USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1001 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 105 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 106 HIS : no HD1:sc= 0 X(o=0,f=0.021) USER MOD Set 2.1: A 74 HIS : no HD1:sc= -2.33! K(o=-2!,f=-3.2) USER MOD Set 2.2: A 104 HIS : no HD1:sc= 0.367 K(o=-2,f=-7!) USER MOD Set 3.1: A 99 HIS : no HE2:sc= -0.164 K(o=0.9,f=-1.1) USER MOD Set 3.2: A 115 TYR OH : rot -20:sc= 1.06 USER MOD Set 4.1: A 75 ASN : amide:sc= -0.232 X(o=-0.3,f=-0.79) USER MOD Set 4.2: A 93 GLN :FLIP amide:sc= -0.0711 F(o=-3.2!,f=-0.3) USER MOD Set 5.1: A 64 TYR OH : rot 27:sc= 0.542 USER MOD Set 5.2: A 84 HIS : no HD1:sc= -1.78 K(o=-1.2,f=-4.5!) USER MOD Single : A 10 SER OG : rot -130:sc= 0.391 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.318 K(o=0.32,f=-6.3!) USER MOD Single : A 22 TYR OH : rot -146:sc= 0.605 USER MOD Single : A 24 GLN : amide:sc= -1.49! C(o=-1.5!,f=-2!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 30 TYR OH : rot 30:sc= -0.35 USER MOD Single : A 32 MET CE :methyl -162:sc= -0.0291 (180deg=-0.306) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -18:sc= 0.865 USER MOD Single : A 50 SER OG : rot 109:sc= 0.0294 USER MOD Single : A 61 SER OG : rot 50:sc= -0.562 USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00474) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.358 F(o=-2.4!,f=-0.36) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0217 K(o=-0.022,f=-1.7) USER MOD Single : A 81 ASN : amide:sc= -0.428 K(o=-0.43,f=-0.96) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 70:sc= 0.372 USER MOD Single : A 103 TYR OH : rot -49:sc= 0.958 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.0461 K(o=0.046,f=-5!) USER MOD Single : A 114 SER OG : rot 79:sc= 1.19 USER MOD Single : A 118 SER OG : rot 180:sc= -0.0831 USER MOD Single : A 121 TYR OH : rot 180:sc= -0.0838 USER MOD Single : A 122 THR OG1 : rot 76:sc= 0.279 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 10.576 -8.323 -7.805 1.00 60.23 N ATOM 21 CA PRO A 2 9.110 -8.324 -8.044 1.00 21.21 C ATOM 22 C PRO A 2 8.483 -9.745 -7.871 1.00 14.31 C ATOM 23 O PRO A 2 8.486 -10.568 -8.794 1.00 71.11 O ATOM 24 CB PRO A 2 9.000 -7.785 -9.496 1.00 20.42 C ATOM 25 CG PRO A 2 10.264 -8.247 -10.167 1.00 50.22 C ATOM 26 CD PRO A 2 11.338 -8.251 -9.088 1.00 42.32 C ATOM 0 HA PRO A 2 8.554 -7.718 -7.328 1.00 21.21 H new ATOM 0 HB2 PRO A 2 8.117 -8.179 -9.999 1.00 20.42 H new ATOM 0 HB3 PRO A 2 8.917 -6.698 -9.511 1.00 20.42 H new ATOM 0 HG2 PRO A 2 10.137 -9.242 -10.594 1.00 50.22 H new ATOM 0 HG3 PRO A 2 10.537 -7.581 -10.986 1.00 50.22 H new ATOM 0 HD2 PRO A 2 12.010 -9.102 -9.199 1.00 42.32 H new ATOM 0 HD3 PRO A 2 11.952 -7.352 -9.135 1.00 42.32 H new ATOM 34 N LEU A 3 7.973 -10.018 -6.657 1.00 3.11 N ATOM 35 CA LEU A 3 7.431 -11.345 -6.270 1.00 41.51 C ATOM 36 C LEU A 3 5.930 -11.416 -6.662 1.00 35.31 C ATOM 37 O LEU A 3 5.143 -10.587 -6.225 1.00 13.53 O ATOM 38 CB LEU A 3 7.632 -11.539 -4.723 1.00 41.34 C ATOM 39 CG LEU A 3 7.782 -13.007 -4.175 1.00 34.11 C ATOM 40 CD1 LEU A 3 7.988 -13.004 -2.643 1.00 4.43 C ATOM 41 CD2 LEU A 3 6.598 -13.921 -4.562 1.00 64.52 C ATOM 0 H LEU A 3 7.922 -9.326 -5.910 1.00 3.11 H new ATOM 0 HA LEU A 3 7.955 -12.146 -6.791 1.00 41.51 H new ATOM 0 HB2 LEU A 3 8.521 -10.981 -4.429 1.00 41.34 H new ATOM 0 HB3 LEU A 3 6.784 -11.078 -4.216 1.00 41.34 H new ATOM 0 HG LEU A 3 8.668 -13.424 -4.653 1.00 34.11 H new ATOM 0 HD11 LEU A 3 8.089 -14.029 -2.287 1.00 4.43 H new ATOM 0 HD12 LEU A 3 8.891 -12.444 -2.398 1.00 4.43 H new ATOM 0 HD13 LEU A 3 7.129 -12.536 -2.161 1.00 4.43 H new ATOM 0 HD21 LEU A 3 6.761 -14.919 -4.155 1.00 64.52 H new ATOM 0 HD22 LEU A 3 5.673 -13.510 -4.157 1.00 64.52 H new ATOM 0 HD23 LEU A 3 6.524 -13.980 -5.648 1.00 64.52 H new ATOM 53 N GLU A 4 5.529 -12.420 -7.463 1.00 5.04 N ATOM 54 CA GLU A 4 4.125 -12.531 -7.966 1.00 21.41 C ATOM 55 C GLU A 4 3.426 -13.830 -7.504 1.00 0.31 C ATOM 56 O GLU A 4 4.042 -14.904 -7.398 1.00 23.10 O ATOM 57 CB GLU A 4 4.058 -12.358 -9.528 1.00 30.44 C ATOM 58 CG GLU A 4 5.259 -12.897 -10.339 1.00 53.23 C ATOM 59 CD GLU A 4 5.524 -14.401 -10.175 1.00 33.34 C ATOM 60 OE1 GLU A 4 4.822 -15.220 -10.816 1.00 53.31 O ATOM 61 OE2 GLU A 4 6.434 -14.777 -9.400 1.00 10.35 O ATOM 0 H GLU A 4 6.145 -13.168 -7.781 1.00 5.04 H new ATOM 0 HA GLU A 4 