318 1.00 52.40 H new ATOM 0 HB3 ARG A 32 0.884 -0.587 9.840 1.00 52.40 H new ATOM 0 HG2 ARG A 32 -0.132 0.409 11.906 1.00 22.34 H new ATOM 0 HG3 ARG A 32 -1.703 -0.171 11.390 1.00 22.34 H new ATOM 0 HD2 ARG A 32 -0.832 -2.510 11.404 1.00 4.04 H new ATOM 0 HD3 ARG A 32 0.725 -1.918 11.949 1.00 4.04 H new ATOM 0 HE ARG A 32 -1.281 -0.966 13.756 1.00 3.52 H new ATOM 0 HH11 ARG A 32 0.371 -3.935 12.765 1.00 12.22 H new ATOM 0 HH12 ARG A 32 0.113 -4.736 14.319 1.00 12.22 H new ATOM 0 HH21 ARG A 32 -1.617 -2.020 15.748 1.00 31.22 H new ATOM 0 HH22 ARG A 32 -1.005 -3.659 15.996 1.00 31.22 H new ATOM 499 N PRO A 33 0.065 3.364 9.836 1.00 11.14 N ATOM 500 CA PRO A 33 0.858 4.484 10.344 1.00 24.43 C ATOM 501 C PRO A 33 1.047 4.434 11.853 1.00 73.14 C ATOM 502 O PRO A 33 2.081 4.855 12.368 1.00 74.40 O ATOM 503 CB PRO A 33 0.044 5.725 9.952 1.00 24.33 C ATOM 504 CG PRO A 33 -0.923 5.251 8.923 1.00 0.12 C ATOM 505 CD PRO A 33 -1.207 3.817 9.259 1.00 12.25 C ATOM 0 HA PRO A 33 1.866 4.473 9.930 1.00 24.43 H new ATOM 0 HB2 PRO A 33 -0.474 6.145 10.815 1.00 24.33 H new ATOM 0 HB3 PRO A 33 0.689 6.509 9.555 1.00 24.33 H new ATOM 0 HG2 PRO A 33 -1.837 5.845 8.942 1.00 0.12 H new ATOM 0 HG3 PRO A 33 -0.504 5.342 7.921 1.00 0.12 H new ATOM 0 HD2 PRO A 33 -2.030 3.722 9.968 1.00 12.25 H new ATOM 0 HD3 PRO A 33 -1.479 3.240 8.375 1.00 12.25 H new ATOM 513 N ARG A 34 0.051 3.912 12.563 1.00 21.30 N ATOM 514 CA ARG A 34 0.095 3.889 14.017 1.00 74.13 C ATOM 515 C ARG A 34 -0.310 2.522 14.567 1.00 51.22 C ATOM 516 O ARG A 34 -0.389 1.543 13.828 1.00 71.11 O ATOM 517 CB ARG A 34 -0.770 5.019 14.590 1.00 35.01 C ATOM 518 CG ARG A 34 -0.224 6.395 14.233 1.00 71.14 C ATOM 519 CD ARG A 34 -1.065 7.535 14.784 1.00 2.53 C ATOM 520 NE ARG A 34 -0.506 8.834 14.396 1.00 5.25 N ATOM 521 CZ ARG A 34 -0.942 10.012 14.837 1.00 73.25 C ATOM 522 NH1 ARG A 34 -1.961 10.083 15.684 1.00 30.11 N ATOM 523 NH2 ARG A 34 -0.355 11.123 14.424 1.00 2.12 N ATOM 0 H ARG A 34 -0.790 3.502 12.156 1.00 21.30 H new ATOM 0 HA ARG A 34 1.123 4.059 14.335 1.00 74.13 H new ATOM 0 HB2 ARG A 34 -1.788 4.924 14.211 1.00 35.01 H new ATOM 0 HB3 ARG A 34 -0.823 4.920 15.674 1.00 35.01 H new ATOM 0 HG2 ARG A 34 0.793 6.485 14.614 1.00 71.14 H new ATOM 0 HG3 ARG A 34 -0.167 6.486 13.148 1.00 71.14 H new ATOM 0 HD2 ARG A 34 -2.087 7.450 14.415 1.00 2.53 H new ATOM 0 HD3 ARG A 34 -1.112 7.465 15.871 1.00 2.53 H new ATOM 0 HE ARG A 34 0.275 8.835 13.740 1.00 5.25 H new ATOM 0 HH11 ARG A 34 -2.419 9.229 16.004 1.00 30.11 H new ATOM 0 HH12 ARG A 34 -2.287 10.991 16.015 1.00 30.11 H new ATOM 0 HH21 ARG A 34 0.427 11.074 13.771 1.00 2.12 H new ATOM 0 HH22 ARG A 34 -0.685 12.029 14.758 1.00 2.12 H new ATOM 537 N ASN A 35 -0.568 2.466 15.866 1.00 34.40 N ATOM 538 CA ASN A 35 -0.669 1.197 16.584 1.00 41.23 C ATOM 539 C ASN A 35 -2.022 0.507 16.401 1.00 2.34 C ATOM 540 O ASN A 35 -2.144 -0.698 16.605 1.00 23.23 O ATOM 541 CB ASN A 35 -0.409 1.443 18.074 1.00 74.34 C ATOM 542 CG ASN A 35 -0.428 0.172 18.903 1.00 54.40 C ATOM 543 OD1 ASN A 35 0.001 -0.891 18.454 1.00 41.22 O ATOM 544 ND2 ASN A 35 -0.939 0.269 20.118 1.00 43.34 N ATOM 0 H ASN A 35 -0.713 3.289 16.450 1.00 34.40 H new ATOM 0 HA ASN A 35 0.081 0.526 16.164 1.00 41.23 H new ATOM 0 HB2 ASN A 35 0.559 1.931 18.191 1.00 74.34 H new ATOM 0 HB3 ASN A 35 -1.162 2.131 18.459 1.00 74.34 H new ATOM 0 HD21 ASN A 35 -0.988 -0.554 20.718 1.00 43.34 H new ATOM 0 HD22 ASN A 35 -1.285 1.167 20.456 1.00 43.34 H new ATOM 551 N ASP A 36 -3.023 1.247 15.985 1.00 45.40 N ATOM 552 CA ASP A 36 -4.389 0.734 16.015 1.00 1.05 C ATOM 553 C ASP A 36 -4.946 0.484 14.615 1.00 0.22 C ATOM 554 O ASP A 36 -4.199 0.458 13.637 1.00 23.25 O ATOM 555 CB ASP A 36 -5.293 1.685 16.805 1.00 33.32 C ATOM 556 CG ASP A 36 -5.380 3.066 16.198 1.00 41.52 C ATOM 557 OD1 ASP A 36 -4.343 3.759 16.128 1.00 10.43 O ATOM 558 OD2 ASP A 36 -6.493 3.475 15.825 1.00 11.10 O ATOM 0 H ASP A 36 -2.928 2.196 15.624 1.00 45.40 H new ATOM 0 HA ASP A 36 -4.366 -0.232 16.519 1.00 1.05 H new ATOM 0 HB2 ASP A 36 -6.294 1.258 16.865 1.00 33.32 H new ATOM 0 HB3 ASP A 36 -4.919 1.767 17.826 1.00 33.32 H new ATOM 563 N GLU A 37 -6.267 0.303 14.542 1.00 33.31 N ATOM 564 CA GLU A 37 -6.958 -0.119 13.316 1.00 25.13 C ATOM 565 C GLU A 37 -6.964 0.957 12.228 1.00 71.51 C ATOM 566 O GLU A 37 -7.616 0.797 11.192 1.00 33.03 O ATOM 567 CB GLU A 37 -8.401 -0.502 13.655 1.00 70.41 C ATOM 568 CG GLU A 37 -8.526 -1.721 14.557 1.00 25.10 C ATOM 569 CD GLU A 37 -8.512 -3.033 13.796 1.00 3.34 C ATOM 570 OE1 GLU A 37 -7.630 -3.220 12.938 1.00 30.21 O ATOM 571 OE2 GLU A 37 -9.388 -3.886 14.072 1.00 74.23 O ATOM 0 H GLU A 37 -6.893 0.445 15.335 1.00 33.31 H new ATOM 0 HA GLU A 37 -6.409 -0.973 12.918 1.00 25.13 H new ATOM 0 HB2 GLU A 37 -8.886 0.346 14.139 1.00 70.41 H new ATOM 0 HB3 GLU A 37 -8.942 -0.692 12.728 1.00 70.41 H new ATOM 0 HG2 GLU A 37 -7.707 -1.717 15.277 1.00 25.10 H new ATOM 0 HG3 GLU A 37 -9.452 -1.649 15.127 1.00 25.10 H new ATOM 578 N GLN A 38 -6.253 2.051 12.455 1.00 51.31 N ATOM 579 CA GLN A 38 -6.162 3.117 11.466 1.00 13.14 C ATOM 580 C GLN A 38 -5.250 2.709 10.314 1.00 70.13 C ATOM 581 O GLN A 38 -4.060 3.026 10.304 1.00 4.21 O ATOM 582 CB GLN A 38 -5.657 4.411 12.106 1.00 12.03 C ATOM 583 CG GLN A 38 -6.611 4.992 13.133 1.00 30.04 C ATOM 584 CD GLN A 38 -7.928 5.430 12.523 1.00 34.41 C ATOM 585 OE1 GLN A 38 -8.881 4.657 12.437 1.00 45.35 O ATOM 586 NE2 GLN A 38 -7.986 6.681 12.094 1.00 61.53 N ATOM 0 H GLN A 38 -5.731 2.225 13.314 1.00 51.31 H new ATOM 0 HA GLN A 38 -7.162 3.294 11.071 1.00 13.14 H new ATOM 0 HB2 GLN A 38 -4.695 4.220 12.582 1.00 12.03 H new ATOM 0 HB3 GLN A 38 -5.484 5.150 11.324 1.00 12.03 H new ATOM 0 HG2 GLN A 38 -6.803 4.249 13.907 1.00 30.04 H new ATOM 0 HG3 GLN A 38 -6.139 5.845 13.620 1.00 30.04 H new ATOM 0 HE21 GLN A 38 -7.172 7.289 12.184 1.00 61.53 H new ATOM 0 HE22 GLN A 38 -8.844 7.037 11.673 1.00 61.53 H new ATOM 595 N VAL A 39 -5.811 1.977 9.364 1.00 5.44 N ATOM 596 CA VAL A 39 -5.070 1.538 8.195 1.00 14.53 C ATOM 597 C VAL A 39 -5.531 2.285 6.951 1.00 14.35 C ATOM 598 O VAL A 39 -6.627 2.843 6.922 1.00 13.53 O ATOM 599 CB VAL A 39 -5.224 0.022 7.960 1.00 34.05 C ATOM 600 CG1 VAL A 39 -4.548 -0.763 9.071 1.00 62.45 C ATOM 601 CG2 VAL A 39 -6.693 -0.363 7.856 1.00 64.44 C ATOM 0 H VAL A 39 -6.785 1.673 9.382 1.00 5.44 H new ATOM 0 HA VAL A 39 -4.019 1.757 8.384 1.00 14.53 H new ATOM 0 HB VAL A 39 -4.738 -0.225 7.016 1.00 34.05 H new ATOM 0 HG11 VAL A 39 -4.668 -1.831 8.887 1.00 62.45 H new ATOM 0 HG12 VAL A 39 -3.487 -0.516 9.097 1.00 62.45 H new ATOM 0 HG13 VAL A 39 -5.004 -0.506 10.027 1.00 62.45 H new ATOM 0 HG21 VAL A 39 -6.777 -1.437 7.690 1.00 64.44 H new ATOM 0 HG22 VAL A 39 -7.205 -0.098 8.781 1.00 64.44 H new ATOM 0 HG23 VAL A 39 -7.151 0.170 7.022 1.00 64.44 H new ATOM 611 N TYR A 40 -4.690 2.299 5.932 1.00 41.34 N ATOM 612 CA TYR A 40 -5.009 2.989 4.691 1.00 23.51 C ATOM 613 C TYR A 40 -4.645 2.128 3.497 1.00 25.42 C ATOM 614 O TYR A 40 -3.469 1.917 3.215 1.00 42.12 O ATOM 615 CB TYR A 40 -4.274 4.329 4.615 1.00 14.45 C ATOM 616 CG TYR A 40 -4.725 5.316 5.663 1.00 45.42 C ATOM 617 CD1 TYR A 40 -5.888 6.049 5.490 1.00 23.31 C ATOM 618 CD2 TYR A 40 -4.000 5.499 6.832 1.00 74.00 C ATOM 619 CE1 TYR A 40 -6.318 6.938 6.453 1.00 15.33 C ATOM 620 CE2 TYR A 40 -4.421 6.391 7.799 1.00 1.43 C ATOM 621 CZ TYR A 40 -5.583 7.105 7.605 1.00 62.51 C ATOM 622 OH TYR A 40 -6.015 7.984 8.569 1.00 71.01 O ATOM 0 H TYR A 40 -3.779 1.840 5.938 1.00 41.34 H new ATOM 0 HA TYR A 40 -6.082 3.179 4.673 1.00 23.51 H new ATOM 0 HB2 TYR A 40 -3.204 4.155 4.726 1.00 14.45 H new ATOM 0 HB3 TYR A 40 -4.426 4.764 3.627 1.00 14.45 H new ATOM 0 HD1 TYR A 40 -6.467 5.922 4.587 1.00 23.31 H new ATOM 0 HD2 TYR A 40 -3.092 4.935 6.988 1.00 74.00 H new ATOM 0 HE1 TYR A 40 -7.228 7.501 6.304 1.00 15.33 H new ATOM 0 HE2 TYR A 40 -3.843 6.528 8.701 1.00 1.43 H new ATOM 0 HH TYR A 40 -5.384 7.983 9.319 1.00 71.01 H new ATOM 632 N ALA A 41 -5.656 1.624 2.809 1.00 4.54 N ATOM 633 CA ALA A 41 -5.444 0.788 1.641 1.00 14.42 C ATOM 634 C ALA A 41 -5.595 1.604 0.362 1.00 71.22 C ATOM 635 O ALA A 41 -6.709 1.814 -0.128 1.00 43.22 O ATOM 636 CB ALA A 41 -6.411 -0.385 1.643 1.00 32.02 C ATOM 0 H ALA A 41 -6.637 1.781 3.042 1.00 4.54 H new ATOM 0 HA ALA A 41 -4.427 0.396 1.679 1.00 14.42 H new ATOM 0 HB1 ALA A 41 -6.238 -1.001 0.760 1.00 32.02 H new ATOM 0 HB2 ALA A 41 -6.254 -0.984 2.540 1.00 32.02 H new ATOM 0 HB3 ALA A 41 -7.435 -0.012 1.630 1.00 32.02 H new ATOM 642 N ILE A 42 -4.473 2.073 -0.164 1.00 13.51 N ATOM 643 CA ILE A 42 -4.485 2.916 -1.350 1.00 14.32 C ATOM 644 C ILE A 42 -3.658 2.300 -2.475 1.00 40.02 C ATOM 645 O ILE A 42 -2.912 1.342 -2.262 1.00 63.14 O ATOM 646 CB ILE A 42 -3.961 4.339 -1.048 1.00 13.23 C ATOM 647 CG1 ILE A 42 -2.521 4.295 -0.527 1.00 42.45 C ATOM 648 CG2 ILE A 42 -4.869 5.034 -0.043 1.00 43.52 C ATOM 649 CD1 ILE A 42 -1.921 5.667 -0.289 1.00 22.10 C ATOM 0 H ILE A 42 -3.544 1.884 0.211 1.00 13.51 H new ATOM 0 HA ILE A 42 -5.525 2.989 -1.669 1.00 14.32 H new ATOM 0 HB ILE A 42 -3.966 4.908 -1.978 1.00 13.23 H new ATOM 0 HG12 ILE A 42 -2.498 3.730 0.405 1.00 42.45 H new ATOM 0 HG13 ILE A 42 -1.901 3.755 -1.242 1.00 42.45 H new ATOM 0 HG21 ILE A 42 -4.488 6.035 0.160 1.00 43.52 H new ATOM 0 HG22 ILE A 42 -5.877 5.106 -0.452 1.00 43.52 H new ATOM 0 HG23 ILE A 42 -4.893 4.460 0.883 1.00 43.52 H new ATOM 0 HD11 ILE A 42 -0.901 5.559 0.079 1.00 22.10 H new ATOM 0 HD12 ILE A 42 -1.912 6.227 -1.224 1.00 22.10 H new ATOM 0 HD13 ILE A 42 -2.518 6.202 0.449 1.00 22.10 H new ATOM 661 N SER A 43 -3.789 2.857 -3.671 1.00 25.00 N ATOM 662 CA SER A 43 -3.089 2.354 -4.851 1.00 34.04 C ATOM 663 C SER A 43 -1.628 2.813 -4.872 1.00 60.12 C ATOM 664 O SER A 43 -1.126 3.276 -5.896 1.00 73.22 O ATOM 665 CB SER A 43 -3.804 2.854 -6.104 1.00 61.51 C ATOM 666 OG SER A 43 -5.207 2.703 -5.979 1.00 32.52 O ATOM 0 H SER A 43 -4.381 3.668 -3.853 1.00 25.00 H new ATOM 0 HA SER A 43 -3.096 1.264 -4.821 1.00 34.04 H new ATOM 0 HB2 SER A 43 -3.561 3.903 -6.272 1.00 61.51 H new ATOM 0 HB3 SER A 43 -3.451 2.301 -6.974 1.00 61.51 H new ATOM 0 HG SER A 43 -5.645 3.031 -6.792 1.00 32.52 H new ATOM 672 N ASN A 44 -0.934 2.637 -3.757 1.00 42.42 N ATOM 673 CA ASN A 44 0.427 3.155 -3.614 1.00 33.42 C ATOM 674 C ASN A 44 1.444 2.049 -3.883 1.00 2.43 C ATOM 675 O ASN A 44 2.414 1.876 -3.143 1.00 20.34 O ATOM 676 CB ASN A 44 0.634 3.726 -2.209 1.00 23.23 C ATOM 677 CG ASN A 44 1.787 4.714 -2.147 1.00 72.15 C ATOM 678 OD1 ASN A 44 2.052 5.433 -3.107 1.00 11.14 O ATOM 679 ND2 ASN A 44 2.485 4.744 -1.024 1.00 51.42 N ATOM 0 H ASN A 44 -1.286 2.141 -2.938 1.00 42.42 H new ATOM 0 HA ASN A 44 0.572 3.953 -4.342 1.00 33.42 H new ATOM 0 HB2 ASN A 44 -0.281 4.220 -1.882 1.00 23.23 H new ATOM 0 HB3 ASN A 44 0.822 2.909 -1.512 1.00 23.23 H new ATOM 0 HD21 ASN A 44 3.276 5.381 -0.932 1.00 51.42 H new ATOM 0 HD22 ASN A 44 2.232 4.130 -0.250 1.00 51.42 H new ATOM 686 N ILE A 45 1.218 1.315 -4.963 1.00 10.14 N ATOM 687 CA ILE A 45 2.038 0.154 -5.296 1.00 71.43 C ATOM 688 C ILE A 45 3.297 0.568 -6.030 1.00 52.42 C ATOM 689 O ILE A 45 4.302 -0.149 -6.005 1.00 34.21 O ATOM 690 CB ILE A 45 1.251 -0.847 -6.175 1.00 5.31 C ATOM 691 CG1 ILE A 45 -0.192 -0.988 -5.678 1.00 70.13 C ATOM 692 CG2 ILE A 45 1.934 -2.206 -6.192 1.00 43.21 C ATOM 693 CD1 ILE A 45 -0.304 -1.472 -4.249 1.00 45.11 C ATOM 0 H ILE A 45 0.469 1.503 -5.629 1.00 10.14 H new ATOM 0 HA ILE A 45 2.311 -0.326 -4.356 1.00 71.43 H new ATOM 0 HB ILE A 45 1.232 -0.456 -7.192 1.00 5.31 H new ATOM 0 HG12 ILE A 45 -0.692 -0.023 -5.765 1.00 70.13 H new ATOM 0 HG13 ILE A 45 -0.724 -1.682 -6.329 1.00 70.13 H new ATOM 0 HG21 ILE A 45 1.362 -2.893 -6.816 1.00 43.21 H new ATOM 0 HG22 ILE A 45 2.941 -2.102 -6.595 1.00 43.21 H new ATOM 0 HG23 ILE A 45 1.988 -2.599 -5.177 1.00 43.21 H new ATOM 0 HD11 ILE A 45 -1.355 -1.546 -3.971 1.00 45.11 H new ATOM 0 HD12 ILE A 45 0.165 -2.452 -4.159 1.00 45.11 H new ATOM 0 HD13 ILE A 45 0.198 -0.767 -3.586 1.00 45.11 H new ATOM 705 N ASP A 46 3.225 1.732 -6.656 1.00 54.14 N ATOM 706 CA ASP A 46 4.330 2.280 -7.442 1.00 0.35 C ATOM 707 C ASP A 46 4.578 1.462 -8.716 1.00 71.24 C ATOM 708 O ASP A 46 4.828 0.255 -8.666 1.00 63.12 O ATOM 709 CB ASP A 46 5.604 2.366 -6.597 1.00 72.34 C ATOM 710 CG ASP A 46 6.828 2.634 -7.432 1.00 43.24 C ATOM 711 OD1 ASP A 46 7.089 3.811 -7.752 1.00 65.22 O ATOM 712 OD2 ASP A 46 7.521 1.659 -7.776 1.00 55.40 O ATOM 0 H ASP A 46 2.398 2.329 -6.636 1.00 54.14 H new ATOM 0 HA ASP A 46 4.048 3.287 -7.748 1.00 0.35 H new ATOM 0 HB2 ASP A 46 5.493 3.157 -5.856 1.00 72.34 H new ATOM 0 HB3 ASP A 46 5.738 1.433 -6.050 1.00 72.34 H new ATOM 717 N PRO A 47 4.520 2.121 -9.882 1.00 63.50 N ATOM 718 CA PRO A 47 4.674 1.466 -11.179 1.00 42.41 C ATOM 719 C PRO A 47 6.135 1.221 -11.553 1.00 1.35 C ATOM 720 O PRO A 47 6.455 0.988 -12.719 1.00 23.30 O ATOM 721 CB PRO A 47 4.033 2.455 -12.167 1.00 54.04 C ATOM 722 CG PRO A 47 3.563 3.624 -11.351 1.00 73.34 C ATOM 723 CD PRO A 47 4.291 3.557 -10.040 1.00 75.24 C ATOM 0 HA PRO A 47 4.213 0.478 -11.179 1.00 42.41 H new ATOM 0 HB2 PRO A 47 4.753 2.772 -12.921 1.00 54.04 H new ATOM 0 HB3 PRO A 47 3.201 1.991 -12.696 1.00 54.04 H new ATOM 0 HG2 PRO A 47 3.774 4.563 -11.863 1.00 73.34 H new ATOM 0 HG3 PRO A 47 2.485 3.580 -11.197 1.00 73.34 H new ATOM 0 HD2 PRO A 47 5.226 4.117 -10.065 1.00 75.24 H new ATOM 0 HD3 PRO A 47 3.696 3.966 -9.223 1.00 75.24 H new ATOM 731 N PHE A 48 7.015 1.253 -10.563 1.00 61.44 N ATOM 732 CA PHE A 48 8.431 1.011 -10.790 1.00 42.21 C ATOM 733 C PHE A 48 8.872 -0.315 -10.160 1.00 72.43 C ATOM 734 O PHE A 48 9.705 -1.028 -10.722 1.00 15.23 O ATOM 735 CB PHE A 48 9.253 2.180 -10.228 1.00 2.32 C ATOM 736 CG PHE A 48 10.739 1.984 -10.298 1.00 51.03 C ATOM 737 CD1 PHE A 48 11.412 2.111 -11.500 1.00 12.45 C ATOM 738 CD2 PHE A 48 11.464 1.683 -9.155 1.00 24.42 C ATOM 739 CE1 PHE A 48 12.781 1.938 -11.561 1.00 61.12 C ATOM 740 CE2 PHE A 48 12.832 1.509 -9.212 1.00 72.44 C ATOM 741 CZ PHE A 48 13.491 1.637 -10.418 1.00 44.01 C ATOM 0 H PHE A 48 6.771 1.445 -9.591 1.00 61.44 H new ATOM 0 HA PHE A 48 8.604 0.939 -11.864 1.00 42.21 H new ATOM 0 HB2 PHE A 48 8.992 3.087 -10.774 1.00 2.32 H new ATOM 0 HB3 PHE A 48 8.969 2.341 -9.188 1.00 2.32 H new ATOM 0 HD1 PHE A 48 10.862 2.348 -12.399 1.00 12.45 H new ATOM 0 HD2 PHE A 48 10.952 1.584 -8.209 1.00 24.42 H new ATOM 0 HE1 PHE A 48 13.296 2.039 -12.505 1.00 61.12 H new ATOM 0 HE2 PHE A 48 13.385 1.273 -8.315 1.00 72.44 H new ATOM 0 HZ PHE A 48 14.561 1.502 -10.466 1.00 44.01 H new ATOM 751 N ALA A 49 8.305 -0.655 -9.006 1.00 52.32 N ATOM 752 CA ALA A 49 8.714 -1.862 -8.294 1.00 63.13 C ATOM 753 C ALA A 49 7.544 -2.815 -8.059 1.00 43.41 C ATOM 754 O ALA A 49 7.749 -4.006 -7.824 1.00 72.55 O ATOM 755 CB ALA A 49 9.371 -1.491 -6.974 1.00 45.42 C ATOM 0 H ALA A 49 7.569 -0.118 -8.548 1.00 52.32 H new ATOM 0 HA ALA A 49 9.435 -2.386 -8.921 1.00 63.13 H new ATOM 0 HB1 ALA A 49 9.673 -2.398 -6.450 1.00 45.42 H new ATOM 0 HB2 ALA A 49 10.249 -0.874 -7.165 1.00 45.42 H new ATOM 0 HB3 ALA A 49 8.663 -0.935 -6.359 1.00 45.42 H new ATOM 761 N GLN A 50 6.323 -2.280 -8.112 1.00 14.11 N ATOM 762 CA GLN A 50 5.097 -3.074 -7.945 1.00 11.13 C ATOM 763 C GLN A 50 4.979 -3.678 -6.540 1.00 21.42 C ATOM 764 O GLN A 50 4.203 -4.611 -6.331 1.00 4.12 O ATOM 765 CB GLN A 50 5.009 -4.215 -8.978 1.00 51.34 C ATOM 766 CG GLN A 50 4.677 -3.788 -10.403 1.00 44.30 C ATOM 767 CD GLN A 50 5.810 -3.058 -11.091 1.00 74.13 C ATOM 768 OE1 GLN A 50 6.692 -3.676 -11.684 1.00 11.53 O ATOM 769 NE2 GLN A 50 5.780 -1.741 -11.049 1.00 2.32 N ATOM 0 H GLN A 50 6.153 -1.287 -8.271 1.00 14.11 H new ATOM 0 HA GLN A 50 4.274 -2.376 -8.101 1.00 11.13 H new ATOM 0 HB2 GLN A 50 5.961 -4.745 -8.989 1.00 51.34 H new ATOM 0 HB3 GLN A 50 4.252 -4.925 -8.645 1.00 51.34 H new ATOM 0 HG2 GLN A 50 4.415 -4.670 -10.987 1.00 44.30 H new ATOM 0 HG3 GLN A 50 3.797 -3.145 -10.386 1.00 44.30 H new ATOM 0 HE21 GLN A 50 5.032 -1.264 -10.547 1.00 2.32 H new ATOM 0 HE22 GLN A 50 6.505 -1.199 -11.519 1.00 2.32 H new ATOM 778 N ALA A 51 5.711 -3.135 -5.575 1.00 72.32 N ATOM 779 CA ALA A 51 5.731 -3.706 -4.227 1.00 41.22 C ATOM 780 C ALA A 51 5.375 -2.674 -3.169 1.00 33.30 C ATOM 781 O ALA A 51 5.718 -2.835 -1.998 1.00 43.34 O ATOM 782 CB ALA A 51 7.098 -4.310 -3.941 1.00 55.34 C ATOM 0 H ALA A 51 6.295 -2.307 -5.695 1.00 72.32 H new ATOM 0 HA ALA A 51 4.973 -4.488 -4.184 1.00 41.22 H new ATOM 0 HB1 ALA A 51 7.106 -4.733 -2.936 1.00 55.34 H new ATOM 0 HB2 ALA A 51 7.308 -5.095 -4.667 1.00 55.34 H new ATOM 0 HB3 ALA A 51 7.861 -3.535 -4.014 1.00 55.34 H new ATOM 788 N SER A 52 4.667 -1.626 -3.586 1.00 1.14 N ATOM 789 CA SER A 52 4.227 -0.574 -2.674 1.00 14.12 C ATOM 790 C SER A 52 5.417 0.073 -1.982 1.00 11.02 C ATOM 791 O SER A 52 5.356 0.429 -0.806 1.00 34.53 O ATOM 792 CB SER A 52 3.266 -1.148 -1.640 1.00 43.23 C ATOM 793 OG SER A 52 2.170 -1.767 -2.279 1.00 62.32 O ATOM 0 H SER A 52 4.385 -1.483 -4.556 1.00 1.14 H new ATOM 0 HA SER A 52 3.711 0.191 -3.254 1.00 14.12 H new ATOM 0 HB2 SER A 52 3.786 -1.872 -1.013 1.00 43.23 H new ATOM 0 HB3 SER A 52 2.911 -0.354 -0.983 1.00 43.23 H new ATOM 0 HG SER A 52 1.467 -1.947 -1.621 1.00 62.32 H new ATOM 799 N VAL A 53 6.481 0.264 -2.742 1.00 55.21 N ATOM 800 CA VAL A 53 7.732 0.778 -2.189 1.00 15.33 C ATOM 801 C VAL A 53 7.582 2.226 -1.733 1.00 53.15 C ATOM 802 O VAL A 53 8.371 2.724 -0.930 1.00 41.53 O ATOM 803 CB VAL A 53 8.896 0.664 -3.194 1.00 14.25 C ATOM 804 CG1 VAL A 53 9.238 -0.796 -3.451 1.00 74.53 C ATOM 805 CG2 VAL A 53 8.562 1.378 -4.494 1.00 3.21 C ATOM 0 H VAL A 53 6.509 0.073 -3.743 1.00 55.21 H new ATOM 0 HA VAL A 53 7.968 0.159 -1.324 1.00 15.33 H new ATOM 0 HB VAL A 53 9.770 1.149 -2.760 1.00 14.25 H new ATOM 0 HG11 VAL A 53 10.061 -0.857 -4.163 1.00 74.53 H new ATOM 0 HG12 VAL A 53 9.531 -1.271 -2.515 1.00 74.53 H new ATOM 0 HG13 VAL A 53 8.367 -1.307 -3.860 1.00 74.53 H new ATOM 0 HG21 VAL A 53 9.398 1.283 -5.186 1.00 3.21 H new ATOM 0 HG22 VAL A 53 7.672 0.931 -4.937 1.00 3.21 H new ATOM 0 HG23 VAL A 53 8.376 2.433 -4.292 1.00 3.21 H new ATOM 815 N LEU A 54 6.553 2.895 -2.233 1.00 74.21 N ATOM 816 CA LEU A 54 6.271 4.266 -1.839 1.00 23.30 C ATOM 817 C LEU A 54 5.661 4.295 -0.443 1.00 74.40 C ATOM 818 O LEU A 54 5.662 5.326 0.226 1.00 31.05 O ATOM 819 CB LEU A 54 5.321 4.929 -2.838 1.00 71.33 C ATOM 820 CG LEU A 54 5.785 4.920 -4.296 1.00 54.05 C ATOM 821 CD1 LEU A 54 4.806 5.694 -5.165 1.00 24.23 C ATOM 822 CD2 LEU A 54 7.184 5.500 -4.419 1.00 13.14 C ATOM 0 H LEU A 54 5.899 2.509 -2.914 1.00 74.21 H new ATOM 0 HA LEU A 54 7.209 4.822 -1.830 1.00 23.30 H new ATOM 0 HB2 LEU A 54 4.354 4.429 -2.780 1.00 71.33 H new ATOM 0 HB3 LEU A 54 5.164 5.963 -2.532 1.00 71.33 H new ATOM 0 HG LEU A 54 5.815 3.887 -4.642 1.00 54.05 H new ATOM 0 HD11 LEU A 54 5.148 5.680 -6.200 1.00 24.23 H new ATOM 0 HD12 LEU A 54 3.820 5.233 -5.102 1.00 24.23 H new ATOM 0 HD13 LEU A 54 4.747 6.725 -4.817 1.00 24.23 H new ATOM 0 HD21 LEU A 54 7.494 5.484 -5.464 1.00 13.14 H new ATOM 0 HD22 LEU A 54 7.185 6.528 -4.056 1.00 13.14 H new ATOM 0 HD23 LEU A 54 7.878 4.905 -3.825 1.00 13.14 H new ATOM 834 N SER A 55 5.158 3.150 -0.003 1.00 3.51 N ATOM 835 CA SER A 55 4.525 3.035 1.303 1.00 53.12 C ATOM 836 C SER A 55 5.565 2.741 2.377 1.00 41.03 C ATOM 837 O SER A 55 5.239 2.584 3.553 1.00 41.24 O ATOM 838 CB SER A 55 3.471 1.932 1.269 1.00 72.14 C ATOM 839 OG SER A 55 2.549 2.155 0.215 1.00 52.33 O ATOM 0 H SER A 55 5.177 2.281 -0.537 1.00 3.51 H new ATOM 0 HA SER A 55 4.042 3.982 1.546 1.00 53.12 H new ATOM 0 HB2 SER A 55 3.954 0.964 1.138 1.00 72.14 H new ATOM 0 HB3 SER A 55 2.942 1.898 2.221 1.00 72.14 H new ATOM 0 HG SER A 55 2.968 1.925 -0.640 1.00 52.33 H new ATOM 845 N ARG A 56 6.821 2.670 1.955 1.00 61.02 N ATOM 846 CA ARG A 56 7.927 2.464 2.875 1.00 43.14 C ATOM 847 C ARG A 56 8.629 3.796 3.111 1.00 41.12 C ATOM 848 O ARG A 56 9.720 3.855 3.681 1.00 24.41 O ATOM 849 CB ARG A 56 8.908 1.444 2.292 1.00 0.33 C ATOM 850 CG ARG A 56 9.792 0.774 3.330 1.00 32.35 C ATOM 851 CD ARG A 56 10.789 -0.166 2.676 1.00 43.33 C ATOM 852 NE ARG A 56 11.409 -1.072 3.642 1.00 1.33 N ATOM 853 CZ ARG A 56 12.340 -1.968 3.325 1.00 31.13 C ATOM 854 NH1 ARG A 56 12.846 -2.004 2.097 1.00 50.04 N ATOM 855 NH2 ARG A 56 12.776 -2.817 4.246 1.00 53.30 N ATOM 0 H ARG A 56 7.098 2.753 0.977 1.00 61.02 H new ATOM 0 HA ARG A 56 7.551 2.079 3.823 1.00 43.14 H new ATOM 0 HB2 ARG A 56 8.345 0.677 1.760 1.00 0.33 H new ATOM 0 HB3 ARG A 56 9.541 1.942 1.558 1.00 0.33 H new ATOM 0 HG2 ARG A 56 10.325 1.533 3.902 1.00 32.35 H new ATOM 0 HG3 ARG A 56 9.173 0.219 4.035 1.00 32.35 H new ATOM 0 HD2 ARG A 56 10.285 -0.749 1.905 1.00 43.33 H new ATOM 0 HD3 ARG A 56 11.564 0.418 2.178 1.00 43.33 H new ATOM 0 HE ARG A 56 11.110 -1.014 4.616 1.00 1.33 H new ATOM 0 HH11 ARG A 56 12.521 -1.343 1.392 1.00 50.04 H new ATOM 0 HH12 ARG A 56 13.560 -2.693 1.859 1.00 50.04 H new ATOM 0 HH21 ARG A 56 12.398 -2.781 5.193 1.00 53.30 H new ATOM 0 HH22 ARG A 56 13.490 -3.506 4.008 1.00 53.30 H new ATOM 869 N GLY A 57 7.983 4.866 2.664 1.00 52.02 N ATOM 870 CA GLY A 57 8.560 6.188 2.770 1.00 71.50 C ATOM 871 C GLY A 57 8.318 6.828 4.121 1.00 70.14 C ATOM 872 O GLY A 57 8.170 6.139 5.131 1.00 32.41 O ATOM 0 H GLY A 57 7.062 4.838 2.227 1.00 52.02 H new ATOM 0 HA2 GLY A 57 9.633 6.126 2.589 1.00 71.50 H new ATOM 0 HA3 GLY A 57 8.142 6.825 1.991 1.00 71.50 H new ATOM 876 N ILE A 58 8.261 8.149 4.136 1.00 24.11 N ATOM 877 CA ILE A 58 8.132 8.895 5.376 1.00 54.22 C ATOM 878 C ILE A 58 6.681 9.272 5.634 1.00 21.53 C ATOM 879 O ILE A 58 5.997 9.805 4.759 1.00 40.54 O ATOM 880 CB ILE A 58 9.001 10.183 5.365 1.00 63.44 C ATOM 881 CG1 ILE A 58 10.499 9.851 5.303 1.00 63.14 C ATOM 882 CG2 ILE A 58 8.707 11.051 6.581 1.00 34.31 C ATOM 883 CD1 ILE A 58 10.992 9.452 3.927 1.00 30.33 C ATOM 0 H ILE A 58 8.302 8.730 3.298 1.00 24.11 H new ATOM 0 HA ILE A 58 8.486 8.244 6.175 1.00 54.22 H new ATOM 0 HB ILE A 58 8.739 10.741 4.466 1.00 63.44 H new ATOM 0 HG12 ILE A 58 11.066 10.718 5.642 1.00 63.14 H new ATOM 0 HG13 ILE A 58 10.709 9.040 6.001 1.00 63.14 H new ATOM 0 HG21 ILE A 58 9.329 11.946 6.548 1.00 34.31 H new ATOM 0 HG22 ILE A 58 7.656 11.339 6.577 1.00 34.31 H new ATOM 0 HG23 ILE A 58 8.926 10.490 7.490 1.00 34.31 H new ATOM 0 HD11 ILE A 58 12.059 9.235 3.972 1.00 30.33 H new ATOM 0 HD12 ILE A 58 10.455 8.565 3.591 1.00 30.33 H new ATOM 0 HD13 ILE A 58 10.817 10.269 3.227 1.00 30.33 H new ATOM 895 N VAL A 59 6.220 8.979 6.834 1.00 2.34 N ATOM 896 CA VAL A 59 4.905 9.392 7.266 1.00 71.03 C ATOM 897 C VAL A 59 4.951 10.864 7.648 1.00 3.52 C ATOM 898 O VAL A 59 5.411 11.225 8.733 1.00 31.42 O ATOM 899 CB VAL A 59 4.421 8.551 8.464 1.00 72.33 C ATOM 900 CG1 VAL A 59 3.061 9.026 8.953 1.00 23.11 C ATOM 901 CG2 VAL A 59 4.370 7.076 8.092 1.00 21.41 C ATOM 0 H VAL A 59 6.745 8.451 7.531 1.00 2.34 H new ATOM 0 HA VAL A 59 4.202 9.239 6.448 1.00 71.03 H new ATOM 0 HB VAL A 59 5.134 8.680 9.278 1.00 72.33 H new ATOM 0 HG11 VAL A 59 2.745 8.415 9.798 1.00 23.11 H new ATOM 0 HG12 VAL A 59 3.130 10.068 9.264 1.00 23.11 H new ATOM 0 HG13 VAL A 59 2.333 8.936 8.147 1.00 23.11 H new ATOM 0 HG21 VAL A 59 4.026 6.496 8.949 1.00 21.41 H new ATOM 0 HG22 VAL A 59 3.682 6.935 7.259 1.00 21.41 H new ATOM 0 HG23 VAL A 59 5.365 6.739 7.802 1.00 21.41 H new ATOM 911 N ALA A 60 4.516 11.710 6.733 1.00 0.23 N ATOM 912 CA ALA A 60 4.586 13.147 6.926 1.00 75.02 C ATOM 913 C ALA A 60 3.229 13.706 7.329 1.00 52.32 C ATOM 914 O ALA A 60 2.360 13.938 6.489 1.00 21.45 O ATOM 915 CB ALA A 60 5.094 13.834 5.666 1.00 1.02 C ATOM 0 H ALA A 60 4.108 11.425 5.843 1.00 0.23 H new ATOM 0 HA ALA A 60 5.290 13.346 7.734 1.00 75.02 H new ATOM 0 HB1 ALA A 60 5.139 14.910 5.831 1.00 1.02 H new ATOM 0 HB2 ALA A 60 6.090 13.462 5.425 1.00 1.02 H new ATOM 0 HB3 ALA A 60 4.417 13.622 4.838 1.00 1.02 H new ATOM 921 N GLU A 61 3.050 13.902 8.621 1.00 41.12 N ATOM 922 CA GLU A 61 1.830 14.485 9.142 1.00 74.12 C ATOM 923 C GLU A 61 1.925 16.000 9.079 1.00 42.12 C ATOM 924 O GLU A 61 2.719 16.615 9.790 1.00 60.24 O ATOM 925 CB GLU A 61 1.597 14.023 10.583 1.00 20.12 C ATOM 926 CG GLU A 61 0.420 14.698 11.269 1.00 60.41 C ATOM 927 CD GLU A 61 0.275 14.268 12.711 1.00 61.44 C ATOM 928 OE1 GLU A 61 1.275 14.338 13.461 1.00 21.25 O ATOM 929 OE2 GLU A 61 -0.842 13.869 13.108 1.00 14.54 O ATOM 0 H GLU A 61 3.740 13.664 9.333 1.00 41.12 H new ATOM 0 HA GLU A 61 0.986 14.156 8.536 1.00 74.12 H new ATOM 0 HB2 GLU A 61 1.436 12.945 10.586 1.00 20.12 H new ATOM 0 HB3 GLU A 61 2.500 14.212 11.164 1.00 20.12 H new ATOM 0 HG2 GLU A 61 0.548 15.780 11.225 1.00 60.41 H new ATOM 0 HG3 GLU A 61 -0.497 14.464 10.728 1.00 60.41 H new ATOM 936 N HIS A 62 1.132 16.595 8.206 1.00 31.44 N ATOM 937 CA HIS A 62 1.124 18.038 8.057 1.00 31.34 C ATOM 938 C HIS A 62 0.097 18.642 9.005 1.00 2.22 C ATOM 939 O HIS A 62 -1.085 18.744 8.666 1.00 52.34 O ATOM 940 CB HIS A 62 0.821 18.429 6.605 1.00 1.13 C ATOM 941 CG HIS A 62 0.960 19.898 6.329 1.00 61.12 C ATOM 942 ND1 HIS A 62 2.132 20.430 5.840 1.00 53.42 N ATOM 943 CD2 HIS A 62 0.056 20.895 6.486 1.00 52.32 C ATOM 944 CE1 HIS A 62 1.912 21.729 5.712 1.00 11.14 C ATOM 945 NE2 HIS A 62 0.670 22.054 6.091 1.00 33.25 N ATOM 0 H HIS A 62 0.486 16.101 7.590 1.00 31.44 H new ATOM 0 HA HIS A 62 2.110 18.428 8.309 1.00 31.34 H new ATOM 0 HB2 HIS A 62 1.491 17.880 5.944 1.00 1.13 H new ATOM 0 HB3 HIS A 62 -0.194 18.118 6.359 1.00 1.13 H new ATOM 0 HD2 HIS A 62 -0.955 20.795 6.852 1.00 52.32 H new ATOM 0 HE1 HIS A 62 2.642 22.437 5.348 1.00 11.14 H new ATOM 0 HE2 HIS A 62 0.259 22.987 6.087 1.00 33.25 H new ATOM 953 N GLN A 63 0.560 19.008 10.205 1.00 13.33 N ATOM 954 CA GLN A 63 -0.291 19.576 11.252 1.00 5.33 C ATOM 955 C GLN A 63 -1.300 18.547 11.761 1.00 21.14 C ATOM 956 O GLN A 63 -1.144 17.988 12.848 1.00 73.24 O ATOM 957 CB GLN A 63 -1.018 20.830 10.750 1.00 13.41 C ATOM 958 CG GLN A 63 -0.096 22.004 10.461 1.00 44.41 C ATOM 959 CD GLN A 63 -0.817 23.146 9.776 1.00 1.20 C ATOM 960 OE1 GLN A 63 -2.020 23.339 9.961 1.00 63.11 O ATOM 961 NE2 GLN A 63 -0.091 23.912 8.979 1.00 24.32 N ATOM 0 H GLN A 63 1.539 18.918 10.477 1.00 13.33 H new ATOM 0 HA GLN A 63 0.356 19.861 12.082 1.00 5.33 H new ATOM 0 HB2 GLN A 63 -1.567 20.580 9.842 1.00 13.41 H new ATOM 0 HB3 GLN A 63 -1.754 21.134 11.495 1.00 13.41 H new ATOM 0 HG2 GLN A 63 0.339 22.360 11.395 1.00 44.41 H new ATOM 0 HG3 GLN A 63 0.729 21.669 9.832 1.00 44.41 H new ATOM 0 HE21 GLN A 63 0.903 23.719 8.852 1.00 24.32 H new ATOM 0 HE22 GLN A 63 -0.525 24.696 8.491 1.00 24.32 H new ATOM 970 N ASP A 64 -2.318 18.292 10.957 1.00 50.13 N ATOM 971 CA ASP A 64 -3.379 17.359 11.314 1.00 65.21 C ATOM 972 C ASP A 64 -3.559 16.320 10.212 1.00 2.35 C ATOM 973 O ASP A 64 -4.010 15.203 10.460 1.00 65.24 O ATOM 974 CB ASP A 64 -4.689 18.125 11.528 1.00 4.32 C ATOM 975 CG ASP A 64 -5.810 17.262 12.077 1.00 41.01 C ATOM 976 OD1 ASP A 64 -6.532 16.634 11.276 1.00 12.41 O ATOM 977 OD2 ASP A 64 -5.998 17.244 13.313 1.00 21.13 O ATOM 0 H ASP A 64 -2.435 18.723 10.040 1.00 50.13 H new ATOM 0 HA ASP A 64 -3.106 16.847 12.237 1.00 65.21 H new ATOM 0 HB2 ASP A 64 -4.509 18.953 12.214 1.00 4.32 H new ATOM 0 HB3 ASP A 64 -5.006 18.559 10.580 1.00 4.32 H new ATOM 982 N ASP A 65 -3.170 16.692 8.999 1.00 22.13 N ATOM 983 CA ASP A 65 -3.396 15.854 7.829 1.00 3.22 C ATOM 984 C ASP A 65 -2.324 14.771 7.730 1.00 3.42 C ATOM 985 O ASP A 65 -1.280 14.861 8.378 1.00 5.41 O ATOM 986 CB ASP A 65 -3.385 16.716 6.567 1.00 4.14 C ATOM 987 CG ASP A 65 -4.318 16.198 5.491 1.00 51.41 C ATOM 988 OD1 ASP A 65 -4.293 14.986 5.206 1.00 33.33 O ATOM 989 OD2 ASP A 65 -5.088 17.015 4.932 1.00 73.21 O ATOM 0 H ASP A 65 -2.695 17.572 8.800 1.00 22.13 H new ATOM 0 HA ASP A 65 -4.368 15.370 7.927 1.00 3.22 H new ATOM 0 HB2 ASP A 65 -3.669 17.736 6.827 1.00 4.14 H new ATOM 0 HB3 ASP A 65 -2.370 16.759 6.171 1.00 4.14 H new ATOM 994 N LEU A 66 -2.567 13.768 6.901 1.00 1.20 N ATOM 995 CA LEU A 66 -1.663 12.632 6.796 1.00 3.14 C ATOM 996 C LEU A 66 -1.191 12.437 5.361 1.00 32.25 C ATOM 997 O LEU A 66 -1.956 12.014 4.487 1.00 20.35 O ATOM 998 CB LEU A 66 -2.337 11.354 7.302 1.00 12.10 C ATOM 999 CG LEU A 66 -2.639 11.322 8.801 1.00 32.40 C ATOM 1000 CD1 LEU A 66 -3.334 10.023 9.176 1.00 63.14 C ATOM 1001 CD2 LEU A 66 -1.359 11.488 9.604 1.00 11.04 C ATOM 0 H LEU A 66 -3.383 13.717 6.291 1.00 1.20 H new ATOM 0 HA LEU A 66 -0.794 12.843 7.420 1.00 3.14 H new ATOM 0 HB2 LEU A 66 -3.271 11.216 6.757 1.00 12.10 H new ATOM 0 HB3 LEU A 66 -1.698 10.505 7.059 1.00 12.10 H new ATOM 0 HG LEU A 66 -3.306 12.152 9.036 1.00 32.40 H new ATOM 0 HD11 LEU A 66 -3.541 10.017 10.246 1.00 63.14 H new ATOM 0 HD12 LEU A 66 -4.270 9.939 8.624 1.00 63.14 H new ATOM 0 HD13 LEU A 66 -2.689 9.180 8.927 1.00 63.14 H new ATOM 0 HD21 LEU A 66 -1.592 11.463 10.669 1.00 11.04 H new ATOM 0 HD22 LEU A 66 -0.671 10.677 9.364 1.00 11.04 H new ATOM 0 HD23 LEU A 66 -0.895 12.443 9.356 1.00 11.04 H new ATOM 1013 N TRP A 67 0.074 12.744 5.126 1.00 61.14 N ATOM 1014 CA TRP A 67 0.667 12.616 3.805 1.00 34.30 C ATOM 1015 C TRP A 67 1.797 11.594 3.841 1.00 22.12 C ATOM 1016 O TRP A 67 2.515 11.485 4.836 1.00 2.15 O ATOM 1017 CB TRP A 67 1.231 13.964 3.338 1.00 33.21 C ATOM 1018 CG TRP A 67 0.248 15.099 3.372 1.00 74.40 C ATOM 1019 CD1 TRP A 67 -0.202 15.763 4.478 1.00 14.42 C ATOM 1020 CD2 TRP A 67 -0.384 15.722 2.248 1.00 34.35 C ATOM 1021 NE1 TRP A 67 -1.081 16.751 4.112 1.00 14.22 N ATOM 1022 CE2 TRP A 67 -1.208 16.747 2.749 1.00 42.21 C ATOM 1023 CE3 TRP A 67 -0.335 15.513 0.868 1.00 41.21 C ATOM 1024 CZ2 TRP A 67 -1.978 17.558 1.918 1.00 61.02 C ATOM 1025 CZ3 TRP A 67 -1.099 16.318 0.044 1.00 3.31 C ATOM 1026 CH2 TRP A 67 -1.908 17.330 0.571 1.00 64.14 C ATOM 0 H TRP A 67 0.716 13.087 5.841 1.00 61.14 H new ATOM 0 HA TRP A 67 -0.108 12.289 3.111 1.00 34.30 H new ATOM 0 HB2 TRP A 67 2.085 14.222 3.964 1.00 33.21 H new ATOM 0 HB3 TRP A 67 1.604 13.854 2.320 1.00 33.21 H new ATOM 0 HD1 TRP A 67 0.092 15.542 5.494 1.00 14.42 H new ATOM 0 HE1 TRP A 67 -1.561 17.385 4.751 1.00 14.22 H new ATOM 0 HE3 TRP A 67 0.289 14.736 0.452 1.00 41.21 H new ATOM 0 HZ2 TRP A 67 -2.607 18.338 2.322 1.00 61.02 H new ATOM 0 HZ3 TRP A 67 -1.071 16.163 -1.024 1.00 3.31 H new ATOM 0 HH2 TRP A 67 -2.490 17.945 -0.100 1.00 64.14 H new ATOM 1037 N VAL A 68 1.957 10.838 2.772 1.00 71.12 N ATOM 1038 CA VAL A 68 3.094 9.946 2.661 1.00 30.14 C ATOM 1039 C VAL A 68 4.143 10.559 1.740 1.00 4.11 C ATOM 1040 O VAL A 68 3.845 10.963 0.612 1.00 44.24 O ATOM 1041 CB VAL A 68 2.697 8.528 2.173 1.00 31.42 C ATOM 1042 CG1 VAL A 68 2.006 8.571 0.819 1.00 73.30 C ATOM 1043 CG2 VAL A 68 3.917 7.622 2.125 1.00 72.33 C ATOM 0 H VAL A 68 1.321 10.823 1.975 1.00 71.12 H new ATOM 0 HA VAL A 68 3.512 9.823 3.660 1.00 30.14 H new ATOM 0 HB VAL A 68 1.984 8.119 2.890 1.00 31.42 H new ATOM 0 HG11 VAL A 68 1.744 7.559 0.512 1.00 73.30 H new ATOM 0 HG12 VAL A 68 1.101 9.174 0.891 1.00 73.30 H new ATOM 0 HG13 VAL A 68 2.677 9.011 0.082 1.00 73.30 H new ATOM 0 HG21 VAL A 68 3.621 6.631 1.781 1.00 72.33 H new ATOM 0 HG22 VAL A 68 4.654 8.040 1.439 1.00 72.33 H new ATOM 0 HG23 VAL A 68 4.352 7.545 3.121 1.00 72.33 H new ATOM 1053 N ALA A 69 5.360 10.676 2.245 1.00 53.44 N ATOM 1054 CA ALA A 69 6.459 11.216 1.467 1.00 32.44 C ATOM 1055 C ALA A 69 7.083 10.116 0.624 1.00 71.11 C ATOM 1056 O ALA A 69 7.720 9.203 1.154 1.00 10.32 O ATOM 1057 CB ALA A 69 7.498 11.853 2.378 1.00 63.32 C ATOM 0 H ALA A 69 5.611 10.402 3.195 1.00 53.44 H new ATOM 0 HA ALA A 69 6.075 11.991 0.803 1.00 32.44 H new ATOM 0 HB1 ALA A 69 8.314 12.252 1.776 1.00 63.32 H new ATOM 0 HB2 ALA A 69 7.037 12.661 2.946 1.00 63.32 H new ATOM 0 HB3 ALA A 69 7.888 11.103 3.066 1.00 63.32 H new ATOM 1063 N SER A 70 6.870 10.199 -0.681 1.00 3.33 N ATOM 1064 CA SER A 70 7.388 9.211 -1.611 1.00 51.23 C ATOM 1065 C SER A 70 8.911 9.162 -1.558 1.00 33.12 C