3.568 -11.708 -7.517 1.00 21.41 H new ATOM 0 HB2 GLU A 4 3.156 -12.853 -9.887 1.00 30.44 H new ATOM 0 HB3 GLU A 4 3.948 -11.296 -9.748 1.00 30.44 H new ATOM 0 HG2 GLU A 4 5.091 -12.685 -11.395 1.00 53.23 H new ATOM 0 HG3 GLU A 4 6.154 -12.350 -10.043 1.00 53.23 H new ATOM 68 N TRP A 5 2.122 -13.698 -7.192 1.00 1.14 N ATOM 69 CA TRP A 5 1.240 -14.831 -6.878 1.00 33.32 C ATOM 70 C TRP A 5 0.400 -15.224 -8.110 1.00 12.14 C ATOM 71 O TRP A 5 -0.054 -14.367 -8.865 1.00 2.12 O ATOM 72 CB TRP A 5 0.298 -14.488 -5.693 1.00 14.41 C ATOM 73 CG TRP A 5 -0.496 -15.674 -5.201 1.00 34.11 C ATOM 74 CD1 TRP A 5 0.011 -16.799 -4.621 1.00 43.40 C ATOM 75 CD2 TRP A 5 -1.916 -15.863 -5.264 1.00 23.33 C ATOM 76 NE1 TRP A 5 -0.996 -17.678 -4.341 1.00 21.14 N ATOM 77 CE2 TRP A 5 -2.188 -17.131 -4.720 1.00 34.23 C ATOM 78 CE3 TRP A 5 -2.979 -15.091 -5.735 1.00 65.25 C ATOM 79 CZ2 TRP A 5 -3.478 -17.643 -4.626 1.00 75.32 C ATOM 80 CZ3 TRP A 5 -4.262 -15.598 -5.642 1.00 73.33 C ATOM 81 CH2 TRP A 5 -4.500 -16.867 -5.095 1.00 23.10 C ATOM 0 H TRP A 5 1.651 -12.794 -7.151 1.00 1.14 H new ATOM 0 HA TRP A 5 1.870 -15.673 -6.593 1.00 33.32 H new ATOM 0 HB2 TRP A 5 0.891 -14.089 -4.870 1.00 14.41 H new ATOM 0 HB3 TRP A 5 -0.390 -13.701 -6.001 1.00 14.41 H new ATOM 0 HD1 TRP A 5 1.057 -16.970 -4.413 1.00 43.40 H new ATOM 0 HE1 TRP A 5 -0.876 -18.598 -3.916 1.00 21.14 H new ATOM 0 HE3 TRP A 5 -2.803 -14.116 -6.164 1.00 65.25 H new ATOM 0 HZ2 TRP A 5 -3.665 -18.617 -4.198 1.00 75.32 H new ATOM 0 HZ3 TRP A 5 -5.094 -15.007 -5.996 1.00 73.33 H new ATOM 0 HH2 TRP A 5 -5.513 -17.239 -5.043 1.00 23.10 H new ATOM 92 N ARG A 6 0.195 -16.529 -8.293 1.00 33.22 N ATOM 93 CA ARG A 6 -0.675 -17.078 -9.353 1.00 10.14 C ATOM 94 C ARG A 6 -1.584 -18.187 -8.777 1.00 75.15 C ATOM 95 O ARG A 6 -1.339 -18.687 -7.672 1.00 71.44 O ATOM 96 CB ARG A 6 0.162 -17.598 -10.569 1.00 14.42 C ATOM 97 CG ARG A 6 1.309 -18.596 -10.246 1.00 70.41 C ATOM 98 CD ARG A 6 2.594 -17.921 -9.718 1.00 35.04 C ATOM 99 NE ARG A 6 3.697 -18.885 -9.544 1.00 72.31 N ATOM 100 CZ ARG A 6 4.923 -18.584 -9.163 1.00 52.50 C ATOM 101 NH1 ARG A 6 5.264 -17.370 -8.897 1.00 75.52 N ATOM 102 NH2 ARG A 6 5.809 -19.520 -9.060 1.00 52.23 N ATOM 0 H ARG A 6 0.627 -17.246 -7.710 1.00 33.22 H new ATOM 0 HA ARG A 6 -1.310 -16.274 -9.725 1.00 10.14 H new ATOM 0 HB2 ARG A 6 -0.519 -18.077 -11.272 1.00 14.42 H new ATOM 0 HB3 ARG A 6 0.593 -16.737 -11.080 1.00 14.42 H new ATOM 0 HG2 ARG A 6 0.956 -19.313 -9.505 1.00 70.41 H new ATOM 0 HG3 ARG A 6 1.550 -19.161 -11.146 1.00 70.41 H new ATOM 0 HD2 ARG A 6 2.903 -17.139 -10.411 1.00 35.04 H new ATOM 0 HD3 ARG A 6 2.383 -17.437 -8.765 1.00 35.04 H new ATOM 0 HE ARG A 6 3.494 -19.866 -9.734 1.00 72.31 H new ATOM 0 HH11 ARG A 6 4.580 -16.618 -8.979 1.00 75.52 H new ATOM 0 HH12 ARG A 6 6.218 -17.161 -8.604 1.00 75.52 H new ATOM 0 HH21 ARG A 6 5.558 -20.485 -9.273 1.00 52.23 H new ATOM 0 HH22 ARG A 6 6.759 -19.293 -8.766 1.00 52.23 H new ATOM 116 N ALA A 7 -2.637 -18.554 -9.530 1.00 12.51 N ATOM 117 CA ALA A 7 -3.581 -19.621 -9.125 1.00 52.42 C ATOM 118 C ALA A 7 -2.866 -20.993 -8.982 1.00 24.51 C ATOM 119 O ALA A 7 -2.107 -21.400 -9.868 1.00 70.04 O ATOM 120 CB ALA A 7 -4.741 -19.710 -10.134 1.00 63.13 C ATOM 0 H ALA A 7 -2.859 -18.126 -10.429 1.00 12.51 H new ATOM 0 HA ALA A 7 -3.984 -19.363 -8.146 1.00 52.42 H new ATOM 0 HB1 ALA A 7 -5.430 -20.497 -9.828 1.00 63.13 H new ATOM 0 HB2 ALA A 7 -5.270 -18.757 -10.166 1.00 63.13 H new ATOM 0 HB3 ALA A 7 -4.346 -19.939 -11.124 1.00 63.13 H new ATOM 126 N GLY A 8 -3.112 -21.689 -7.854 1.00 24.32 N ATOM 127 CA GLY A 8 -2.467 -22.985 -7.561 1.00 60.43 C ATOM 128 C GLY A 8 -1.159 -22.883 -6.752 1.00 74.23 C ATOM 129 O GLY A 8 -0.570 -23.913 -6.396 1.00 20.42 O ATOM 0 H GLY A 8 -3.755 -21.374 -7.128 1.00 24.32 H new ATOM 0 HA2 GLY A 8 -3.171 -23.610 -7.011 1.00 60.43 H new ATOM 0 HA3 GLY A 8 -2.258 -23.493 -8.503 1.00 60.43 H new ATOM 133 N ALA A 9 -0.695 -21.645 -6.478 1.00 24.43 N ATOM 134 CA ALA A 9 0.541 -21.388 -5.690 1.00 31.25 C ATOM 135 C ALA A 9 0.363 -21.742 -4.189 1.00 3.32 C ATOM 136 O ALA A 9 -0.752 -21.698 -3.651 1.00 14.43 O ATOM 137 CB ALA A 9 0.991 -19.932 -5.867 1.00 23.13 C ATOM 0 H ALA A 9 -1.161 -20.794 -6.793 1.00 24.43 H new ATOM 0 HA ALA A 9 1.321 -22.044 -6.075 1.00 31.25 H new ATOM 0 HB1 ALA A 9 1.896 -19.758 -5.285 1.00 23.13 H new ATOM 