ATOM 1066 O SER A 70 9.577 10.174 -1.772 1.00 2.10 O ATOM 1067 CB SER A 70 6.920 9.543 -3.029 1.00 4.21 C ATOM 1068 OG SER A 70 7.425 8.612 -3.972 1.00 75.13 O ATOM 0 H SER A 70 6.337 10.949 -1.121 1.00 3.33 H new ATOM 0 HA SER A 70 7.007 8.231 -1.326 1.00 51.23 H new ATOM 0 HB2 SER A 70 5.831 9.543 -3.063 1.00 4.21 H new ATOM 0 HB3 SER A 70 7.248 10.548 -3.296 1.00 4.21 H new ATOM 0 HG SER A 70 6.694 8.294 -4.541 1.00 75.13 H new ATOM 1074 N PRO A 71 9.484 7.983 -1.272 1.00 40.04 N ATOM 1075 CA PRO A 71 10.937 7.808 -1.219 1.00 65.21 C ATOM 1076 C PRO A 71 11.569 7.816 -2.610 1.00 30.42 C ATOM 1077 O PRO A 71 12.792 7.834 -2.749 1.00 63.13 O ATOM 1078 CB PRO A 71 11.102 6.436 -0.562 1.00 1.05 C ATOM 1079 CG PRO A 71 9.857 5.700 -0.916 1.00 51.24 C ATOM 1080 CD PRO A 71 8.765 6.735 -0.950 1.00 63.31 C ATOM 0 HA PRO A 71 11.430 8.616 -0.678 1.00 65.21 H new ATOM 0 HB2 PRO A 71 11.987 5.921 -0.936 1.00 1.05 H new ATOM 0 HB3 PRO A 71 11.217 6.525 0.518 1.00 1.05 H new ATOM 0 HG2 PRO A 71 9.957 5.205 -1.882 1.00 51.24 H new ATOM 0 HG3 PRO A 71 9.639 4.925 -0.181 1.00 51.24 H new ATOM 0 HD2 PRO A 71 8.012 6.500 -1.702 1.00 63.31 H new ATOM 0 HD3 PRO A 71 8.248 6.805 0.007 1.00 63.31 H new ATOM 1088 N LEU A 72 10.729 7.797 -3.639 1.00 24.02 N ATOM 1089 CA LEU A 72 11.213 7.789 -5.012 1.00 24.13 C ATOM 1090 C LEU A 72 10.854 9.084 -5.731 1.00 61.14 C ATOM 1091 O LEU A 72 11.706 9.715 -6.353 1.00 74.21 O ATOM 1092 CB LEU A 72 10.640 6.595 -5.780 1.00 42.23 C ATOM 1093 CG LEU A 72 11.086 5.219 -5.279 1.00 74.42 C ATOM 1094 CD1 LEU A 72 10.455 4.117 -6.113 1.00 71.32 C ATOM 1095 CD2 LEU A 72 12.601 5.102 -5.315 1.00 62.41 C ATOM 0 H LEU A 72 9.713 7.787 -3.548 1.00 24.02 H new ATOM 0 HA LEU A 72 12.299 7.702 -4.977 1.00 24.13 H new ATOM 0 HB2 LEU A 72 9.552 6.644 -5.736 1.00 42.23 H new ATOM 0 HB3 LEU A 72 10.921 6.690 -6.829 1.00 42.23 H new ATOM 0 HG LEU A 72 10.753 5.108 -4.247 1.00 74.42 H new ATOM 0 HD11 LEU A 72 10.784 3.146 -5.742 1.00 71.32 H new ATOM 0 HD12 LEU A 72 9.369 4.184 -6.043 1.00 71.32 H new ATOM 0 HD13 LEU A 72 10.759 4.229 -7.154 1.00 71.32 H new ATOM 0 HD21 LEU A 72 12.899 4.117 -4.955 1.00 62.41 H new ATOM 0 HD22 LEU A 72 12.952 5.236 -6.338 1.00 62.41 H new ATOM 0 HD23 LEU A 72 13.040 5.869 -4.677 1.00 62.41 H new ATOM 1107 N LYS A 73 9.588 9.476 -5.638 1.00 1.25 N ATOM 1108 CA LYS A 73 9.102 10.658 -6.340 1.00 43.44 C ATOM 1109 C LYS A 73 9.129 11.902 -5.460 1.00 1.32 C ATOM 1110 O LYS A 73 8.832 12.994 -5.937 1.00 50.14 O ATOM 1111 CB LYS A 73 7.683 10.425 -6.864 1.00 24.12 C ATOM 1112 CG LYS A 73 7.637 9.838 -8.264 1.00 30.21 C ATOM 1113 CD LYS A 73 8.211 10.814 -9.280 1.00 50.32 C ATOM 1114 CE LYS A 73 8.070 10.303 -10.705 1.00 21.10 C ATOM 1115 NZ LYS A 73 8.883 9.082 -10.950 1.00 63.13 N ATOM 0 H LYS A 73 8.881 8.993 -5.084 1.00 1.25 H new ATOM 0 HA LYS A 73 9.777 10.830 -7.179 1.00 43.44 H new ATOM 0 HB2 LYS A 73 7.159 9.756 -6.182 1.00 24.12 H new ATOM 0 HB3 LYS A 73 7.143 11.372 -6.859 1.00 24.12 H new ATOM 0 HG2 LYS A 73 8.201 8.905 -8.291 1.00 30.21 H new ATOM 0 HG3 LYS A 73 6.607 9.596 -8.528 1.00 30.21 H new ATOM 0 HD2 LYS A 73 7.703 11.774 -9.187 1.00 50.32 H new ATOM 0 HD3 LYS A 73 9.264 10.988 -9.060 1.00 50.32 H new ATOM 0 HE2 LYS A 73 7.021 10.085 -10.908 1.00 21.10 H new ATOM 0 HE3 LYS A 73 8.374 11.085 -11.401 1.00 21.10 H new ATOM 0 HZ1 LYS A 73 8.795 8.800 -11.947 1.00 63.13 H new ATOM 0 HZ2 LYS A 73 9.881 9.280 -10.733 1.00 63.13 H new ATOM 0 HZ3 LYS A 73 8.543 8.311 -10.341 1.00 63.13 H new ATOM 1129 N LYS A 74 9.448 11.720 -4.172 1.00 65.50 N ATOM 1130 CA LYS A 74 9.618 12.830 -3.217 1.00 11.10 C ATOM 1131 C LYS A 74 8.281 13.470 -2.809 1.00 74.13 C ATOM 1132 O LYS A 74 8.107 13.877 -1.658 1.00 1.55 O ATOM 1133 CB LYS A 74 10.566 13.887 -3.797 1.00 63.01 C ATOM 1134 CG LYS A 74 10.874 15.038 -2.854 1.00 24.14 C ATOM 1135 CD LYS A 74 11.548 14.555 -1.581 1.00 64.02 C ATOM 1136 CE LYS A 74 12.101 15.718 -0.776 1.00 14.54 C ATOM 1137 NZ LYS A 74 13.197 16.414 -1.498 1.00 21.25 N ATOM 0 H LYS A 74 9.596 10.799 -3.759 1.00 65.50 H new ATOM 0 HA LYS A 74 10.055 12.410 -2.311 1.00 11.10 H new ATOM 0 HB2 LYS A 74 11.501 13.403 -4.078 1.00 63.01 H new ATOM 0 HB3 LYS A 74 10.128 14.289 -4.710 1.00 63.01 H new ATOM 0 HG2 LYS A 74 11.519 15.758 -3.357 1.00 24.14 H new ATOM 0 HG3 LYS A 74 9.951 15.559 -2.602 1.00 24.14 H new ATOM 0 HD2 LYS A 74 10.832 13.999 -0.976 1.00 64.02 H new ATOM 0 HD3 LYS A 74 12.355 13.867 -1.832 1.00 64.02 H new ATOM 0 HE2 LYS A 74 11.300 16.425 -0.561 1.00 14.54 H new ATOM 0 HE3 LYS A 74 12.470 15.354 0.183 1.00 14.54 H new ATOM 0 HZ1 LYS A 74 13.788 16.932 -0.816 1.00 21.25 H new ATOM 0 HZ2 LYS A 74 13.780 15.715 -2.001 1.00 21.25 H new ATOM 0 HZ3 LYS A 74 12.791 17.083 -2.183 1.00 21.25 H new ATOM 1151 N GLN A 75 7.354 13.544 -3.754 1.00 55.30 N ATOM 1152 CA GLN A 75 6.055 14.177 -3.542 1.00 71.25 C ATOM 1153 C GLN A 75 5.260 13.523 -2.411 1.00 44.12 C ATOM 1154 O GLN A 75 5.499 12.372 -2.033 1.00 15.21 O ATOM 1155 CB GLN A 75 5.238 14.141 -4.835 1.00 20.32 C ATOM 1156 CG GLN A 75 5.164 12.762 -5.470 1.00 52.33 C ATOM 1157 CD GLN A 75 4.283 12.735 -6.701 1.00 1.35 C ATOM 1158 OE1 GLN A 75 3.299 13.462 -6.792 1.00 12.13 O ATOM 1159 NE2 GLN A 75 4.640 11.903 -7.661 1.00 52.42 N ATOM 0 H GLN A 75 7.480 13.166 -4.693 1.00 55.30 H new ATOM 0 HA GLN A 75 6.247 15.209 -3.249 1.00 71.25 H new ATOM 0 HB2 GLN A 75 4.227 14.490 -4.626 1.00 20.32 H new ATOM 0 HB3 GLN A 75 5.674 14.838 -5.550 1.00 20.32 H new ATOM 0 HG2 GLN A 75 6.169 12.436 -5.739 1.00 52.33 H new ATOM 0 HG3 GLN A 75 4.783 12.049 -4.739 1.00 52.33 H new ATOM 0 HE21 GLN A 75 5.466 11.315 -7.546 1.00 52.42 H new ATOM 0 HE22 GLN A 75 4.090 11.848 -8.518 1.00 52.42 H new ATOM 1168 N HIS A 76 4.308 14.281 -1.886 1.00 64.33 N ATOM 1169 CA HIS A 76 3.444 13.823 -0.810 1.00 4.24 C ATOM 1170 C HIS A 76 2.102 13.360 -1.359 1.00 71.11 C ATOM 1171 O HIS A 76 1.409 14.118 -2.040 1.00 2.53 O ATOM 1172 CB HIS A 76 3.198 14.949 0.199 1.00 53.15 C ATOM 1173 CG HIS A 76 4.413 15.393 0.950 1.00 14.34 C ATOM 1174 ND1 HIS A 76 5.278 16.358 0.484 1.00 24.55 N ATOM 1175 CD2 HIS A 76 4.890 15.019 2.160 1.00 43.33 C ATOM 1176 CE1 HIS A 76 6.230 16.558 1.372 1.00 31.03 C ATOM 1177 NE2 HIS A 76 6.019 15.760 2.399 1.00 24.42 N ATOM 0 H HIS A 76 4.113 15.233 -2.196 1.00 64.33 H new ATOM 0 HA HIS A 76 3.944 12.990 -0.316 1.00 4.24 H new ATOM 0 HB2 HIS A 76 2.781 15.806 -0.329 1.00 53.15 H new ATOM 0 HB3 HIS A 76 2.446 14.618 0.915 1.00 53.15 H new ATOM 0 HD1 HIS A 76 5.194 16.842 -0.410 1.00 24.55 H new ATOM 0 HD2 HIS A 76 4.461 14.275 2.815 1.00 43.33 H new ATOM 0 HE1 HIS A 76 7.046 17.258 1.275 1.00 31.03 H new ATOM 1186 N PHE A 77 1.744 12.124 -1.067 1.00 44.32 N ATOM 1187 CA PHE A 77 0.421 11.616 -1.398 1.00 54.24 C ATOM 1188 C PHE A 77 -0.454 11.682 -0.154 1.00 32.35 C ATOM 1189 O PHE A 77 -0.080 11.148 0.891 1.00 53.30 O ATOM 1190 CB PHE A 77 0.492 10.168 -1.893 1.00 0.12 C ATOM 1191 CG PHE A 77 1.348 9.963 -3.112 1.00 54.44 C ATOM 1192 CD1 PHE A 77 2.714 9.756 -2.992 1.00 44.15 C ATOM 1193 CD2 PHE A 77 0.787 9.965 -4.376 1.00 15.33 C ATOM 1194 CE1 PHE A 77 3.500 9.554 -4.110 1.00 4.23 C ATOM 1195 CE2 PHE A 77 1.567 9.767 -5.499 1.00 71.24 C ATOM 1196 CZ PHE A 77 2.925 9.561 -5.365 1.00 64.13 C ATOM 0 H PHE A 77 2.351 11.450 -0.600 1.00 44.32 H new ATOM 0 HA PHE A 77 -0.000 12.227 -2.196 1.00 54.24 H new ATOM 0 HB2 PHE A 77 0.874 9.541 -1.087 1.00 0.12 H new ATOM 0 HB3 PHE A 77 -0.518 9.823 -2.113 1.00 0.12 H new ATOM 0 HD1 PHE A 77 3.169 9.753 -2.012 1.00 44.15 H new ATOM 0 HD2 PHE A 77 -0.276 10.124 -4.487 1.00 15.33 H new ATOM 0 HE1 PHE A 77 4.562 9.391 -4.002 1.00 4.23 H new ATOM 0 HE2 PHE A 77 1.115 9.773 -6.480 1.00 71.24 H new ATOM 0 HZ PHE A 77 3.537 9.405 -6.241 1.00 64.13 H new ATOM 1206 N ARG A 78 -1.599 12.344 -0.244 1.00 73.44 N ATOM 1207 CA ARG A 78 -2.489 12.431 0.905 1.00 52.25 C ATOM 1208 C ARG A 78 -3.287 11.140 1.029 1.00 53.54 C ATOM 1209 O ARG A 78 -4.066 10.792 0.140 1.00 54.45 O ATOM 1210 CB ARG A 78 -3.416 13.646 0.807 1.00 73.44 C ATOM 1211 CG ARG A 78 -4.070 13.997 2.136 1.00 11.23 C ATOM 1212 CD ARG A 78 -4.634 15.411 2.145 1.00 73.13 C ATOM 1213 NE ARG A 78 -5.871 15.534 1.381 1.00 1.53 N ATOM 1214 CZ ARG A 78 -6.989 16.078 1.864 1.00 54.11 C ATOM 1215 NH1 ARG A 78 -7.003 16.594 3.090 1.00 44.54 N ATOM 1216 NH2 ARG A 78 -8.095 16.107 1.123 1.00 32.10 N ATOM 0 H ARG A 78 -1.929 12.820 -1.083 1.00 73.44 H new ATOM 0 HA ARG A 78 -1.886 12.564 1.803 1.00 52.25 H new ATOM 0 HB2 ARG A 78 -2.847 14.504 0.450 1.00 73.44 H new ATOM 0 HB3 ARG A 78 -4.191 13.447 0.067 1.00 73.44 H new ATOM 0 HG2 ARG A 78 -4.871 13.287 2.343 1.00 11.23 H new ATOM 0 HG3 ARG A 78 -3.338 13.895 2.937 1.00 11.23 H new ATOM 0 HD2 ARG A 78 -4.817 15.717 3.175 1.00 73.13 H new ATOM 0 HD3 ARG A 78 -3.891 16.096 1.736 1.00 73.13 H new ATOM 0 HE ARG A 78 -5.881 15.184 0.423 1.00 1.53 H new ATOM 0 HH11 ARG A 78 -6.158 16.574 3.661 1.00 44.54 H new ATOM 0 HH12 ARG A 78 -7.858 17.010 3.459 1.00 44.54 H new ATOM 0 HH21 ARG A 78 -8.089 15.712 0.182 1.00 32.10 H new ATOM 0 HH22 ARG A 78 -8.948 16.524 1.496 1.00 32.10 H new ATOM 1230 N LEU A 79 -3.080 10.440 2.141 1.00 55.43 N ATOM 1231 CA LEU A 79 -3.588 9.079 2.325 1.00 71.02 C ATOM 1232 C LEU A 79 -5.100 8.986 2.151 1.00 63.44 C ATOM 1233 O LEU A 79 -5.593 8.180 1.367 1.00 74.35 O ATOM 1234 CB LEU A 79 -3.195 8.556 3.710 1.00 1.21 C ATOM 1235 CG LEU A 79 -1.690 8.489 3.980 1.00 13.15 C ATOM 1236 CD1 LEU A 79 -1.424 8.017 5.401 1.00 61.23 C ATOM 1237 CD2 LEU A 79 -1.011 7.567 2.979 1.00 2.40 C ATOM 0 H LEU A 79 -2.557 10.797 2.940 1.00 55.43 H new ATOM 0 HA LEU A 79 -3.134 8.463 1.548 1.00 71.02 H new ATOM 0 HB2 LEU A 79 -3.655 9.193 4.465 1.00 1.21 H new ATOM 0 HB3 LEU A 79 -3.615 7.558 3.836 1.00 1.21 H new ATOM 0 HG LEU A 79 -1.275 9.490 3.866 1.00 13.15 H new ATOM 0 HD11 LEU A 79 -0.349 7.975 5.575 1.00 61.23 H new ATOM 0 HD12 LEU A 79 -1.879 8.712 6.106 1.00 61.23 H new ATOM 0 HD13 LEU A 79 -1.853 7.025 5.541 1.00 61.23 H new ATOM 0 HD21 LEU A 79 0.059 7.531 3.185 1.00 2.40 H new ATOM 0 HD22 LEU A 79 -1.431 6.565 3.064 1.00 2.40 H new ATOM 0 HD23 LEU A 79 -1.173 7.944 1.969 1.00 2.40 H new ATOM 1249 N TYR A 80 -5.833 9.822 2.872 1.00 52.23 N ATOM 1250 CA TYR A 80 -7.292 9.737 2.885 1.00 44.42 C ATOM 1251 C TYR A 80 -7.893 10.641 1.808 1.00 72.10 C ATOM 1252 O TYR A 80 -8.999 11.162 1.958 1.00 20.24 O ATOM 1253 CB TYR A 80 -7.808 10.134 4.274 1.00 52.33 C ATOM 1254 CG TYR A 80 -9.128 9.491 4.658 1.00 61.25 C ATOM 1255 CD1 TYR A 80 -9.180 8.158 5.043 1.00 63.33 C ATOM 1256 CD2 TYR A 80 -10.315 10.214 4.642 1.00 32.43 C ATOM 1257 CE1 TYR A 80 -10.375 7.565 5.406 1.00 73.12 C ATOM 1258 CE2 TYR A 80 -11.513 9.627 5.005 1.00 40.31 C ATOM 1259 CZ TYR A 80 -11.537 8.302 5.384 1.00 61.13 C ATOM 1260 OH TYR A 80 -12.727 7.714 5.755 1.00 74.22 O ATOM 0 H TYR A 80 -5.447 10.565 3.454 1.00 52.23 H new ATOM 0 HA TYR A 80 -7.595 8.713 2.668 1.00 44.42 H new ATOM 0 HB2 TYR A 80 -7.057 9.867 5.018 1.00 52.33 H new ATOM 0 HB3 TYR A 80 -7.921 11.218 4.311 1.00 52.33 H new ATOM 0 HD1 TYR A 80 -8.271 7.574 5.059 1.00 63.33 H new ATOM 0 HD2 TYR A 80 -10.301 11.251 4.341 1.00 32.43 H new ATOM 0 HE1 TYR A 80 -10.396 6.528 5.706 1.00 73.12 H new ATOM 0 HE2 TYR A 80 -12.426 10.204 4.992 1.00 40.31 H new ATOM 0 HH TYR A 80 -13.452 8.370 5.685 1.00 74.22 H new ATOM 1270 N ASP A 81 -7.176 10.798 0.706 1.00 42.20 N ATOM 1271 CA ASP A 81 -7.594 11.707 -0.349 1.00 35.31 C ATOM 1272 C ASP A 81 -7.220 11.169 -1.724 1.00 1.23 C ATOM 1273 O ASP A 81 -8.079 11.001 -2.589 1.00 35.54 O ATOM 1274 CB ASP A 81 -6.953 13.069 -0.120 1.00 25.50 C ATOM 1275 CG ASP A 81 -7.199 14.042 -1.249 1.00 73.40 C ATOM 1276 OD1 ASP A 81 -8.224 14.754 -1.218 1.00 14.40 O ATOM 1277 OD2 ASP A 81 -6.344 14.130 -2.142 1.00 62.34 O ATOM 0 H ASP A 81 -6.301 10.307 0.519 1.00 42.20 H new ATOM 0 HA ASP A 81 -8.679 11.802 -0.319 1.00 35.31 H new ATOM 0 HB2 ASP A 81 -7.339 13.493 0.807 1.00 25.50 H new ATOM 0 HB3 ASP A 81 -5.879 12.940 0.012 1.00 25.50 H new ATOM 1282 N GLY A 82 -5.936 10.902 -1.921 1.00 45.43 N ATOM 1283 CA GLY A 82 -5.484 10.338 -3.175 1.00 2.01 C ATOM 1284 C GLY A 82 -4.607 11.285 -3.972 1.00 22.14 C ATOM 1285 O GLY A 82 -3.697 10.845 -4.680 1.00 51.53 O ATOM 0 H GLY A 82 -5.200 11.066 -1.234 1.00 45.43 H new ATOM 0 HA2 GLY A 82 -4.930 9.421 -2.975 1.00 2.01 H new ATOM 0 HA3 GLY A 82 -6.351 10.062 -3.776 1.00 2.01 H new ATOM 1289 N PHE A 83 -4.865 12.581 -3.853 1.00 2.20 N ATOM 1290 CA PHE A 83 -4.127 13.582 -4.619 1.00 31.33 C ATOM 1291 C PHE A 83 -2.756 13.848 -4.008 1.00 20.21 C ATOM 1292 O PHE A 83 -2.472 13.447 -2.876 1.00 2.30 O ATOM 1293 CB PHE A 83 -4.911 14.896 -4.705 1.00 44.43 C ATOM 1294 CG PHE A 83 -6.160 14.816 -5.535 1.00 21.33 C ATOM 1295 CD1 PHE A 83 -7.355 14.382 -4.981 1.00 5.03 C ATOM 1296 CD2 PHE A 83 -6.141 15.189 -6.868 1.00 14.32 C ATOM 1297 CE1 PHE A 83 -8.505 14.319 -5.742 1.00 52.12 C ATOM 1298 CE2 PHE A 83 -7.289 15.128 -7.633 1.00 63.35 C ATOM 1299 CZ PHE A 83 -8.472 14.694 -7.069 1.00 5.40 C ATOM 0 H PHE A 83 -5.579 12.965 -3.234 1.00 2.20 H new ATOM 0 HA PHE A 83 -3.991 13.181 -5.624 1.00 31.33 H new ATOM 0 HB2 PHE A 83 -5.178 15.213 -3.697 1.00 44.43 H new ATOM 0 HB3 PHE A 83 -4.262 15.667 -5.120 1.00 44.43 H new ATOM 0 HD1 PHE A 83 -7.386 14.090 -3.942 1.00 5.03 H new ATOM 0 HD2 PHE A 83 -5.219 15.531 -7.314 1.00 14.32 H new ATOM 0 HE1 PHE A 83 -9.429 13.977 -5.299 1.00 52.12 H new ATOM 0 HE2 PHE A 83 -7.261 15.420 -8.672 1.00 63.35 H new ATOM 0 HZ PHE A 83 -9.371 14.648 -7.666 1.00 5.40 H new ATOM 1309 N CYS A 84 -1.913 14.529 -4.770 1.00 63.54 N ATOM 1310 CA CYS A 84 -0.563 14.843 -4.338 1.00 74.24 C ATOM 1311 C CYS A 84 -0.450 16.322 -3.968 1.00 71.32 C ATOM 1312 O CYS A 84 -1.273 17.140 -4.386 1.00 3.53 O ATOM 1313 CB CYS A 84 0.421 14.485 -5.451 1.00 71.22 C ATOM 1314 SG CYS A 84 0.155 12.837 -6.144 1.00 74.02 S ATOM 0 H CYS A 84 -2.146 14.877 -5.700 1.00 63.54 H new ATOM 0 HA CYS A 84 -0.323 14.258 -3.450 1.00 74.24 H new ATOM 0 HB2 CYS A 84 0.340 15.224 -6.249 1.00 71.22 H new ATOM 0 HB3 CYS A 84 1.437 14.547 -5.061 1.00 71.22 H new ATOM 0 HG CYS A 84 0.651 11.943 -5.341 1.00 74.02 H new ATOM 1320 N LEU A 85 0.562 16.660 -3.180 1.00 33.24 N ATOM 1321 CA LEU A 85 0.724 18.023 -2.686 1.00 32.32 C ATOM 1322 C LEU A 85 1.430 18.912 -3.704 1.00 21.20 C ATOM 1323 O LEU A 85 0.848 19.860 -4.223 1.00 12.43 O ATOM 1324 CB LEU A 85 1.509 18.020 -1.371 1.00 3.42 C ATOM 1325 CG LEU A 85 1.736 19.395 -0.736 1.00 45.33 C ATOM 1326 CD1 LEU A 85 0.411 20.044 -0.368 1.00 21.24 C ATOM 1327 CD2 LEU A 85 2.632 19.274 0.489 1.00 1.15 C ATOM 0 H LEU A 85 1.284 16.010 -2.869 1.00 33.24 H new ATOM 0 HA LEU A 85 -0.273 18.430 -2.516 1.00 32.32 H new ATOM 0 HB2 LEU A 85 0.981 17.391 -0.654 1.00 3.42 H new ATOM 0 HB3 LEU A 85 2.479 17.556 -1.548 1.00 3.42 H new ATOM 0 HG LEU A 85 2.235 20.032 -1.467 1.00 45.33 H new ATOM 0 HD11 LEU A 85 0.596 21.020 0.081 1.00 21.24 H new ATOM 0 HD12 LEU A 85 -0.196 20.167 -1.265 1.00 21.24 H new ATOM 0 HD13 LEU A 85 -0.119 19.411 0.344 1.00 21.24 H new ATOM 0 HD21 LEU A 85 2.783 20.260 0.928 1.00 1.15 H new ATOM 0 HD22 LEU A 85 2.160 18.619 1.222 1.00 1.15 H new ATOM 0 HD23 LEU A 85 3.595 18.856 0.196 1.00 1.15 H new ATOM 1339 N GLU A 86 2.685 18.602 -3.983 1.00 3.24 N ATOM 1340 CA GLU A 86 3.509 19.434 -4.850 1.00 21.41 C ATOM 1341 C GLU A 86 3.439 18.977 -6.303 1.00 33.13 C ATOM 1342 O GLU A 86 3.895 19.678 -7.208 1.00 44.34 O ATOM 1343 CB GLU A 86 4.968 19.450 -4.368 1.00 43.14 C ATOM 1344 CG GLU A 86 5.566 18.072 -4.110 1.00 72.33 C ATOM 1345 CD GLU A 86 5.109 17.461 -2.798 1.00 21.43 C ATOM 1346 OE1 GLU A 86 5.762 17.697 -1.762 1.00 42.32 O ATOM 1347 OE2 GLU A 86 4.091 16.740 -2.794 1.00 63.43 O ATOM 0 H GLU A 86 3.160 17.775 -3.620 1.00 3.24 H new ATOM 0 HA GLU A 86 3.111 20.447 -4.798 1.00 21.41 H new ATOM 0 HB2 GLU A 86 5.577 19.962 -5.113 1.00 43.14 H new ATOM 0 HB3 GLU A 86 5.027 20.035 -3.450 1.00 43.14 H new ATOM 0 HG2 GLU A 86 5.294 17.405 -4.929 1.00 72.33 H new ATOM 0 HG3 GLU A 86 6.653 18.149 -4.109 1.00 72.33 H new ATOM 1354 N ASP A 87 2.863 17.808 -6.524 1.00 24.02 N ATOM 1355 CA ASP A 87 2.710 17.270 -7.870 1.00 33.21 C ATOM 1356 C ASP A 87 1.299 16.705 -8.024 1.00 4.21 C ATOM 1357 O ASP A 87 0.410 17.049 -7.245 1.00 75.22 O ATOM 1358 CB ASP A 87 3.775 16.197 -8.135 1.00 20.52 C ATOM 1359 CG ASP A 87 3.959 15.908 -9.612 1.00 23.24 C ATOM 1360 OD1 ASP A 87 4.697 16.664 -10.279 1.00 10.32 O ATOM 1361 OD2 ASP A 87 3.354 14.940 -10.117 1.00 3.13 O ATOM 0 H ASP A 87 2.491 17.209 -5.787 1.00 24.02 H new ATOM 0 HA ASP A 87 2.851 18.062 -8.606 1.00 33.21 H new ATOM 0 HB2 ASP A 87 4.725 16.522 -7.711 1.00 20.52 H new ATOM 0 HB3 ASP A 87 3.494 15.278 -7.621 1.00 20.52 H new ATOM 1366 N GLY A 88 1.083 15.852 -9.015 1.00 32.11 N ATOM 1367 CA GLY A 88 -0.228 15.268 -9.206 1.00 11.51 C ATOM 1368 C GLY A 88 -0.331 14.443 -10.469 1.00 0.21 C ATOM 1369 O GLY A 88 -1.416 14.290 -11.030 1.00 60.15 O ATOM 0 H GLY A 88 1.790 15.555 -9.688 1.00 32.11 H new ATOM 0 HA2 GLY A 88 -0.468 14.640 -8.348 1.00 11.51 H new ATOM 0 HA3 GLY A 88 -0.973 16.063 -9.237 1.00 11.51 H new ATOM 1373 N ALA A 89 0.791 13.895 -10.914 1.00 20.24 N ATOM 1374 CA ALA A 89 0.818 13.095 -12.134 1.00 1.44 C ATOM 1375 C ALA A 89 0.399 11.651 -11.864 1.00 51.11 C ATOM 1376 O ALA A 89 0.410 10.814 -12.766 1.00 44.24 O ATOM 1377 CB ALA A 89 2.202 13.135 -12.765 1.00 54.41 C ATOM 0 H ALA A 89 1.695 13.989 -10.450 1.00 20.24 H new ATOM 0 HA ALA A 89 0.100 13.527 -12.831 1.00 1.44 H new ATOM 0 HB1 ALA A 89 2.205 12.533 -13.674 1.00 54.41 H new ATOM 0 HB2 ALA A 89 2.460 14.165 -13.011 1.00 54.41 H new ATOM 0 HB3 ALA A 89 2.934 12.735 -12.063 1.00 54.41 H new ATOM 1383 N TYR A 90 0.025 11.357 -10.626 1.00 44.40 N ATOM 1384 CA TYR A 90 -0.387 10.008 -10.263 1.00 15.02 C ATOM 1385 C TYR A 90 -1.814 9.990 -9.722 1.00 41.44 C ATOM 1386 O TYR A 90 -2.746 9.637 -10.450 1.00 61.24 O ATOM 1387 CB TYR A 90 0.575 9.403 -9.238 1.00 62.34 C ATOM 1388 CG TYR A 90 1.951 9.110 -9.794 1.00 64.14 C ATOM 1389 CD1 TYR A 90 2.231 7.891 -10.397 1.00 2.44 C ATOM 1390 CD2 TYR A 90 2.970 10.050 -9.713 1.00 1.41 C ATOM 1391 CE1 TYR A 90 3.489 7.614 -10.902 1.00 54.04 C ATOM 1392 CE2 TYR A 90 4.230 9.783 -10.216 1.00 11.13 C ATOM 1393 CZ TYR A 90 4.484 8.564 -10.809 1.00 40.12 C ATOM 1394 OH TYR A 90 5.739 8.293 -11.307 1.00 23.32 O ATOM 0 H TYR A 90 -0.002 12.030 -9.860 1.00 44.40 H new ATOM 0 HA TYR A 90 -0.360 9.402 -11.168 1.00 15.02 H new ATOM 0 HB2 TYR A 90 0.672 10.088 -8.395 1.00 62.34 H new ATOM 0 HB3 TYR A 90 0.145 8.479 -8.851 1.00 62.34 H new ATOM 0 HD1 TYR A 90 1.453 7.146 -10.473 1.00 2.44 H new ATOM 0 HD2 TYR A 90 2.775 11.006 -9.249 1.00 1.41 H new ATOM 0 HE1 TYR A 90 3.690 6.660 -11.366 1.00 54.04 H new ATOM 0 HE2 TYR A 90 5.011 10.525 -10.145 1.00 11.13 H new ATOM 0 HH TYR A 90 5.664 7.674 -12.063 1.00 23.32 H new ATOM 1404 N SER A 91 -1.969 10.393 -8.458 1.00 40.12 N ATOM 1405 CA SER A 91 -3.261 10.361 -7.766 1.00 62.14 C ATOM 1406 C SER A 91 -3.734 8.920 -7.556 1.00 44.13 C ATOM 1407 O SER A 91 -4.113 8.228 -8.500 1.00 1.33 O ATOM 1408 CB SER A 91 -4.315 11.165 -8.528 1.00 73.03 C ATOM 1409 OG SER A 91 -3.890 12.503 -8.735 1.00 32.02 O ATOM 0 H SER A 91 -1.204 10.750 -7.886 1.00 40.12 H new ATOM 0 HA SER A 91 -3.124 10.823 -6.788 1.00 62.14 H new ATOM 0 HB2 SER A 91 -4.513 10.691 -9.489 1.00 73.03 H new ATOM 0 HB3 SER A 91 -5.252 11.160 -7.971 1.00 73.03 H new ATOM 0 HG SER A 91 -4.582 12.994 -9.226 1.00 32.02 H new ATOM 1415 N VAL A 92 -3.702 8.472 -6.311 1.00 14.31 N ATOM 1416 CA VAL A 92 -4.058 7.098 -5.984 1.00 44.01 C ATOM 1417 C VAL A 92 -5.518 6.991 -5.552 1.00 41.42 C ATOM 1418 O VAL A 92 -6.163 7.999 -5.253 1.00 34.03 O ATOM 1419 CB VAL A 92 -3.152 6.535 -4.866 1.00 2.43 C ATOM 1420 CG1 VAL A 92 -1.696 6.534 -5.303 1.00 65.25 C ATOM 1421 CG2 VAL A 92 -3.319 7.332 -3.580 1.00 72.34 C ATOM 0 H VAL A 92 -3.433 9.040 -5.508 1.00 14.31 H new ATOM 0 HA VAL A 92 -3.912 6.509 -6.889 1.00 44.01 H new ATOM 0 HB VAL A 92 -3.456 5.506 -4.673 1.00 2.43 H new ATOM 0 HG11 VAL A 92 -1.076 6.134 -4.501 1.00 65.25 H new ATOM 0 HG12 VAL A 92 -1.584 5.914 -6.193 1.00 65.25 H new ATOM 0 HG13 VAL A 92 -1.383 7.553 -5.529 1.00 65.25 H new ATOM 0 HG21 VAL A 92 -2.671 6.917 -2.808 1.00 72.34 H new ATOM 0 HG22 VAL A 92 -3.049 8.373 -3.759 1.00 72.34 H new ATOM 0 HG23 VAL A 92 -4.357 7.278 -3.251 1.00 72.34 H new ATOM 1431 N ALA A 93 -6.040 5.772 -5.546 1.00 41.42 N ATOM 1432 CA ALA A 93 -7.382 5.519 -5.047 1.00 31.41 C ATOM 1433 C ALA A 93 -7.308 4.988 -3.623 1.00 41.21 C ATOM 1434 O ALA A 93 -6.233 4.603 -3.161 1.00 72.34 O ATOM 1435 CB ALA A 93 -8.113 4.534 -5.951 1.00 3.42 C ATOM 0 H ALA A 93 -5.552 4.942 -5.882 1.00 41.42 H new ATOM 0 HA ALA A 93 -7.942 6.454 -5.046 1.00 31.41 H new ATOM 0 HB1 ALA A 93 -9.115 4.357 -5.561 1.00 3.42 H new ATOM 0 HB2 ALA A 93 -8.183 4.947 -6.958 1.00 3.42 H new ATOM 0 HB3 ALA A 93 -7.565 3.593 -5.982 1.00 3.42 H new ATOM 1441 N ALA A 94 -8.442 4.955 -2.939 1.00 1.32 N ATOM 1442 CA ALA A 94 -8.489 4.537 -1.552 1.00 30.03 C ATOM 1443 C ALA A 94 -9.742 3.717 -1.297 1.00 30.31 C ATOM 1444 O ALA A 94 -10.859 4.188 -1.509 1.00 24.54 O ATOM 1445 CB ALA A 94 -8.449 5.745 -0.629 1.00 40.51 C