0 HB2 ALA A 9 1.194 -19.739 -6.920 1.00 23.13 H new ATOM 0 HB3 ALA A 9 0.203 -19.263 -5.521 1.00 23.13 H new ATOM 143 N SER A 10 1.487 -22.066 -3.523 1.00 74.32 N ATOM 144 CA SER A 10 1.496 -22.610 -2.138 1.00 73.31 C ATOM 145 C SER A 10 1.416 -21.498 -1.062 1.00 63.01 C ATOM 146 O SER A 10 1.623 -20.313 -1.349 1.00 33.40 O ATOM 147 CB SER A 10 2.777 -23.460 -1.920 1.00 1.04 C ATOM 148 OG SER A 10 2.825 -24.027 -0.614 1.00 31.33 O ATOM 0 H SER A 10 2.419 -21.961 -3.924 1.00 74.32 H new ATOM 0 HA SER A 10 0.607 -23.231 -2.027 1.00 73.31 H new ATOM 0 HB2 SER A 10 2.814 -24.257 -2.663 1.00 1.04 H new ATOM 0 HB3 SER A 10 3.657 -22.836 -2.077 1.00 1.04 H new ATOM 0 HG SER A 10 3.696 -23.838 -0.207 1.00 31.33 H new ATOM 154 N SER A 11 1.131 -21.926 0.187 1.00 72.43 N ATOM 155 CA SER A 11 1.067 -21.045 1.382 1.00 41.51 C ATOM 156 C SER A 11 2.423 -20.356 1.666 1.00 61.40 C ATOM 157 O SER A 11 2.456 -19.230 2.159 1.00 73.05 O ATOM 158 CB SER A 11 0.625 -21.867 2.621 1.00 51.12 C ATOM 159 OG SER A 11 1.521 -22.940 2.889 1.00 12.52 O ATOM 0 H SER A 11 0.936 -22.904 0.400 1.00 72.43 H new ATOM 0 HA SER A 11 0.335 -20.264 1.177 1.00 41.51 H new ATOM 0 HB2 SER A 11 0.571 -21.213 3.491 1.00 51.12 H new ATOM 0 HB3 SER A 11 -0.377 -22.263 2.456 1.00 51.12 H new ATOM 0 HG SER A 11 1.213 -23.435 3.677 1.00 12.52 H new ATOM 165 N ASP A 12 3.530 -21.048 1.326 1.00 64.42 N ATOM 166 CA ASP A 12 4.908 -20.507 1.445 1.00 73.13 C ATOM 167 C ASP A 12 5.072 -19.212 0.620 1.00 31.35 C ATOM 168 O ASP A 12 5.654 -18.230 1.087 1.00 23.54 O ATOM 169 CB ASP A 12 5.921 -21.566 0.955 1.00 12.11 C ATOM 170 CG ASP A 12 5.777 -22.901 1.698 1.00 1.32 C ATOM 171 OD1 ASP A 12 6.272 -23.018 2.841 1.00 2.22 O ATOM 172 OD2 ASP A 12 5.141 -23.832 1.159 1.00 11.54 O ATOM 0 H ASP A 12 3.498 -22.000 0.960 1.00 64.42 H new ATOM 0 HA ASP A 12 5.095 -20.270 2.492 1.00 73.13 H new ATOM 0 HB2 ASP A 12 5.782 -21.731 -0.113 1.00 12.11 H new ATOM 0 HB3 ASP A 12 6.934 -21.186 1.089 1.00 12.11 H new ATOM 177 N GLU A 13 4.539 -19.244 -0.616 1.00 31.23 N ATOM 178 CA GLU A 13 4.557 -18.093 -1.552 1.00 73.40 C ATOM 179 C GLU A 13 3.769 -16.895 -0.985 1.00 63.42 C ATOM 180 O GLU A 13 4.270 -15.772 -0.943 1.00 52.32 O ATOM 181 CB GLU A 13 3.950 -18.516 -2.915 1.00 74.33 C ATOM 182 CG GLU A 13 4.644 -19.722 -3.581 1.00 53.50 C ATOM 183 CD GLU A 13 6.066 -19.418 -4.089 1.00 72.43 C ATOM 184 OE1 GLU A 13 6.209 -18.951 -5.240 1.00 12.13 O ATOM 185 OE2 GLU A 13 7.044 -19.644 -3.345 1.00 71.41 O ATOM 0 H GLU A 13 4.081 -20.071 -0.999 1.00 31.23 H new ATOM 0 HA GLU A 13 5.594 -17.785 -1.688 1.00 73.40 H new ATOM 0 HB2 GLU A 13 2.896 -18.754 -2.770 1.00 74.33 H new ATOM 0 HB3 GLU A 13 3.994 -17.667 -3.597 1.00 74.33 H new ATOM 0 HG2 GLU A 13 4.692 -20.543 -2.865 1.00 53.50 H new ATOM 0 HG3 GLU A 13 4.035 -20.064 -4.418 1.00 53.50 H new ATOM 192 N ILE A 14 2.546 -17.185 -0.522 1.00 24.45 N ATOM 193 CA ILE A 14 1.584 -16.165 -0.057 1.00 65.34 C ATOM 194 C ILE A 14 2.057 -15.468 1.242 1.00 32.14 C ATOM 195 O ILE A 14 1.971 -14.255 1.345 1.00 44.11 O ATOM 196 CB ILE A 14 0.162 -16.805 0.156 1.00 43.45 C ATOM 197 CG1 ILE A 14 -0.285 -17.540 -1.148 1.00 12.31 C ATOM 198 CG2 ILE A 14 -0.879 -15.741 0.583 1.00 1.41 C ATOM 199 CD1 ILE A 14 -1.627 -18.245 -1.088 1.00 25.24 C ATOM 0 H ILE A 14 2.190 -18.139 -0.457 1.00 24.45 H new ATOM 0 HA ILE A 14 1.521 -15.403 -0.834 1.00 65.34 H new ATOM 0 HB ILE A 14 0.226 -17.532 0.966 1.00 43.45 H new ATOM 0 HG12 ILE A 14 -0.315 -16.813 -1.959 1.00 12.31 H new ATOM 0 HG13 ILE A 14 0.478 -18.275 -1.407 1.00 12.31 H new ATOM 0 HG21 ILE A 14 -1.850 -16.217 0.722 1.00 1.41 H new ATOM 0 HG22 ILE A 14 -0.564 -15.279 1.519 1.00 1.41 H new ATOM 0 HG23 ILE A 14 -0.957 -14.977 -0.190 1.00 1.41 H new ATOM 0 HD11 ILE A 14 -1.832 -18.719 -2.048 1.00 25.24 H new ATOM 0 HD12 ILE A 14 -1.605 -19.004 -0.306 1.00 25.24 H new ATOM 0 HD13 ILE A 14 -2.410 -17.519 -0.867 1.00 25.24 H new ATOM 211 N ASN A 15 2.554 -16.251 2.215 1.00 12.32 N ATOM 212 CA ASN A 15 3.065 -15.717 3.509 1.00 44.22 C ATOM 213 C ASN A 15 4.358 -14.891 3.323 1.00 10.42 C ATOM 214 O ASN A 15 4.579 -13.905 4.043 1.00 62.03 O ATOM 215 CB ASN A 15 3.297 -16.874 4.511 1.00 2.42 C ATOM 216 CG ASN A 15 2.006 -17.589 4.909 1.00 52.31 C ATOM 217 OD1 ASN A 15 0.937 -16.986 4.985 1.00 45.43 O ATOM 218 ND2 ASN A 15 2.093 -18.880 5.152 1.00 52.43 