ATOM 0 H ALA A 94 -9.348 5.216 -3.329 1.00 1.32 H new ATOM 0 HA ALA A 94 -7.616 3.918 -1.344 1.00 30.03 H new ATOM 0 HB1 ALA A 94 -8.485 5.412 0.408 1.00 40.51 H new ATOM 0 HB2 ALA A 94 -7.528 6.303 -0.799 1.00 40.51 H new ATOM 0 HB3 ALA A 94 -9.305 6.388 -0.834 1.00 40.51 H new ATOM 1451 N TYR A 95 -9.545 2.485 -0.872 1.00 72.31 N ATOM 1452 CA TYR A 95 -10.657 1.597 -0.565 1.00 74.43 C ATOM 1453 C TYR A 95 -11.117 1.770 0.875 1.00 3.14 C ATOM 1454 O TYR A 95 -10.317 2.087 1.759 1.00 13.14 O ATOM 1455 CB TYR A 95 -10.271 0.137 -0.811 1.00 74.23 C ATOM 1456 CG TYR A 95 -10.210 -0.243 -2.273 1.00 3.51 C ATOM 1457 CD1 TYR A 95 -11.114 0.286 -3.187 1.00 62.50 C ATOM 1458 CD2 TYR A 95 -9.257 -1.140 -2.737 1.00 62.14 C ATOM 1459 CE1 TYR A 95 -11.069 -0.068 -4.519 1.00 45.11 C ATOM 1460 CE2 TYR A 95 -9.208 -1.501 -4.069 1.00 73.15 C ATOM 1461 CZ TYR A 95 -10.116 -0.962 -4.955 1.00 31.45 C ATOM 1462 OH TYR A 95 -10.078 -1.325 -6.281 1.00 53.40 O ATOM 0 H TYR A 95 -8.623 2.072 -0.730 1.00 72.31 H new ATOM 0 HA TYR A 95 -11.480 1.863 -1.228 1.00 74.43 H new ATOM 0 HB2 TYR A 95 -9.299 -0.053 -0.356 1.00 74.23 H new ATOM 0 HB3 TYR A 95 -10.991 -0.509 -0.308 1.00 74.23 H new ATOM 0 HD1 TYR A 95 -11.864 0.986 -2.848 1.00 62.50 H new ATOM 0 HD2 TYR A 95 -8.543 -1.562 -2.045 1.00 62.14 H new ATOM 0 HE1 TYR A 95 -11.777 0.354 -5.217 1.00 45.11 H new ATOM 0 HE2 TYR A 95 -8.462 -2.202 -4.415 1.00 73.15 H new ATOM 0 HH TYR A 95 -10.061 -2.302 -6.352 1.00 53.40 H new ATOM 1472 N ASP A 96 -12.411 1.567 1.099 1.00 3.10 N ATOM 1473 CA ASP A 96 -12.984 1.634 2.438 1.00 65.21 C ATOM 1474 C ASP A 96 -12.449 0.495 3.287 1.00 4.30 C ATOM 1475 O ASP A 96 -12.299 -0.624 2.802 1.00 64.02 O ATOM 1476 CB ASP A 96 -14.510 1.528 2.387 1.00 54.14 C ATOM 1477 CG ASP A 96 -15.156 2.573 1.509 1.00 62.02 C ATOM 1478 OD1 ASP A 96 -15.333 2.305 0.301 1.00 5.45 O ATOM 1479 OD2 ASP A 96 -15.530 3.644 2.028 1.00 3.12 O ATOM 0 H ASP A 96 -13.086 1.353 0.365 1.00 3.10 H new ATOM 0 HA ASP A 96 -12.705 2.594 2.873 1.00 65.21 H new ATOM 0 HB2 ASP A 96 -14.786 0.538 2.024 1.00 54.14 H new ATOM 0 HB3 ASP A 96 -14.907 1.618 3.398 1.00 54.14 H new ATOM 1484 N THR A 97 -12.171 0.780 4.544 1.00 22.51 N ATOM 1485 CA THR A 97 -11.693 -0.232 5.471 1.00 53.43 C ATOM 1486 C THR A 97 -12.691 -0.435 6.607 1.00 21.45 C ATOM 1487 O THR A 97 -13.079 0.516 7.284 1.00 23.31 O ATOM 1488 CB THR A 97 -10.323 0.158 6.057 1.00 74.12 C ATOM 1489 OG1 THR A 97 -10.329 1.537 6.453 1.00 5.21 O ATOM 1490 CG2 THR A 97 -9.211 -0.077 5.046 1.00 11.44 C ATOM 0 H THR A 97 -12.268 1.710 4.951 1.00 22.51 H new ATOM 0 HA THR A 97 -11.586 -1.164 4.915 1.00 53.43 H new ATOM 0 HB THR A 97 -10.139 -0.470 6.929 1.00 74.12 H new ATOM 0 HG1 THR A 97 -11.158 1.735 6.936 1.00 5.21 H new ATOM 0 HG21 THR A 97 -8.254 0.206 5.485 1.00 11.44 H new ATOM 0 HG22 THR A 97 -9.186 -1.131 4.771 1.00 11.44 H new ATOM 0 HG23 THR A 97 -9.395 0.526 4.156 1.00 11.44 H new ATOM 1498 N GLN A 98 -13.119 -1.671 6.796 1.00 34.10 N ATOM 1499 CA GLN A 98 -14.050 -2.001 7.860 1.00 42.42 C ATOM 1500 C GLN A 98 -13.350 -2.739 8.982 1.00 50.15 C ATOM 1501 O GLN A 98 -12.509 -3.612 8.751 1.00 22.02 O ATOM 1502 CB GLN A 98 -15.197 -2.859 7.334 1.00 64.35 C ATOM 1503 CG GLN A 98 -16.197 -3.279 8.403 1.00 15.03 C ATOM 1504 CD GLN A 98 -17.255 -4.238 7.884 1.00 31.14 C ATOM 1505 OE1 GLN A 98 -18.383 -4.257 8.372 1.00 35.41 O ATOM 1506 NE2 GLN A 98 -16.900 -5.045 6.896 1.00 51.25 N ATOM 0 H GLN A 98 -12.835 -2.466 6.223 1.00 34.10 H new ATOM 0 HA GLN A 98 -14.451 -1.063 8.244 1.00 42.42 H new ATOM 0 HB2 GLN A 98 -15.723 -2.306 6.556 1.00 64.35 H new ATOM 0 HB3 GLN A 98 -14.784 -3.753 6.866 1.00 64.35 H new ATOM 0 HG2 GLN A 98 -15.662 -3.749 9.228 1.00 15.03 H new ATOM 0 HG3 GLN A 98 -16.685 -2.391 8.805 1.00 15.03 H new ATOM 0 HE21 GLN A 98 -15.954 -5.001 6.516 1.00 51.25 H new ATOM 0 HE22 GLN A 98 -17.572 -5.711 6.515 1.00 51.25 H new ATOM 1515 N VAL A 99 -13.723 -2.381 10.187 1.00 12.35 N ATOM 1516 CA VAL A 99 -13.255 -3.055 11.381 1.00 43.52 C ATOM 1517 C VAL A 99 -14.262 -4.131 11.759 1.00 74.23 C ATOM 1518 O VAL A 99 -15.297 -3.846 12.362 1.00 4.42 O ATOM 1519 CB VAL A 99 -13.076 -2.068 12.555 1.00 71.44 C ATOM 1520 CG1 VAL A 99 -12.536 -2.783 13.784 1.00 52.32 C ATOM 1521 CG2 VAL A 99 -12.158 -0.922 12.157 1.00 73.02 C ATOM 0 H VAL A 99 -14.364 -1.609 10.371 1.00 12.35 H new ATOM 0 HA VAL A 99 -12.282 -3.500 11.174 1.00 43.52 H new ATOM 0 HB VAL A 99 -14.054 -1.655 12.803 1.00 71.44 H new ATOM 0 HG11 VAL A 99 -12.418 -2.068 14.598 1.00 52.32 H new ATOM 0 HG12 VAL A 99 -13.233 -3.565 14.086 1.00 52.32 H new ATOM 0 HG13 VAL A 99 -11.569 -3.229 13.550 1.00 52.32 H new ATOM 0 HG21 VAL A 99 -12.045 -0.238 12.998 1.00 73.02 H new ATOM 0 HG22 VAL A 99 -11.182 -1.318 11.877 1.00 73.02 H new ATOM 0 HG23 VAL A 99 -12.589 -0.388 11.310 1.00 73.02 H new ATOM 1531 N THR A 100 -13.975 -5.361 11.366 1.00 13.20 N ATOM 1532 CA THR A 100 -14.926 -6.449 11.538 1.00 43.22 C ATOM 1533 C THR A 100 -14.797 -7.097 12.913 1.00 51.10 C ATOM 1534 O THR A 100 -15.706 -7.798 13.360 1.00 11.41 O ATOM 1535 CB THR A 100 -14.746 -7.519 10.437 1.00 5.21 C ATOM 1536 OG1 THR A 100 -15.776 -8.509 10.526 1.00 44.41 O ATOM 1537 CG2 THR A 100 -13.385 -8.196 10.539 1.00 41.31 C ATOM 0 H THR A 100 -13.095 -5.631 10.927 1.00 13.20 H new ATOM 0 HA THR A 100 -15.924 -6.018 11.455 1.00 43.22 H new ATOM 0 HB THR A 100 -14.812 -7.011 9.475 1.00 5.21 H new ATOM 0 HG1 THR A 100 -16.182 -8.480 11.417 1.00 44.41 H new ATOM 0 HG21 THR A 100 -13.290 -8.943 9.751 1.00 41.31 H new ATOM 0 HG22 THR A 100 -12.598 -7.450 10.428 1.00 41.31 H new ATOM 0 HG23 THR A 100 -13.292 -8.680 11.511 1.00 41.31 H new ATOM 1545 N ASN A 101 -13.672 -6.848 13.580 1.00 31.01 N ATOM 1546 CA ASN A 101 -13.373 -7.465 14.874 1.00 41.40 C ATOM 1547 C ASN A 101 -12.001 -7.001 15.340 1.00 24.24 C ATOM 1548 O ASN A 101 -11.878 -6.136 16.206 1.00 42.21 O ATOM 1549 CB ASN A 101 -13.398 -9.002 14.758 1.00 10.31 C ATOM 1550 CG ASN A 101 -13.202 -9.721 16.085 1.00 54.41 C ATOM 1551 OD1 ASN A 101 -12.523 -9.234 16.985 1.00 11.13 O ATOM 1552 ND2 ASN A 101 -13.801 -10.894 16.210 1.00 34.33 N ATOM 0 H ASN A 101 -12.945 -6.217 13.243 1.00 31.01 H new ATOM 0 HA ASN A 101 -14.130 -7.164 15.599 1.00 41.40 H new ATOM 0 HB2 ASN A 101 -14.351 -9.309 14.326 1.00 10.31 H new ATOM 0 HB3 ASN A 101 -12.618 -9.318 14.066 1.00 10.31 H new ATOM 0 HD21 ASN A 101 -13.707 -11.425 17.076 1.00 34.33 H new ATOM 0 HD22 ASN A 101 -14.357 -11.267 15.441 1.00 34.33 H new ATOM 1559 N GLY A 102 -10.985 -7.596 14.751 1.00 43.04 N ATOM 1560 CA GLY A 102 -9.617 -7.181 14.969 1.00 70.15 C ATOM 1561 C GLY A 102 -8.818 -7.424 13.718 1.00 4.44 C ATOM 1562 O GLY A 102 -7.598 -7.599 13.752 1.00 73.54 O ATOM 0 H GLY A 102 -11.085 -8.381 14.108 1.00 43.04 H new ATOM 0 HA2 GLY A 102 -9.584 -6.125 15.236 1.00 70.15 H new ATOM 0 HA3 GLY A 102 -9.186 -7.735 15.803 1.00 70.15 H new ATOM 1566 N ASN A 103 -9.547 -7.457 12.612 1.00 12.42 N ATOM 1567 CA ASN A 103 -9.000 -7.760 11.302 1.00 24.22 C ATOM 1568 C ASN A 103 -9.570 -6.766 10.304 1.00 33.20 C ATOM 1569 O ASN A 103 -10.676 -6.254 10.500 1.00 34.20 O ATOM 1570 CB ASN A 103 -9.367 -9.190 10.887 1.00 61.41 C ATOM 1571 CG ASN A 103 -8.780 -10.248 11.805 1.00 30.25 C ATOM 1572 OD1 ASN A 103 -7.668 -10.108 12.313 1.00 40.14 O ATOM 1573 ND2 ASN A 103 -9.537 -11.308 12.040 1.00 61.53 N ATOM 0 H ASN A 103 -10.550 -7.271 12.602 1.00 12.42 H new ATOM 0 HA ASN A 103 -7.913 -7.684 11.329 1.00 24.22 H new ATOM 0 HB2 ASN A 103 -10.452 -9.291 10.874 1.00 61.41 H new ATOM 0 HB3 ASN A 103 -9.019 -9.367 9.869 1.00 61.41 H new ATOM 0 HD21 ASN A 103 -9.204 -12.045 12.661 1.00 61.53 H new ATOM 0 HD22 ASN A 103 -10.454 -11.388 11.600 1.00 61.53 H new ATOM 1580 N VAL A 104 -8.844 -6.513 9.229 1.00 75.14 N ATOM 1581 CA VAL A 104 -9.207 -5.442 8.311 1.00 21.02 C ATOM 1582 C VAL A 104 -9.927 -5.992 7.086 1.00 24.11 C ATOM 1583 O VAL A 104 -9.570 -7.051 6.578 1.00 53.25 O ATOM 1584 CB VAL A 104 -7.959 -4.651 7.855 1.00 43.02 C ATOM 1585 CG1 VAL A 104 -8.348 -3.473 6.974 1.00 12.43 C ATOM 1586 CG2 VAL A 104 -7.156 -4.176 9.058 1.00 74.13 C ATOM 0 H VAL A 104 -8.004 -7.030 8.969 1.00 75.14 H new ATOM 0 HA VAL A 104 -9.877 -4.771 8.849 1.00 21.02 H new ATOM 0 HB VAL A 104 -7.335 -5.321 7.265 1.00 43.02 H new ATOM 0 HG11 VAL A 104 -7.451 -2.935 6.668 1.00 12.43 H new ATOM 0 HG12 VAL A 104 -8.872 -3.837 6.090 1.00 12.43 H new ATOM 0 HG13 VAL A 104 -9.001 -2.802 7.532 1.00 12.43 H new ATOM 0 HG21 VAL A 104 -6.282 -3.622 8.716 1.00 74.13 H new ATOM 0 HG22 VAL A 104 -7.777 -3.529 9.677 1.00 74.13 H new ATOM 0 HG23 VAL A 104 -6.833 -5.037 9.643 1.00 74.13 H new ATOM 1596 N GLN A 105 -10.958 -5.286 6.637 1.00 32.53 N ATOM 1597 CA GLN A 105 -11.628 -5.616 5.382 1.00 52.13 C ATOM 1598 C GLN A 105 -11.750 -4.372 4.517 1.00 10.41 C ATOM 1599 O GLN A 105 -12.157 -3.322 5.001 1.00 20.25 O ATOM 1600 CB GLN A 105 -13.023 -6.205 5.624 1.00 22.21 C ATOM 1601 CG GLN A 105 -13.014 -7.522 6.375 1.00 64.03 C ATOM 1602 CD GLN A 105 -14.326 -8.268 6.237 1.00 71.44 C ATOM 1603 OE1 GLN A 105 -14.497 -9.069 5.320 1.00 44.41 O ATOM 1604 NE2 GLN A 105 -15.260 -8.010 7.139 1.00 34.34 N ATOM 0 H GLN A 105 -11.350 -4.480 7.123 1.00 32.53 H new ATOM 0 HA GLN A 105 -11.024 -6.367 4.872 1.00 52.13 H new ATOM 0 HB2 GLN A 105 -13.619 -5.484 6.183 1.00 22.21 H new ATOM 0 HB3 GLN A 105 -13.517 -6.350 4.663 1.00 22.21 H new ATOM 0 HG2 GLN A 105 -12.202 -8.146 6.001 1.00 64.03 H new ATOM 0 HG3 GLN A 105 -12.813 -7.335 7.430 1.00 64.03 H new ATOM 0 HE21 GLN A 105 -15.077 -7.338 7.884 1.00 34.34 H new ATOM 0 HE22 GLN A 105 -16.162 -8.483 7.089 1.00 34.34 H new ATOM 1613 N ILE A 106 -11.384 -4.483 3.252 1.00 1.55 N ATOM 1614 CA ILE A 106 -11.501 -3.362 2.331 1.00 70.03 C ATOM 1615 C ILE A 106 -12.561 -3.639 1.271 1.00 63.34 C ATOM 1616 O ILE A 106 -12.743 -4.783 0.849 1.00 25.12 O ATOM 1617 CB ILE A 106 -10.161 -3.001 1.632 1.00 71.11 C ATOM 1618 CG1 ILE A 106 -9.745 -4.052 0.586 1.00 23.12 C ATOM 1619 CG2 ILE A 106 -9.058 -2.816 2.666 1.00 61.21 C ATOM 1620 CD1 ILE A 106 -9.281 -5.374 1.167 1.00 51.24 C ATOM 0 H ILE A 106 -11.004 -5.335 2.838 1.00 1.55 H new ATOM 0 HA ILE A 106 -11.795 -2.507 2.940 1.00 70.03 H new ATOM 0 HB ILE A 106 -10.317 -2.062 1.100 1.00 71.11 H new ATOM 0 HG12 ILE A 106 -10.589 -4.239 -0.078 1.00 23.12 H new ATOM 0 HG13 ILE A 106 -8.944 -3.638 -0.026 1.00 23.12 H new ATOM 0 HG21 ILE A 106 -8.125 -2.564 2.162 1.00 61.21 H new ATOM 0 HG22 ILE A 106 -9.331 -2.011 3.349 1.00 61.21 H new ATOM 0 HG23 ILE A 106 -8.928 -3.741 3.228 1.00 61.21 H new ATOM 0 HD11 ILE A 106 -9.009 -6.052 0.358 1.00 51.24 H new ATOM 0 HD12 ILE A 106 -8.415 -5.206 1.807 1.00 51.24 H new ATOM 0 HD13 ILE A 106 -10.086 -5.816 1.755 1.00 51.24 H new ATOM 1632 N SER A 107 -13.277 -2.597 0.870 1.00 63.41 N ATOM 1633 CA SER A 107 -14.267 -2.715 -0.188 1.00 22.05 C ATOM 1634 C SER A 107 -13.584 -2.728 -1.548 1.00 14.43 C ATOM 1635 O SER A 107 -13.092 -1.700 -2.008 1.00 34.11 O ATOM 1636 CB SER A 107 -15.262 -1.553 -0.133 1.00 51.11 C ATOM 1637 OG SER A 107 -15.922 -1.497 1.115 1.00 3.25 O ATOM 0 H SER A 107 -13.189 -1.660 1.263 1.00 63.41 H new ATOM 0 HA SER A 107 -14.807 -3.651 -0.042 1.00 22.05 H new ATOM 0 HB2 SER A 107 -14.737 -0.614 -0.311 1.00 51.11 H new ATOM 0 HB3 SER A 107 -15.997 -1.664 -0.930 1.00 51.11 H new ATOM 0 HG SER A 107 -15.376 -1.946 1.794 1.00 3.25 H new ATOM 1643 N ILE A 108 -13.541 -3.887 -2.182 1.00 20.45 N ATOM 1644 CA ILE A 108 -12.930 -3.994 -3.494 1.00 65.24 C ATOM 1645 C ILE A 108 -13.897 -3.521 -4.570 1.00 75.54 C ATOM 1646 O ILE A 108 -15.109 -3.712 -4.460 1.00 44.24 O ATOM 1647 CB ILE A 108 -12.429 -5.431 -3.795 1.00 44.54 C ATOM 1648 CG1 ILE A 108 -13.541 -6.475 -3.607 1.00 73.32 C ATOM 1649 CG2 ILE A 108 -11.233 -5.765 -2.917 1.00 62.30 C ATOM 1650 CD1 ILE A 108 -14.350 -6.751 -4.861 1.00 14.14 C ATOM 0 H ILE A 108 -13.918 -4.760 -1.813 1.00 20.45 H new ATOM 0 HA ILE A 108 -12.053 -3.346 -3.498 1.00 65.24 H new ATOM 0 HB ILE A 108 -12.125 -5.463 -4.841 1.00 44.54 H new ATOM 0 HG12 ILE A 108 -13.094 -7.408 -3.263 1.00 73.32 H new ATOM 0 HG13 ILE A 108 -14.215 -6.135 -2.820 1.00 73.32 H new ATOM 0 HG21 ILE A 108 -10.891 -6.776 -3.138 1.00 62.30 H new ATOM 0 HG22 ILE A 108 -10.428 -5.058 -3.115 1.00 62.30 H new ATOM 0 HG23 ILE A 108 -11.522 -5.701 -1.868 1.00 62.30 H new ATOM 0 HD11 ILE A 108 -15.113 -7.498 -4.644 1.00 14.14 H new ATOM 0 HD12 ILE A 108 -14.828 -5.830 -5.196 1.00 14.14 H new ATOM 0 HD13 ILE A 108 -13.690 -7.123 -5.645 1.00 14.14 H new ATOM 1662 N ALA A 109 -13.361 -2.874 -5.592 1.00 13.11 N ATOM 1663 CA ALA A 109 -14.175 -2.362 -6.685 1.00 21.23 C ATOM 1664 C ALA A 109 -13.471 -2.571 -8.004 1.00 32.35 C ATOM 1665 O ALA A 109 -14.060 -3.041 -8.980 1.00 13.41 O ATOM 1666 CB ALA A 109 -14.494 -0.888 -6.469 1.00 40.43 C ATOM 0 H ALA A 109 -12.362 -2.690 -5.689 1.00 13.11 H new ATOM 0 HA ALA A 109 -15.116 -2.912 -6.707 1.00 21.23 H new ATOM 0 HB1 ALA A 109 -15.103 -0.523 -7.296 1.00 40.43 H new ATOM 0 HB2 ALA A 109 -15.041 -0.767 -5.534 1.00 40.43 H new ATOM 0 HB3 ALA A 109 -13.566 -0.318 -6.422 1.00 40.43 H new ATOM 1672 N ASP A 110 -12.206 -2.225 -7.985 1.00 12.34 N ATOM 1673 CA ASP A 110 -11.294 -2.375 -9.120 1.00 12.22 C ATOM 1674 C ASP A 110 -11.615 -1.401 -10.244 1.00 42.33 C ATOM 1675 O ASP A 110 -12.759 -1.269 -10.678 1.00 35.23 O ATOM 1676 CB ASP A 110 -11.291 -3.807 -9.651 1.00 53.01 C ATOM 1677 CG ASP A 110 -10.297 -3.994 -10.775 1.00 13.44 C ATOM 1678 OD1 ASP A 110 -9.081 -3.847 -10.523 1.00 50.23 O ATOM 1679 OD2 ASP A 110 -10.720 -4.301 -11.908 1.00 22.23 O ATOM 0 H ASP A 110 -11.760 -1.819 -7.163 1.00 12.34 H new ATOM 0 HA ASP A 110 -10.297 -2.141 -8.747 1.00 12.22 H new ATOM 0 HB2 ASP A 110 -11.053 -4.494 -8.839 1.00 53.01 H new ATOM 0 HB3 ASP A 110 -12.290 -4.065 -10.004 1.00 53.01 H new ATOM 1684 N SER A 111 -10.592 -0.715 -10.706 1.00 55.33 N ATOM 1685 CA SER A 111 -10.737 0.228 -11.796 1.00 14.31 C ATOM 1686 C SER A 111 -10.239 -0.396 -13.094 1.00 52.13 C ATOM 1687 O SER A 111 -11.017 -0.966 -13.860 1.00 3.13 O ATOM 1688 CB SER A 111 -9.972 1.514 -11.484 1.00 64.33 C ATOM 1689 OG SER A 111 -10.415 2.078 -10.261 1.00 34.21 O ATOM 0 H SER A 111 -9.643 -0.793 -10.341 1.00 55.33 H new ATOM 0 HA SER A 111 -11.791 0.477 -11.915 1.00 14.31 H new ATOM 0 HB2 SER A 111 -8.904 1.303 -11.427 1.00 64.33 H new ATOM 0 HB3 SER A 111 -10.112 2.231 -12.293 1.00 64.33 H new ATOM 0 HG SER A 111 -9.912 2.899 -10.078 1.00 34.21 H new ATOM 1695 N ASP A 112 -8.936 -0.316 -13.322 1.00 53.31 N ATOM 1696 CA ASP A 112 -8.337 -0.902 -14.506 1.00 44.51 C ATOM 1697 C ASP A 112 -6.941 -1.414 -14.205 1.00 64.34 C ATOM 1698 O ASP A 112 -6.001 -0.634 -14.053 1.00 73.24 O ATOM 1699 CB ASP A 112 -8.285 0.118 -15.642 1.00 15.13 C ATOM 1700 CG ASP A 112 -7.608 -0.438 -16.875 1.00 51.13 C ATOM 1701 OD1 ASP A 112 -8.161 -1.374 -17.491 1.00 73.41 O ATOM 1702 OD2 ASP A 112 -6.519 0.060 -17.235 1.00 62.45 O ATOM 0 H ASP A 112 -8.275 0.150 -12.700 1.00 53.31 H new ATOM 0 HA ASP A 112 -8.957 -1.743 -14.816 1.00 44.51 H new ATOM 0 HB2 ASP A 112 -9.298 0.430 -15.895 1.00 15.13 H new ATOM 0 HB3 ASP A 112 -7.752 1.007 -15.306 1.00 15.13 H new ATOM 1707 N VAL A 113 -6.822 -2.725 -14.086 1.00 65.43 N ATOM 1708 CA VAL A 113 -5.535 -3.365 -13.860 1.00 34.40 C ATOM 1709 C VAL A 113 -5.162 -4.200 -15.078 1.00 24.43 C ATOM 1710 O VAL A 113 -6.032 -4.799 -15.712 1.00 5.43 O ATOM 1711 CB VAL A 113 -5.564 -4.259 -12.594 1.00 72.25 C ATOM 1712 CG1 VAL A 113 -4.232 -4.964 -12.379 1.00 54.03 C ATOM 1713 CG2 VAL A 113 -5.924 -3.434 -11.369 1.00 3.12 C ATOM 0 H VAL A 113 -7.608 -3.373 -14.143 1.00 65.43 H new ATOM 0 HA VAL A 113 -4.788 -2.587 -13.703 1.00 34.40 H new ATOM 0 HB VAL A 113 -6.328 -5.022 -12.746 1.00 72.25 H new ATOM 0 HG11 VAL A 113 -4.288 -5.582 -11.483 1.00 54.03 H new ATOM 0 HG12 VAL A 113 -4.010 -5.593 -13.241 1.00 54.03 H new ATOM 0 HG13 VAL A 113 -3.443 -4.222 -12.259 1.00 54.03 H new ATOM 0 HG21 VAL A 113 -5.940 -4.077 -10.489 1.00 3.12 H new ATOM 0 HG22 VAL A 113 -5.183 -2.647 -11.230 1.00 3.12 H new ATOM 0 HG23 VAL A 113 -6.908 -2.986 -11.509 1.00 3.12 H new ATOM 1723 N ALA A 114 -3.880 -4.219 -15.420 1.00 11.20 N ATOM 1724 CA ALA A 114 -3.417 -4.967 -16.578 1.00 54.35 C ATOM 1725 C ALA A 114 -3.457 -6.463 -16.294 1.00 62.20 C ATOM 1726 O ALA A 114 -2.824 -6.945 -15.351 1.00 30.41 O ATOM 1727 CB ALA A 114 -2.013 -4.531 -16.972 1.00 4.24 C ATOM 0 H ALA A 114 -3.145 -3.726 -14.913 1.00 11.20 H new ATOM 0 HA ALA A 114 -4.084 -4.758 -17.414 1.00 54.35 H new ATOM 0 HB1 ALA A 114 -1.685 -5.102 -17.840 1.00 4.24 H new ATOM 0 HB2 ALA A 114 -2.017 -3.469 -17.217 1.00 4.24 H new ATOM 0 HB3 ALA A 114 -1.330 -4.709 -16.141 1.00 4.24 H new ATOM 1733 N VAL A 115 -4.214 -7.188 -17.103 1.00 13.50 N ATOM 1734 CA VAL A 115 -4.367 -8.621 -16.924 1.00 42.42 C ATOM 1735 C VAL A 115 -3.197 -9.359 -17.566 1.00 13.21 C ATOM 1736 O VAL A 115 -2.746 -8.996 -18.655 1.00 1.01 O ATOM 1737 CB VAL A 115 -5.696 -9.127 -17.530 1.00 31.12 C ATOM 1738 CG1 VAL A 115 -5.900 -10.606 -17.239 1.00 13.23 C ATOM 1739 CG2 VAL A 115 -6.868 -8.311 -17.009 1.00 54.41 C ATOM 0 H VAL A 115 -4.733 -6.804 -17.893 1.00 13.50 H new ATOM 0 HA VAL A 115 -4.382 -8.822 -15.853 1.00 42.42 H new ATOM 0 HB VAL A 115 -5.643 -9.001 -18.611 1.00 31.12 H new ATOM 0 HG11 VAL A 115 -6.842 -10.936 -17.676 1.00 13.23 H new ATOM 0 HG12 VAL A 115 -5.079 -11.178 -17.671 1.00 13.23 H new ATOM 0 HG13 VAL A 115 -5.925 -10.765 -16.161 1.00 13.23 H new ATOM 0 HG21 VAL A 115 -7.794 -8.683 -17.448 1.00 54.41 H new ATOM 0 HG22 VAL A 115 -6.919 -8.400 -15.924 1.00 54.41 H new ATOM 0 HG23 VAL A 115 -6.732 -7.264 -17.282 1.00 54.41 H new ATOM 1749 N ASP A 116 -2.704 -10.379 -16.879 1.00 74.21 N ATOM 1750 CA ASP A 116 -1.586 -11.177 -17.371 1.00 22.10 C ATOM 1751 C ASP A 116 -1.984 -11.969 -18.605 1.00 21.33 C ATOM 1752 O ASP A 116 -3.169 -12.087 -18.931 1.00 62.22 O ATOM 1753 CB ASP A 116 -1.093 -12.142 -16.291 1.00 23.00 C ATOM 1754 CG ASP A 116 -0.589 -11.426 -15.058 1.00 35.43 C ATOM 1755 OD1 ASP A 116 0.597 -11.045 -15.034 1.00 0.30 O ATOM 1756 OD2 ASP A 116 -1.381 -11.247 -14.110 1.00 32.04 O ATOM 0 H ASP A 116 -3.063 -10.677 -15.972 1.00 74.21 H new ATOM 0 HA ASP A 116 -0.783 -10.489 -17.634 1.00 22.10 H new ATOM 0 HB2 ASP A 116 -1.905 -12.813 -16.011 1.00 23.00 H new ATOM 0 HB3 ASP A 116 -0.294 -12.761 -16.699 1.00 23.00 H new ATOM 1761 N ASN A 117 -0.990 -12.524 -19.279 1.00 64.24 N ATOM 1762 CA ASN A 117 -1.221 -13.313 -20.477 1.00 33.43 C ATOM 1763 C ASN A 117 -0.668 -14.717 -20.293 1.00 44.52 C ATOM 1764 O ASN A 117 0.484 -14.989 -20.629 1.00 62.34 O ATOM 1765 CB ASN A 117 -0.577 -12.657 -21.705 1.00 63.14 C ATOM 1766 CG ASN A 117 -1.222 -11.338 -22.079 1.00 3.44 C ATOM 1767 OD1 ASN A 117 -2.170 -11.302 -22.864 1.00 43.35 O ATOM 1768 ND2 ASN A 117 -0.707 -10.246 -21.533 1.00 54.22 N ATOM 0 H ASN A 117 -0.009 -12.441 -19.014 1.00 64.24 H new ATOM 0 HA ASN A 117 -2.297 -13.367 -20.643 1.00 33.43 H new ATOM 0 HB2 ASN A 117 0.483 -12.494 -21.509 1.00 63.14 H new ATOM 0 HB3 ASN A 117 -0.643 -13.340 -22.552 1.00 63.14 H new ATOM 0 HD21 ASN A 117 -1.096 -9.331 -21.759 1.00 54.22 H new ATOM 0 HD22 ASN A 117 0.079 -10.321 -20.887 1.00 54.22 H new ATOM 1775 N SER A 118 -1.487 -15.602 -19.744 1.00 20.54 N ATOM 1776 CA SER A 118 -1.085 -16.980 -19.518 1.00 13.31 C ATOM 1777 C SER A 118 -1.192 -17.762 -20.824 1.00 15.00 C ATOM 1778 O SER A 118 -2.003 -18.680 -20.958 1.00 70.13 O ATOM 1779 CB SER A 118 -1.957 -17.615 -18.427 1.00 71.32 C ATOM 1780 OG SER A 118 -1.358 -18.785 -17.892 1.00 2.42 O ATOM 0 H SER A 118 -2.439 -15.387 -19.446 1.00 20.54 H new ATOM 0 HA SER A 118 -0.050 -17.005 -19.178 1.00 13.31 H new ATOM 0 HB2 SER A 118 -2.123 -16.893 -17.628 1.00 71.32 H new ATOM 0 HB3 SER A 118 -2.934 -17.863 -18.841 1.00 71.32 H new ATOM 0 HG SER A 118 -1.939 -19.163 -17.199 1.00 2.42 H new ATOM 1786 N GLN A 119 -0.382 -17.362 -21.794 1.00 3.12 N ATOM 1787 CA GLN A 119 -0.387 -17.977 -23.112 1.00 63.14 C ATOM 1788 C GLN A 119 0.008 -19.447 -23.031 1.00 61.12 C ATOM 1789 O GLN A 119 1.002 -19.798 -22.391 1.00 21.54 O ATOM 1790 CB GLN A 119 0.564 -17.231 -24.049 1.00 33.11 C ATOM 1791 CG GLN A 119 0.088 -15.837 -24.424 1.00 43.41 C ATOM 1792 CD GLN A 119 -1.226 -15.857 -25.180 1.00 0.21 C ATOM 1793 OE1 GLN A 119 -1.536 -16.816 -25.887 1.00 53.04 O ATOM 1794 NE2 GLN A 119 -2.003 -14.796 -25.045 1.00 51.21 N ATOM 0 H GLN A 119 0.294 -16.605 -21.690 1.00 3.12 H new ATOM 0 HA GLN A 119 -1.400 -17.915 -23.509 1.00 63.14 H new ATOM 0 HB2 GLN A 119 1.542 -17.155 -23.574 1.00 33.11 H new ATOM 0 HB3 GLN A 119 0.696 -17.817 -24.959 1.00 33.11 H new ATOM 0 HG2 GLN A 119 -0.026 -15.240 -23.519 1.00 43.41 H new ATOM 0 HG3 GLN A 119 0.848 -15.349 -25.035 1.00 43.41 H new ATOM 0 HE21 GLN A 119 -1.710 -14.022 -24.449 1.00 51.21 H new ATOM 0 HE22 GLN A 119 -2.896 -14.752 -25.536 1.00 51.21 H new ATOM 1803 N PRO A 120 -0.776 -20.322 -23.675 1.00 53.13 N ATOM 1804 CA PRO A 120 -0.506 -21.761 -23.700 1.00 53.43 C ATOM 1805 C PRO A 120 0.624 -22.120 -24.662 1.00 52.12 C ATOM 1806 O PRO A 120 1.263 -21.239 -25.246 1.00 61.21 O ATOM 1807 CB PRO A 120 -1.831 -22.352 -24.179 1.00 32.13 C ATOM 1808 CG PRO A 120 -2.432 -21.288 -25.028 1.00 32.23 C ATOM 1809 CD