N ATOM 0 H ASN A 15 2.617 -17.266 2.137 1.00 12.32 H new ATOM 0 HA ASN A 15 2.307 -15.044 3.911 1.00 44.22 H new ATOM 0 HB2 ASN A 15 3.984 -17.596 4.070 1.00 2.42 H new ATOM 0 HB3 ASN A 15 3.779 -16.481 5.406 1.00 2.42 H new ATOM 0 HD21 ASN A 15 1.259 -19.407 5.411 1.00 52.43 H new ATOM 0 HD22 ASN A 15 2.994 -19.353 5.081 1.00 52.43 H new ATOM 225 N ALA A 16 5.203 -15.303 2.356 1.00 24.43 N ATOM 226 CA ALA A 16 6.385 -14.513 1.931 1.00 53.53 C ATOM 227 C ALA A 16 5.949 -13.145 1.347 1.00 65.13 C ATOM 228 O ALA A 16 6.561 -12.116 1.639 1.00 22.31 O ATOM 229 CB ALA A 16 7.219 -15.296 0.906 1.00 33.34 C ATOM 0 H ALA A 16 5.091 -16.182 1.851 1.00 24.43 H new ATOM 0 HA ALA A 16 7.005 -14.328 2.809 1.00 53.53 H new ATOM 0 HB1 ALA A 16 8.081 -14.700 0.607 1.00 33.34 H new ATOM 0 HB2 ALA A 16 7.561 -16.230 1.352 1.00 33.34 H new ATOM 0 HB3 ALA A 16 6.608 -15.515 0.030 1.00 33.34 H new ATOM 235 N ILE A 17 4.865 -13.167 0.540 1.00 44.54 N ATOM 236 CA ILE A 17 4.222 -11.951 -0.014 1.00 24.40 C ATOM 237 C ILE A 17 3.603 -11.077 1.102 1.00 74.11 C ATOM 238 O ILE A 17 3.756 -9.862 1.075 1.00 22.24 O ATOM 239 CB ILE A 17 3.128 -12.332 -1.094 1.00 11.55 C ATOM 240 CG1 ILE A 17 3.822 -12.914 -2.364 1.00 75.54 C ATOM 241 CG2 ILE A 17 2.202 -11.140 -1.458 1.00 10.14 C ATOM 242 CD1 ILE A 17 2.883 -13.402 -3.453 1.00 73.04 C ATOM 0 H ILE A 17 4.408 -14.032 0.252 1.00 44.54 H new ATOM 0 HA ILE A 17 5.000 -11.365 -0.503 1.00 24.40 H new ATOM 0 HB ILE A 17 2.482 -13.093 -0.655 1.00 11.55 H new ATOM 0 HG12 ILE A 17 4.473 -12.148 -2.785 1.00 75.54 H new ATOM 0 HG13 ILE A 17 4.461 -13.743 -2.060 1.00 75.54 H new ATOM 0 HG21 ILE A 17 1.473 -11.460 -2.202 1.00 10.14 H new ATOM 0 HG22 ILE A 17 1.682 -10.797 -0.564 1.00 10.14 H new ATOM 0 HG23 ILE A 17 2.801 -10.325 -1.864 1.00 10.14 H new ATOM 0 HD11 ILE A 17 3.465 -13.787 -4.290 1.00 73.04 H new ATOM 0 HD12 ILE A 17 2.248 -14.195 -3.058 1.00 73.04 H new ATOM 0 HD13 ILE A 17 2.260 -12.575 -3.794 1.00 73.04 H new ATOM 254 N ILE A 18 2.943 -11.710 2.089 1.00 53.45 N ATOM 255 CA ILE A 18 2.290 -11.002 3.215 1.00 54.21 C ATOM 256 C ILE A 18 3.311 -10.126 3.975 1.00 31.51 C ATOM 257 O ILE A 18 3.084 -8.932 4.177 1.00 2.42 O ATOM 258 CB ILE A 18 1.572 -12.014 4.199 1.00 41.21 C ATOM 259 CG1 ILE A 18 0.316 -12.652 3.512 1.00 33.41 C ATOM 260 CG2 ILE A 18 1.186 -11.342 5.544 1.00 3.31 C ATOM 261 CD1 ILE A 18 -0.335 -13.785 4.294 1.00 74.31 C ATOM 0 H ILE A 18 2.845 -12.724 2.132 1.00 53.45 H new ATOM 0 HA ILE A 18 1.523 -10.351 2.797 1.00 54.21 H new ATOM 0 HB ILE A 18 2.284 -12.807 4.429 1.00 41.21 H new ATOM 0 HG12 ILE A 18 -0.426 -11.871 3.347 1.00 33.41 H new ATOM 0 HG13 ILE A 18 0.608 -13.027 2.531 1.00 33.41 H new ATOM 0 HG21 ILE A 18 0.696 -12.072 6.188 1.00 3.31 H new ATOM 0 HG22 ILE A 18 2.085 -10.969 6.036 1.00 3.31 H new ATOM 0 HG23 ILE A 18 0.506 -10.512 5.354 1.00 3.31 H new ATOM 0 HD11 ILE A 18 -1.195 -14.162 3.740 1.00 74.31 H new ATOM 0 HD12 ILE A 18 0.386 -14.590 4.437 1.00 74.31 H new ATOM 0 HD13 ILE A 18 -0.663 -13.415 5.265 1.00 74.31 H new ATOM 273 N ARG A 19 4.452 -10.725 4.345 1.00 61.33 N ATOM 274 CA ARG A 19 5.552 -9.996 5.010 1.00 32.13 C ATOM 275 C ARG A 19 6.244 -9.000 4.061 1.00 45.13 C ATOM 276 O ARG A 19 6.739 -7.982 4.512 1.00 11.20 O ATOM 277 CB ARG A 19 6.608 -10.958 5.568 1.00 10.42 C ATOM 278 CG ARG A 19 6.089 -11.988 6.586 1.00 71.11 C ATOM 279 CD ARG A 19 7.250 -12.723 7.275 1.00 52.24 C ATOM 280 NE ARG A 19 8.181 -13.333 6.295 1.00 2.43 N ATOM 281 CZ ARG A 19 8.830 -14.469 6.431 1.00 23.40 C ATOM 282 NH1 ARG A 19 8.665 -15.231 7.468 1.00 63.43 N ATOM 283 NH2 ARG A 19 9.635 -14.844 5.492 1.00 24.14 N ATOM 0 H ARG A 19 4.642 -11.716 4.196 1.00 61.33 H new ATOM 0 HA ARG A 19 5.093 -9.443 5.830 1.00 32.13 H new ATOM 0 HB2 ARG A 19 7.064 -11.493 4.735 1.00 10.42 H new ATOM 0 HB3 ARG A 19 7.396 -10.371 6.040 1.00 10.42 H new ATOM 0 HG2 ARG A 19 5.477 -11.486 7.336 1.00 71.11 H new ATOM 0 HG3 ARG A 19 5.447 -12.710 6.082 1.00 71.11 H new ATOM 0 HD2 ARG A 19 7.797 -12.024 7.908 1.00 52.24 H new ATOM 0 HD3 ARG A 19 6.851 -13.499 7.928 1.00 52.24 H new ATOM 0 HE ARG A 19 8.334 -12.819 5.427 1.00 2.43 H new ATOM 0 HH11 ARG A 19 8.018 -14.955 8.206 1.00 63.43 H new ATOM 0 HH12 ARG A 19 9.183 -16.106 7.545 1.00 63.43 H new ATOM 0 HH21 ARG A 19 9.758 -14.262 4.663 1.00 24.14 H new ATOM 0 HH22 ARG A 19 10.147 -15.722 5.580 1.00 24.14 H new ATOM 297 N ALA A 20 6.296 -9.321 2.756 1.00 13.33 N ATOM 298 CA ALA A 20 6.899 -8.431 1.736 1.00 53.11 C ATOM 299 C ALA A 20 6.056 -7.145 1.531 1.00 2.12 C ATOM 300 O ALA A 20 6.597 -6.093 1.199 1.00 51.25 O ATOM 301 CB ALA A 20 7.075 -9.184 0.409 1.00 12.44 C ATOM 0 H ALA A 20 5.927 -10.193 2.377 1.00 13.33 H new ATOM 0 HA ALA A 20 7.880 -8.124 2.097 1.00 53.11 H new ATOM 0 HB1 ALA A 20 7.519 -8.518 -0.331 1.00 12.44 H new ATOM 0 HB2 ALA A 20 7.728 -10.043 0.562 1.00 12.44 H new ATOM 0 HB3 ALA A 20 6.103 -9.526 0.053 1.00 12.44 H new ATOM 307 N VAL A 21 4.731 -7.264 1.739 1.00 22.14 N ATOM 308 CA VAL A 21 3.785 -6.129 1.708 1.00 25.12 C ATOM 309 C VAL A 21 3.869 -5.328 3.026 1.00 24.23 C ATOM 310 O VAL A 21 4.051 -4.124 3.004 1.00 73.03 O ATOM 311 CB VAL A 21 2.307 -6.628 1.481 1.00 25.33 C ATOM 312 CG1 VAL A 21 1.282 -5.474 1.620 1.00 22.23 C ATOM 313 CG2 VAL A 21 2.158 -7.334 0.110 1.00 54.00 C ATOM 0 H VAL A 21 4.282 -8.158 1.935 1.00 22.14 H new ATOM 0 HA VAL A 21 4.062 -5.483 0.875 1.00 25.12 H new ATOM 0 HB VAL A 21 2.091 -7.355 2.263 1.00 25.33 H new ATOM 0 HG11 VAL A 21 0.276 -5.860 1.456 1.00 22.23 H new ATOM 0 HG12 VAL A 21 1.349 -5.047 2.621 1.00 22.23 H new ATOM 0 HG13 VAL A 21 1.500 -4.703 0.881 1.00 22.23 H new ATOM 0 HG21 VAL A 21 1.128 -7.667 -0.018 1.00 54.00 H new ATOM 0 HG22 VAL A 21 2.416 -6.638 -0.688 1.00 54.00 H new ATOM 0 HG23 VAL A 21 2.825 -8.195 0.070 1.00 54.00 H new ATOM 323 N TYR A 22 3.738 -6.032 4.166 1.00 12.24 N ATOM 324 CA TYR A 22 3.837 -5.438 5.526 1.00 41.12 C ATOM 325 C TYR A 22 5.177 -4.664 5.736 1.00 72.51 C ATOM 326 O TYR A 22 5.192 -3.564 6.279 1.00 41.15 O ATOM 327 CB TYR A 22 3.681 -6.556 6.612 1.00 34.43 C ATOM 328 CG TYR A 22 2.254 -6.792 7.145 1.00 0.33 C ATOM 329 CD1 TYR A 22 1.728 -5.988 8.168 1.00 54.11 C ATOM 330 CD2 TYR A 22 1.444 -7.817 6.653 1.00 52.03 C ATOM 331 CE1 TYR A 22 0.456 -6.200 8.670 1.00 3.24 C ATOM 332 CE2 TYR A 22 0.169 -8.031 7.152 1.00 51.40 C ATOM 333 CZ TYR A 22 -0.320 -7.224 8.157 1.00 31.41 C ATOM 334 OH TYR A 22 -1.586 -7.441 8.654 1.00 4.14 O ATOM 0 H TYR A 22 3.559 -7.036 4.177 1.00 12.24 H new ATOM 0 HA TYR A 22 3.027 -4.715 5.627 1.00 41.12 H new ATOM 0 HB2 TYR A 22 4.050 -7.493 6.195 1.00 34.43 H new ATOM 0 HB3 TYR A 22 4.325 -6.307 7.455 1.00 34.43 H new ATOM 0 HD1 TYR A 22 2.329 -5.187 8.572 1.00 54.11 H new ATOM 0 HD2 TYR A 22 1.819 -8.456 5.867 1.00 52.03 H new ATOM 0 HE1 TYR A 22 0.071 -5.570 9.458 1.00 3.24 H new ATOM 0 HE2 TYR A 22 -0.441 -8.829 6.754 1.00 51.40 H new ATOM 0 HH TYR A 22 -1.787 -8.400 8.631 1.00 4.14 H new ATOM 344 N ARG A 23 6.294 -5.260 5.306 1.00 20.43 N ATOM 345 CA ARG A 23 7.652 -4.665 5.450 1.00 52.10 C ATOM 346 C ARG A 23 7.861 -3.504 4.451 1.00 22.23 C ATOM 347 O ARG A 23 8.665 -2.611 4.693 1.00 41.43 O ATOM 348 CB ARG A 23 8.743 -5.759 5.278 1.00 31.41 C ATOM 349 CG ARG A 23 10.118 -5.407 5.894 1.00 63.53 C ATOM 350 CD ARG A 23 11.189 -6.493 5.642 1.00 4.31 C ATOM 351 NE ARG A 23 12.398 -6.259 6.451 1.00 23.41 N ATOM 352 CZ ARG A 23 13.532 -5.729 6.038 1.00 4.45 C ATOM 353 NH1 ARG A 23 13.710 -5.373 4.799 1.00 34.42 N ATOM 354 NH2 ARG A 23 14.488 -5.556 6.895 1.00 2.50 N ATOM 0 H ARG A 23 6.295 -6.170 4.846 1.00 20.43 H new ATOM 0 HA ARG A 23 7.740 -4.251 6.454 1.00 52.10 H new ATOM 0 HB2 ARG A 23 8.384 -6.684 5.730 1.00 31.41 H new ATOM 0 HB3 ARG A 23 8.877 -5.955 4.214 1.00 31.41 H new ATOM 0 HG2 ARG A 23 10.464 -4.460 5.479 1.00 63.53 H new ATOM 0 HG3 ARG A 23 10.002 -5.261 6.968 1.00 63.53 H new ATOM 0 HD2 ARG A 23 10.776 -7.474 5.878 1.00 4.31 H new ATOM 0 HD3 ARG A 23 11.454 -6.505 4.585 1.00 4.31 H new ATOM 0 HE ARG A 23 12.353 -6.536 7.432 1.00 23.41 H new ATOM 0 HH11 ARG A 23 12.961 -5.502 4.119 1.00 34.42 H new ATOM 0 HH12 ARG A 23 14.599 -4.965 4.508 1.00 34.42 H new ATOM 0 HH21 ARG A 23 14.355 -5.828 7.869 1.00 2.50 H new ATOM 0 HH22 ARG A 23 15.373 -5.147 6.596 1.00 2.50 H new ATOM 368 N GLN A 24 7.171 -3.564 3.298 1.00 73.24 N ATOM 369 CA GLN A 24 7.181 -2.472 2.295 1.00 41.11 C ATOM 370 C GLN A 24 6.356 -1.253 2.783 1.00 23.42 C ATOM 371 O GLN A 24 6.810 -0.116 2.697 1.00 42.12 O ATOM 372 CB GLN A 24 6.594 -2.996 0.954 1.00 64.24 C ATOM 373 CG GLN A 24 6.667 -2.008 -0.229 1.00 60.02 C ATOM 374 CD GLN A 24 5.897 -2.488 -1.469 1.00 2.52 C ATOM 375 OE1 GLN A 24 5.767 -3.680 -1.718 1.00 