PRO A 120 -1.998 -19.976 -24.427 1.00 23.50 C ATOM 0 HA PRO A 120 -0.180 -22.138 -22.731 1.00 53.43 H new ATOM 0 HB2 PRO A 120 -1.674 -23.270 -24.746 1.00 32.13 H new ATOM 0 HB3 PRO A 120 -2.480 -22.603 -23.340 1.00 32.13 H new ATOM 0 HG2 PRO A 120 -2.092 -21.375 -26.060 1.00 32.23 H new ATOM 0 HG3 PRO A 120 -3.519 -21.369 -25.043 1.00 32.23 H new ATOM 0 HD2 PRO A 120 -1.797 -19.230 -25.196 1.00 23.50 H new ATOM 0 HD3 PRO A 120 -2.766 -19.561 -23.774 1.00 23.50 H new ATOM 1817 N LEU A 121 0.866 -23.416 -24.821 1.00 64.23 N ATOM 1818 CA LEU A 121 1.915 -23.898 -25.707 1.00 72.42 C ATOM 1819 C LEU A 121 1.602 -23.560 -27.161 1.00 14.32 C ATOM 1820 O LEU A 121 0.557 -23.946 -27.690 1.00 1.11 O ATOM 1821 CB LEU A 121 2.096 -25.412 -25.552 1.00 33.45 C ATOM 1822 CG LEU A 121 2.624 -25.871 -24.192 1.00 60.45 C ATOM 1823 CD1 LEU A 121 2.705 -27.390 -24.140 1.00 13.51 C ATOM 1824 CD2 LEU A 121 3.987 -25.251 -23.917 1.00 34.11 C ATOM 0 H LEU A 121 0.347 -24.154 -24.345 1.00 64.23 H new ATOM 0 HA LEU A 121 2.843 -23.399 -25.428 1.00 72.42 H new ATOM 0 HB2 LEU A 121 1.137 -25.896 -25.733 1.00 33.45 H new ATOM 0 HB3 LEU A 121 2.780 -25.761 -26.326 1.00 33.45 H new ATOM 0 HG LEU A 121 1.932 -25.538 -23.418 1.00 60.45 H new ATOM 0 HD11 LEU A 121 3.082 -27.701 -23.166 1.00 13.51 H new ATOM 0 HD12 LEU A 121 1.713 -27.813 -24.297 1.00 13.51 H new ATOM 0 HD13 LEU A 121 3.378 -27.745 -24.920 1.00 13.51 H new ATOM 0 HD21 LEU A 121 4.350 -25.587 -22.946 1.00 34.11 H new ATOM 0 HD22 LEU A 121 4.689 -25.557 -24.693 1.00 34.11 H new ATOM 0 HD23 LEU A 121 3.899 -24.165 -23.916 1.00 34.11 H new ATOM 1836 N PRO A 122 2.513 -22.834 -27.827 1.00 33.33 N ATOM 1837 CA PRO A 122 2.381 -22.474 -29.238 1.00 34.32 C ATOM 1838 C PRO A 122 2.768 -23.633 -30.151 1.00 51.43 C ATOM 1839 O PRO A 122 3.441 -23.443 -31.164 1.00 70.23 O ATOM 1840 CB PRO A 122 3.366 -21.303 -29.414 1.00 31.24 C ATOM 1841 CG PRO A 122 3.956 -21.044 -28.063 1.00 72.31 C ATOM 1842 CD PRO A 122 3.748 -22.294 -27.259 1.00 61.43 C ATOM 0 HA PRO A 122 1.355 -22.218 -29.501 1.00 34.32 H new ATOM 0 HB2 PRO A 122 4.143 -21.554 -30.136 1.00 31.24 H new ATOM 0 HB3 PRO A 122 2.854 -20.418 -29.791 1.00 31.24 H new ATOM 0 HG2 PRO A 122 5.017 -20.806 -28.142 1.00 72.31 H new ATOM 0 HG3 PRO A 122 3.473 -20.191 -27.586 1.00 72.31 H new ATOM 0 HD2 PRO A 122 4.581 -22.988 -27.366 1.00 61.43 H new ATOM 0 HD3 PRO A 122 3.646 -22.080 -26.195 1.00 61.43 H new ATOM 1850 N LEU A 123 2.322 -24.829 -29.786 1.00 1.30 N ATOM 1851 CA LEU A 123 2.622 -26.037 -30.539 1.00 24.02 C ATOM 1852 C LEU A 123 2.108 -25.941 -31.976 1.00 13.00 C ATOM 1853 O LEU A 123 1.279 -25.079 -32.292 1.00 11.42 O ATOM 1854 CB LEU A 123 2.034 -27.264 -29.821 1.00 33.25 C ATOM 1855 CG LEU A 123 0.611 -27.102 -29.258 1.00 21.14 C ATOM 1856 CD1 LEU A 123 -0.431 -27.134 -30.369 1.00 2.14 C ATOM 1857 CD2 LEU A 123 0.325 -28.184 -28.229 1.00 64.41 C ATOM 0 H LEU A 123 1.743 -24.987 -28.961 1.00 1.30 H new ATOM 0 HA LEU A 123 3.705 -26.149 -30.591 1.00 24.02 H new ATOM 0 HB2 LEU A 123 2.034 -28.102 -30.518 1.00 33.25 H new ATOM 0 HB3 LEU A 123 2.699 -27.533 -29.000 1.00 33.25 H new ATOM 0 HG LEU A 123 0.550 -26.128 -28.772 1.00 21.14 H new ATOM 0 HD11 LEU A 123 -1.426 -27.017 -29.939 1.00 2.14 H new ATOM 0 HD12 LEU A 123 -0.241 -26.321 -31.070 1.00 2.14 H new ATOM 0 HD13 LEU A 123 -0.373 -28.087 -30.895 1.00 2.14 H new ATOM 0 HD21 LEU A 123 -0.685 -28.057 -27.839 1.00 64.41 H new ATOM 0 HD22 LEU A 123 0.413 -29.164 -28.698 1.00 64.41 H new ATOM 0 HD23 LEU A 123 1.042 -28.107 -27.412 1.00 64.41 H new ATOM 1869 N GLU A 124 2.594 -26.842 -32.827 1.00 62.42 N ATOM 1870 CA GLU A 124 2.283 -26.821 -34.253 1.00 71.34 C ATOM 1871 C GLU A 124 0.784 -26.787 -34.502 1.00 13.12 C ATOM 1872 O GLU A 124 0.037 -27.651 -34.032 1.00 41.44 O ATOM 1873 CB GLU A 124 2.879 -28.041 -34.950 1.00 42.11 C ATOM 1874 CG GLU A 124 4.384 -28.158 -34.809 1.00 51.32 C ATOM 1875 CD GLU A 124 4.942 -29.308 -35.617 1.00 63.44 C ATOM 1876 OE1 GLU A 124 4.981 -30.446 -35.096 1.00 73.45 O ATOM 1877 OE2 GLU A 124 5.335 -29.083 -36.780 1.00 22.30 O ATOM 0 H GLU A 124 3.212 -27.604 -32.548 1.00 62.42 H new ATOM 0 HA GLU A 124 2.723 -25.912 -34.663 1.00 71.34 H new ATOM 0 HB2 GLU A 124 2.415 -28.941 -34.545 1.00 42.11 H new ATOM 0 HB3 GLU A 124 2.626 -28.001 -36.009 1.00 42.11 H new ATOM 0 HG2 GLU A 124 4.852 -27.228 -35.132 1.00 51.32 H new ATOM 0 HG3 GLU A 124 4.640 -28.295 -33.758 1.00 51.32 H new ATOM 1884 N HIS A 125 0.361 -25.764 -35.221 1.00 15.52 N ATOM 1885 CA HIS A 125 -1.021 -25.615 -35.638 1.00 51.13 C ATOM 1886 C HIS A 125 -1.084 -24.558 -36.726 1.00 13.21 C ATOM 1887 O HIS A 125 -0.660 -23.422 -36.512 1.00 15.31 O ATOM 1888 CB HIS A 125 -1.916 -25.227 -34.457 1.00 22.45 C ATOM 1889 CG HIS A 125 -3.074 -26.158 -34.264 1.00 74.11 C ATOM 1890 ND1 HIS A 125 -2.961 -27.378 -33.633 1.00 1.24 N ATOM 1891 CD2 HIS A 125 -4.372 -26.047 -34.631 1.00 25.31 C ATOM 1892 CE1 HIS A 125 -4.137 -27.975 -33.622 1.00 34.15 C ATOM 1893 NE2 HIS A 125 -5.013 -27.190 -34.221 1.00 51.54 N ATOM 0 H HIS A 125 0.970 -25.008 -35.534 1.00 15.52 H new ATOM 0 HA HIS A 125 -1.388 -26.567 -36.022 1.00 51.13 H new ATOM 0 HB2 HIS A 125 -1.317 -25.208 -33.546 1.00 22.45 H new ATOM 0 HB3 HIS A 125 -2.293 -24.216 -34.612 1.00 22.45 H new ATOM 0 HD1 HIS A 125 -2.102 -27.760 -33.236 1.00 1.24 H new ATOM 0 HD2 HIS A 125 -4.821 -25.213 -35.150 1.00 25.31 H new ATOM 0 HE1 HIS A 125 -4.348 -28.944 -33.194 1.00 34.15 H new ATOM 1902 N HIS A 126 -1.583 -24.935 -37.894 1.00 31.41 N ATOM 1903 CA HIS A 126 -1.552 -24.043 -39.046 1.00 33.51 C ATOM 1904 C HIS A 126 -2.467 -22.839 -38.851 1.00 43.21 C ATOM 1905 O HIS A 126 -3.561 -22.948 -38.289 1.00 53.34 O ATOM 1906 CB HIS A 126 -1.894 -24.784 -40.351 1.00 4.11 C ATOM 1907 CG HIS A 126 -3.305 -25.290 -40.457 1.00 35.35 C ATOM 1908 ND1 HIS A 126 -3.653 -26.596 -40.204 1.00 54.22 N ATOM 1909 CD2 HIS A 126 -4.449 -24.665 -40.832 1.00 34.21 C ATOM 1910 CE1 HIS A 126 -4.946 -26.754 -40.418 1.00 43.12 C ATOM 1911 NE2 HIS A 126 -5.453 -25.597 -40.801 1.00 4.21 N ATOM 0 H HIS A 126 -2.011 -25.844 -38.070 1.00 31.41 H new ATOM 0 HA HIS A 126 -0.530 -23.675 -39.131 1.00 33.51 H new ATOM 0 HB2 HIS A 126 -1.703 -24.114 -41.189 1.00 4.11 H new ATOM 0 HB3 HIS A 126 -1.214 -25.630 -40.457 1.00 4.11 H new ATOM 0 HD2 HIS A 126 -4.550 -23.625 -41.105 1.00 34.21 H new ATOM 0 HE1 HIS A 126 -5.497 -27.675 -40.300 1.00 43.12 H new ATOM 0 HE2 HIS A 126 -6.431 -25.425 -41.035 1.00 4.21 H new ATOM 1920 N HIS A 127 -1.990 -21.695 -39.305 1.00 74.43 N ATOM 1921 CA HIS A 127 -2.728 -20.444 -39.233 1.00 13.42 C ATOM 1922 C HIS A 127 -2.093 -19.453 -40.197 1.00 14.31 C ATOM 1923 O HIS A 127 -0.873 -19.299 -40.205 1.00 21.40 O ATOM 1924 CB HIS A 127 -2.703 -19.882 -37.803 1.00 52.22 C ATOM 1925 CG HIS A 127 -3.583 -18.685 -37.599 1.00 44.01 C ATOM 1926 ND1 HIS A 127 -3.109 -17.388 -37.589 1.00 73.44 N ATOM 1927 CD2 HIS A 127 -4.917 -18.594 -37.384 1.00 14.23 C ATOM 1928 CE1 HIS A 127 -4.111 -16.557 -37.376 1.00 32.41 C ATOM 1929 NE2 HIS A 127 -5.217 -17.262 -37.249 1.00 64.41 N ATOM 0 H HIS A 127 -1.071 -21.605 -39.738 1.00 74.43 H new ATOM 0 HA HIS A 127 -3.769 -20.617 -39.507 1.00 13.42 H new ATOM 0 HB2 HIS A 127 -3.009 -20.666 -37.111 1.00 52.22 H new ATOM 0 HB3 HIS A 127 -1.678 -19.613 -37.548 1.00 52.22 H new ATOM 0 HD2 HIS A 127 -5.615 -19.417 -37.329 1.00 14.23 H new ATOM 0 HE1 HIS A 127 -4.037 -15.481 -37.316 1.00 32.41 H new ATOM 0 HE2 HIS A 127 -6.147 -16.879 -37.078 1.00 64.41 H new ATOM 1938 N HIS A 128 -2.905 -18.805 -41.023 1.00 73.42 N ATOM 1939 CA HIS A 128 -2.379 -17.873 -42.014 1.00 52.51 C ATOM 1940 C HIS A 128 -1.691 -16.701 -41.319 1.00 72.13 C ATOM 1941 O HIS A 128 -2.165 -16.213 -40.289 1.00 54.44 O ATOM 1942 CB HIS A 128 -3.486 -17.374 -42.965 1.00 53.51 C ATOM 1943 CG HIS A 128 -4.315 -16.235 -42.437 1.00 34.13 C ATOM 1944 ND1 HIS A 128 -4.021 -14.909 -42.689 1.00 43.04 N ATOM 1945 CD2 HIS A 128 -5.439 -16.229 -41.683 1.00 65.14 C ATOM 1946 CE1 HIS A 128 -4.927 -14.142 -42.112 1.00 51.12 C ATOM 1947 NE2 HIS A 128 -5.797 -14.918 -41.497 1.00 22.33 N ATOM 0 H HIS A 128 -3.920 -18.905 -41.028 1.00 73.42 H new ATOM 0 HA HIS A 128 -1.644 -18.403 -42.621 1.00 52.51 H new ATOM 0 HB2 HIS A 128 -3.025 -17.063 -43.903 1.00 53.51 H new ATOM 0 HB3 HIS A 128 -4.148 -18.208 -43.196 1.00 53.51 H new ATOM 0 HD1 HIS A 128 -3.227 -14.575 -43.236 1.00 43.04 H new ATOM 0 HD2 HIS A 128 -5.957 -17.095 -41.299 1.00 65.14 H new ATOM 0 HE1 HIS A 128 -4.951 -13.063 -42.139 1.00 51.12 H new ATOM 1956 N HIS A 129 -0.575 -16.264 -41.874 1.00 73.02 N ATOM 1957 CA HIS A 129 0.181 -15.168 -41.292 1.00 13.45 C ATOM 1958 C HIS A 129 -0.277 -13.843 -41.888 1.00 34.15 C ATOM 1959 O HIS A 129 -1.252 -13.801 -42.643 1.00 35.21 O ATOM 1960 CB HIS A 129 1.685 -15.370 -41.514 1.00 30.44 C ATOM 1961 CG HIS A 129 2.227 -16.593 -40.839 1.00 1.40 C ATOM 1962 ND1 HIS A 129 3.160 -17.428 -41.420 1.00 3.41 N ATOM 1963 CD2 HIS A 129 1.968 -17.117 -39.619 1.00 63.55 C ATOM 1964 CE1 HIS A 129 3.446 -18.409 -40.587 1.00 31.03 C ATOM 1965 NE2 HIS A 129 2.738 -18.244 -39.489 1.00 74.53 N ATOM 0 H HIS A 129 -0.171 -16.651 -42.727 1.00 73.02 H new ATOM 0 HA HIS A 129 -0.002 -15.149 -40.218 1.00 13.45 H new ATOM 0 HB2 HIS A 129 1.881 -15.438 -42.584 1.00 30.44 H new ATOM 0 HB3 HIS A 129 2.220 -14.494 -41.147 1.00 30.44 H new ATOM 0 HD2 HIS A 129 1.282 -16.721 -38.884 1.00 63.55 H new ATOM 0 HE1 HIS A 129 4.143 -19.212 -40.774 1.00 31.03 H new ATOM 0 HE2 HIS A 129 2.759 -18.856 -38.673 1.00 74.53 H new ATOM 1974 N HIS A 130 0.412 -12.767 -41.537 1.00 73.34 N ATOM 1975 CA HIS A 130 0.070 -11.447 -42.048 1.00 20.21 C ATOM 1976 C HIS A 130 0.570 -11.294 -43.480 1.00 25.10 C ATOM 1977 O HIS A 130 1.761 -11.571 -43.724 1.00 37.38 O ATOM 1978 CB HIS A 130 0.633 -10.330 -41.149 1.00 61.14 C ATOM 1979 CG HIS A 130 2.131 -10.278 -41.067 1.00 22.42 C ATOM 1980 ND1 HIS A 130 2.890 -9.405 -41.813 1.00 35.32 N ATOM 1981 CD2 HIS A 130 3.009 -10.987 -40.317 1.00 3.45 C ATOM 1982 CE1 HIS A 130 4.166 -9.579 -41.530 1.00 11.22 C ATOM 1983 NE2 HIS A 130 4.268 -10.531 -40.624 1.00 11.31 N ATOM 1984 OXT HIS A 130 -0.228 -10.895 -44.350 1.00 37.38 O ATOM 0 H HIS A 130 1.210 -12.781 -40.902 1.00 73.34 H new ATOM 0 HA HIS A 130 -1.016 -11.352 -42.042 1.00 20.21 H new ATOM 0 HB2 HIS A 130 0.271 -9.370 -41.517 1.00 61.14 H new ATOM 0 HB3 HIS A 130 0.233 -10.457 -40.143 1.00 61.14 H new ATOM 0 HD2 HIS A 130 2.765 -11.766 -39.610 1.00 3.45 H new ATOM 0 HE1 HIS A 130 4.989 -9.033 -41.967 1.00 11.22 H new ATOM 0 HE2 HIS A 130 5.139 -10.873 -40.218 1.00 11.31 H new TER 1993 HIS A 130