51.04 O ATOM 376 NE2 GLN A 24 5.373 -1.563 -2.251 1.00 63.44 N ATOM 0 H GLN A 24 6.594 -4.362 3.032 1.00 73.24 H new ATOM 0 HA GLN A 24 8.212 -2.149 2.150 1.00 41.11 H new ATOM 0 HB2 GLN A 24 7.122 -3.908 0.677 1.00 64.24 H new ATOM 0 HB3 GLN A 24 5.551 -3.268 1.115 1.00 64.24 H new ATOM 0 HG2 GLN A 24 6.269 -1.044 0.087 1.00 60.02 H new ATOM 0 HG3 GLN A 24 7.712 -1.849 -0.497 1.00 60.02 H new ATOM 0 HE21 GLN A 24 5.494 -0.576 -2.025 1.00 63.44 H new ATOM 0 HE22 GLN A 24 4.847 -1.835 -3.082 1.00 63.44 H new ATOM 385 N VAL A 25 5.155 -1.529 3.328 1.00 2.33 N ATOM 386 CA VAL A 25 4.186 -0.500 3.762 1.00 12.31 C ATOM 387 C VAL A 25 4.595 0.155 5.110 1.00 0.41 C ATOM 388 O VAL A 25 4.461 1.356 5.271 1.00 23.15 O ATOM 389 CB VAL A 25 2.714 -1.082 3.830 1.00 51.24 C ATOM 390 CG1 VAL A 25 1.702 -0.055 4.403 1.00 52.11 C ATOM 391 CG2 VAL A 25 2.242 -1.582 2.433 1.00 75.34 C ATOM 0 H VAL A 25 4.826 -2.482 3.481 1.00 2.33 H new ATOM 0 HA VAL A 25 4.199 0.286 3.006 1.00 12.31 H new ATOM 0 HB VAL A 25 2.746 -1.930 4.514 1.00 51.24 H new ATOM 0 HG11 VAL A 25 0.707 -0.500 4.430 1.00 52.11 H new ATOM 0 HG12 VAL A 25 2.001 0.226 5.413 1.00 52.11 H new ATOM 0 HG13 VAL A 25 1.686 0.832 3.770 1.00 52.11 H new ATOM 0 HG21 VAL A 25 1.229 -1.976 2.511 1.00 75.34 H new ATOM 0 HG22 VAL A 25 2.256 -0.753 1.726 1.00 75.34 H new ATOM 0 HG23 VAL A 25 2.911 -2.368 2.083 1.00 75.34 H new ATOM 401 N LEU A 26 5.099 -0.629 6.074 1.00 31.21 N ATOM 402 CA LEU A 26 5.503 -0.086 7.407 1.00 60.01 C ATOM 403 C LEU A 26 7.037 0.141 7.513 1.00 14.35 C ATOM 404 O LEU A 26 7.502 0.829 8.428 1.00 52.30 O ATOM 405 CB LEU A 26 4.999 -0.985 8.575 1.00 21.11 C ATOM 406 CG LEU A 26 3.437 -1.119 8.736 1.00 20.32 C ATOM 407 CD1 LEU A 26 2.839 -2.179 7.787 1.00 2.34 C ATOM 408 CD2 LEU A 26 3.041 -1.405 10.202 1.00 65.13 C ATOM 0 H LEU A 26 5.241 -1.634 5.971 1.00 31.21 H new ATOM 0 HA LEU A 26 5.021 0.888 7.497 1.00 60.01 H new ATOM 0 HB2 LEU A 26 5.415 -1.984 8.441 1.00 21.11 H new ATOM 0 HB3 LEU A 26 5.406 -0.593 9.507 1.00 21.11 H new ATOM 0 HG LEU A 26 3.012 -0.156 8.453 1.00 20.32 H new ATOM 0 HD11 LEU A 26 1.761 -2.234 7.936 1.00 2.34 H new ATOM 0 HD12 LEU A 26 3.049 -1.902 6.754 1.00 2.34 H new ATOM 0 HD13 LEU A 26 3.284 -3.151 8.000 1.00 2.34 H new ATOM 0 HD21 LEU A 26 1.957 -1.491 10.276 1.00 65.13 H new ATOM 0 HD22 LEU A 26 3.502 -2.337 10.528 1.00 65.13 H new ATOM 0 HD23 LEU A 26 3.384 -0.589 10.837 1.00 65.13 H new ATOM 420 N GLY A 27 7.818 -0.455 6.597 1.00 52.13 N ATOM 421 CA GLY A 27 9.271 -0.187 6.505 1.00 63.52 C ATOM 422 C GLY A 27 10.139 -0.983 7.498 1.00 43.41 C ATOM 423 O GLY A 27 10.852 -1.914 7.103 1.00 75.24 O ATOM 0 H GLY A 27 7.473 -1.125 5.909 1.00 52.13 H new ATOM 0 HA2 GLY A 27 9.604 -0.412 5.492 1.00 63.52 H new ATOM 0 HA3 GLY A 27 9.441 0.877 6.668 1.00 63.52 H new ATOM 427 N ASN A 28 10.061 -0.616 8.794 1.00 72.15 N ATOM 428 CA ASN A 28 10.965 -1.132 9.859 1.00 33.52 C ATOM 429 C ASN A 28 10.489 -2.516 10.399 1.00 62.40 C ATOM 430 O ASN A 28 10.088 -2.637 11.567 1.00 52.13 O ATOM 431 CB ASN A 28 11.052 -0.069 11.003 1.00 34.03 C ATOM 432 CG ASN A 28 12.141 -0.352 12.045 1.00 11.34 C ATOM 433 OD1 ASN A 28 13.203 -0.864 11.724 1.00 12.11 O ATOM 434 ND2 ASN A 28 11.884 -0.046 13.300 1.00 34.33 N ATOM 0 H ASN A 28 9.369 0.049 9.139 1.00 72.15 H new ATOM 0 HA ASN A 28 11.958 -1.293 9.439 1.00 33.52 H new ATOM 0 HB2 ASN A 28 11.235 0.910 10.560 1.00 34.03 H new ATOM 0 HB3 ASN A 28 10.087 -0.016 11.508 1.00 34.03 H new ATOM 0 HD21 ASN A 28 12.577 -0.236 14.024 1.00 34.33 H new ATOM 0 HD22 ASN A 28 10.992 0.381 13.548 1.00 34.33 H new ATOM 441 N ASP A 29 10.537 -3.542 9.514 1.00 23.13 N ATOM 442 CA ASP A 29 10.033 -4.925 9.770 1.00 74.12 C ATOM 443 C ASP A 29 8.639 -4.952 10.459 1.00 32.51 C ATOM 444 O ASP A 29 8.356 -5.851 11.264 1.00 21.12 O ATOM 445 CB ASP A 29 11.078 -5.781 10.551 1.00 1.50 C ATOM 446 CG ASP A 29 12.377 -6.009 9.767 1.00 71.20 C ATOM 447 OD1 ASP A 29 13.111 -5.035 9.504 1.00 33.44 O ATOM 448 OD2 ASP A 29 12.666 -7.171 9.379 1.00 64.15 O ATOM 0 H ASP A 29 10.935 -3.435 8.581 1.00 23.13 H new ATOM 0 HA ASP A 29 9.893 -5.381 8.790 1.00 74.12 H new ATOM 0 HB2 ASP A 29 11.312 -5.286 11.494 1.00 1.50 H new ATOM 0 HB3 ASP A 29 10.636 -6.746 10.798 1.00 1.50 H new ATOM 453 N TYR A 30 7.768 -3.978 10.067 1.00 33.43 N ATOM 454 CA TYR A 30 6.321 -3.878 10.439 1.00 40.43 C ATOM 455 C TYR A 30 5.983 -4.103 11.950 1.00 21.01 C ATOM 456 O TYR A 30 6.849 -4.056 12.830 1.00 64.32 O ATOM 457 CB TYR A 30 5.450 -4.789 9.498 1.00 34.31 C ATOM 458 CG TYR A 30 5.876 -6.269 9.432 1.00 0.15 C ATOM 459 CD1 TYR A 30 5.521 -7.172 10.429 1.00 43.22 C ATOM 460 CD2 TYR A 30 6.672 -6.750 8.385 1.00 22.23 C ATOM 461 CE1 TYR A 30 5.948 -8.479 10.387 1.00 2.32 C ATOM 462 CE2 TYR A 30 7.086 -8.058 8.338 1.00 5.14 C ATOM 463 CZ TYR A 30 6.722 -8.920 9.342 1.00 3.30 C ATOM 464 OH TYR A 30 7.145 -10.226 9.313 1.00 25.14 O ATOM 0 H TYR A 30 8.063 -3.212 9.461 1.00 33.43 H new ATOM 0 HA TYR A 30 6.061 -2.831 10.281 1.00 40.43 H new ATOM 0 HB2 TYR A 30 4.414 -4.741 9.832 1.00 34.31 H new ATOM 0 HB3 TYR A 30 5.480 -4.375 8.490 1.00 34.31 H new ATOM 0 HD1 TYR A 30 4.900 -6.842 11.249 1.00 43.22 H new ATOM 0 HD2 TYR A 30 6.967 -6.075 7.595 1.00 22.23 H new ATOM 0 HE1 TYR A 30 5.674 -9.161 11.179 1.00 2.32 H new ATOM 0 HE2 TYR A 30 7.694 -8.406 7.516 1.00 5.14 H new ATOM 0 HH TYR A 30 6.486 -10.793 9.766 1.00 25.14 H new ATOM 474 N VAL A 31 4.669 -4.265 12.234 1.00 50.22 N ATOM 475 CA VAL A 31 4.153 -4.612 13.581 1.00 34.11 C ATOM 476 C VAL A 31 3.872 -6.139 13.686 1.00 42.23 C ATOM 477 O VAL A 31 4.672 -6.878 14.272 1.00 43.10 O ATOM 478 CB VAL A 31 2.856 -3.782 13.918 1.00 41.35 C ATOM 479 CG1 VAL A 31 2.279 -4.158 15.306 1.00 75.51 C ATOM 480 CG2 VAL A 31 3.134 -2.262 13.820 1.00 74.24 C ATOM 0 H VAL A 31 3.935 -4.159 11.534 1.00 50.22 H new ATOM 0 HA VAL A 31 4.919 -4.354 14.313 1.00 34.11 H new ATOM 0 HB VAL A 31 2.100 -4.037 13.175 1.00 41.35 H new ATOM 0 HG11 VAL A 31 1.386 -3.565 15.502 1.00 75.51 H new ATOM 0 HG12 VAL A 31 2.021 -5.217 15.318 1.00 75.51 H new ATOM 0 HG13 VAL A 31 3.024 -3.957 16.076 1.00 75.51 H new ATOM 0 HG21 VAL A 31 2.225 -1.710 14.057 1.00 74.24 H new ATOM 0 HG22 VAL A 31 3.918 -1.989 14.526 1.00 74.24 H new ATOM 0 HG23 VAL A 31 3.455 -2.015 12.808 1.00 74.24 H new ATOM 490 N MET A 32 2.737 -6.586 13.078 1.00 62.22 N ATOM 491 CA MET A 32 2.231 -7.989 13.131 1.00 61.30 C ATOM 492 C MET A 32 1.728 -8.417 14.543 1.00 50.22 C ATOM 493 O MET A 32 0.579 -8.853 14.677 1.00 32.03 O ATOM 494 CB MET A 32 3.264 -8.999 12.549 1.00 73.03 C ATOM 495 CG MET A 32 2.898 -10.484 12.669 1.00 61.43 C ATOM 496 SD MET A 32 3.866 -11.548 11.574 1.00 50.25 S ATOM 497 CE MET A 32 3.220 -11.110 9.952 1.00 3.44 C ATOM 0 H MET A 32 2.138 -5.971 12.528 1.00 62.22 H new ATOM 0 HA MET A 32 1.351 -8.011 12.488 1.00 61.30 H new ATOM 0 HB2 MET A 32 3.414 -8.767 11.495 1.00 73.03 H new ATOM 0 HB3 MET A 32 4.219 -8.840 13.050 1.00 73.03 H new ATOM 0 HG2 MET A 32 3.045 -10.805 13.700 1.00 61.43 H new ATOM 0 HG3 MET A 32 1.839 -10.610 12.444 1.00 61.43 H new ATOM 0 HE1 MET A 32 3.480 -11.888 9.235 1.00 3.44 H new ATOM 0 HE2 MET A 32 2.136 -11.014 10.006 1.00 3.44 H new ATOM 0 HE3 MET A 32 3.653 -10.162 9.632 1.00 3.44 H new ATOM 507 N SER A 33 2.594 -8.316 15.577 1.00 32.24 N ATOM 508 CA SER A 33 2.262 -8.690 16.975 1.00 71.20 C ATOM 509 C SER A 33 1.187 -7.748 17.596 1.00 50.14 C ATOM 510 O SER A 33 1.512 -6.820 18.347 1.00 64.23 O ATOM 511 CB SER A 33 3.553 -8.696 17.832 1.00 24.25 C ATOM 512 OG SER A 33 4.525 -9.576 17.289 1.00 14.50 O ATOM 0 H SER A 33 3.548 -7.971 15.467 1.00 32.24 H new ATOM 0 HA SER A 33 1.831 -9.691 16.963 1.00 71.20 H new ATOM 0 HB2 SER A 33 3.962 -7.687 17.886 1.00 24.25 H new ATOM 0 HB3 SER A 33 3.314 -8.998 18.852 1.00 24.25 H new ATOM 0 HG SER A 33 5.330 -9.559 17.848 1.00 14.50 H new ATOM 518 N THR A 34 -0.088 -8.020 17.239 1.00 55.03 N ATOM 519 CA THR A 34 -1.287 -7.214 17.596 1.00 44.41 C ATOM 520 C THR A 34 -2.520 -7.785 16.842 1.00 13.22 C ATOM 521 O THR A 34 -2.437 -8.863 16.238 1.00 41.52 O ATOM 522 CB THR A 34 -1.119 -5.684 17.222 1.00 75.01 C ATOM 523 OG1 THR A 34 -2.234 -4.916 17.704 1.00 45.20 O ATOM 524 CG2 THR A 34 -0.973 -5.459 15.705 1.00 13.44 C ATOM 0 H THR A 34 -0.324 -8.836 16.674 1.00 55.03 H new ATOM 0 HA THR A 34 -1.420 -7.278 18.676 1.00 44.41 H new ATOM 0 HB THR A 34 -0.200 -5.351 17.704 1.00 75.01 H new ATOM 0 HG1 THR A 34 -2.110 -3.974 17.464 1.00 45.20 H new ATOM 0 HG21 THR A 34 -0.861 -4.394 15.504 1.00 13.44 H new ATOM 0 HG22 THR A 34 -0.094 -5.991 15.341 1.00 13.44 H new ATOM 0 HG23 THR A 34 -1.861 -5.833 15.195 1.00 13.44 H new ATOM 532 N GLU A 35 -3.667 -7.077 16.889 1.00 72.52 N ATOM 533 CA GLU A 35 -4.780 -7.320 15.950 1.00 43.25 C ATOM 534 C GLU A 35 -4.396 -6.754 14.556 1.00 41.02 C ATOM 535 O GLU A 35 -4.692 -5.594 14.225 1.00 42.04 O ATOM 536 CB GLU A 35 -6.098 -6.677 16.467 1.00 62.42 C ATOM 537 CG GLU A 35 -7.320 -6.926 15.552 1.00 22.32 C ATOM 538 CD GLU A 35 -8.591 -6.192 16.012 1.00 45.13 C ATOM 539 OE1 GLU A 35 -8.708 -4.971 15.762 1.00 24.32 O ATOM 540 OE2 GLU A 35 -9.487 -6.828 16.606 1.00 73.43 O ATOM 0 H GLU A 35 -3.846 -6.335 17.565 1.00 72.52 H new ATOM 0 HA GLU A 35 -4.955 -8.393 15.869 1.00 43.25 H new ATOM 0 HB2 GLU A 35 -6.316 -7.068 17.461 1.00 62.42 H new ATOM 0 HB3 GLU A 35 -5.949 -5.602 16.573 1.00 62.42 H new ATOM 0 HG2 GLU A 35 -7.075 -6.610 14.538 1.00 22.32 H new ATOM 0 HG3 GLU A 35 -7.522 -7.996 15.513 1.00 22.32 H new ATOM 547 N ARG A 36 -3.650 -7.559 13.782 1.00 21.15 N ATOM 548 CA ARG A 36 -3.249 -7.209 12.399 1.00 15.10 C ATOM 549 C ARG A 36 -4.387 -7.573 11.402 1.00 21.13 C ATOM 550 O ARG A 36 -5.460 -8.027 11.822 1.00 33.23 O ATOM 551 CB ARG A 36 -1.909 -7.922 12.045 1.00 53.34 C ATOM 552 CG ARG A 36 -2.025 -9.448 11.880 1.00 64.45 C ATOM 553 CD ARG A 36 -0.673 -10.155 11.654 1.00 55.25 C ATOM 554 NE ARG A 36 -0.842 -11.489 11.043 1.00 41.25 N ATOM 555 CZ ARG A 36 -0.240 -12.601 11.385 1.00 15.30 C ATOM 556 NH1 ARG A 36 0.449 -12.696 12.473 1.00 73.33 N ATOM 557 NH2 ARG A 36 -0.378 -13.633 10.630 1.00 55.11 N ATOM 0 H ARG A 36 -3.306 -8.468 14.091 1.00 21.15 H new ATOM 0 HA ARG A 36 -3.084 -6.134 12.323 1.00 15.10 H new ATOM 0 HB2 ARG A 36 -1.519 -7.497 11.120 1.00 53.34 H new ATOM 0 HB3 ARG A 36 -1.180 -7.708 12.826 1.00 53.34 H new ATOM 0 HG2 ARG A 36 -2.498 -9.865 12.769 1.00 64.45 H new ATOM 0 HG3 ARG A 36 -2.682 -9.664 11.038 1.00 64.45 H new ATOM 0 HD2 ARG A 36 -0.045 -9.539 11.011 1.00 55.25 H new ATOM 0 HD3 ARG A 36 -0.153 -10.256 12.607 1.00 55.25 H new ATOM 0 HE ARG A 36 -1.502 -11.551 10.268 1.00 41.25 H new ATOM 0 HH11 ARG A 36 0.536 -11.891 13.094 1.00 73.33 H new ATOM 0 HH12 ARG A 36 0.906 -13.576 12.712 1.00 73.33 H new ATOM 0 HH21 ARG A 36 -0.947 -13.575 9.785 1.00 55.11 H new ATOM 0 HH22 ARG A 36 0.081 -14.510 10.876 1.00 55.11 H new ATOM 571 N LEU A 37 -4.154 -7.391 10.088 1.00 1.30 N ATOM 572 CA LEU A 37 -5.186 -7.641 9.051 1.00 12.04 C ATOM 573 C LEU A 37 -5.209 -9.131 8.631 1.00 22.33 C ATOM 574 O LEU A 37 -5.007 -9.472 7.463 1.00 63.41 O ATOM 575 CB LEU A 37 -4.978 -6.711 7.821 1.00 31.00 C ATOM 576 CG LEU A 37 -4.927 -5.170 8.124 1.00 11.40 C ATOM 577 CD1 LEU A 37 -3.500 -4.713 8.511 1.00 24.34 C ATOM 578 CD2 LEU A 37 -5.486 -4.342 6.949 1.00 42.44 C ATOM 0 H LEU A 37 -3.260 -7.071 9.714 1.00 1.30 H new ATOM 0 HA LEU A 37 -6.158 -7.407 9.485 1.00 12.04 H new ATOM 0 HB2 LEU A 37 -4.048 -6.995 7.329 1.00 31.00 H new ATOM 0 HB3 LEU A 37 -5.784 -6.895 7.111 1.00 31.00 H new ATOM 0 HG LEU A 37 -5.571 -4.989 8.985 1.00 11.40 H new ATOM 0 HD11 LEU A 37 -3.503 -3.642 8.713 1.00 24.34 H new ATOM 0 HD12 LEU A 37 -3.175 -5.250 9.402 1.00 24.34 H new ATOM 0 HD13 LEU A 37 -2.815 -4.925 7.690 1.00 24.34 H new ATOM 0 HD21 LEU A 37 -5.435 -3.281 7.195 1.00 42.44 H new ATOM 0 HD22 LEU A 37 -4.895 -4.536 6.054 1.00 42.44 H new ATOM 0 HD23 LEU A 37 -6.523 -4.623 6.767 1.00 42.44 H new ATOM 590 N THR A 38 -5.494 -10.010 9.616 1.00 62.32 N ATOM 591 CA THR A 38 -5.541 -11.483 9.434 1.00 32.23 C ATOM 592 C THR A 38 -6.657 -11.901 8.457 1.00 25.44 C ATOM 593 O THR A 38 -6.541 -12.916 7.762 1.00 1.31 O ATOM 594 CB THR A 38 -5.766 -12.217 10.795 1.00 34.43 C ATOM 595 OG1 THR A 38 -7.049 -11.851 11.349 1.00 63.04 O ATOM 596 CG2 THR A 38 -4.656 -11.888 11.809 1.00 42.04 C ATOM 0 H THR A 38 -5.701 -9.717 10.571 1.00 62.32 H new ATOM 0 HA THR A 38 -4.576 -11.773 9.019 1.00 32.23 H new ATOM 0 HB THR A 38 -5.740 -13.289 10.599 1.00 34.43 H new ATOM 0 HG1 THR A 38 -7.182 -12.317 12.201 1.00 63.04 H new ATOM 0 HG21 THR A 38 -4.848 -12.417 12.743 1.00 42.04 H new ATOM 0 HG22 THR A 38 -3.692 -12.199 11.407 1.00 42.04 H new ATOM 0 HG23 THR A 38 -4.641 -10.814 11.997 1.00 42.04 H new ATOM 604 N SER A 39 -7.749 -11.115 8.440 1.00 50.12 N ATOM 605 CA SER A 39 -8.861 -11.293 7.482 1.00 31.31 C ATOM 606 C SER A 39 -8.377 -11.077 6.031 1.00 31.43 C ATOM 607 O SER A 39 -8.582 -11.937 5.182 1.00 32.14 O ATOM 608 CB SER A 39 -10.023 -10.328 7.806 1.00 13.54 C ATOM 609 OG SER A 39 -11.120 -10.507 6.916 1.00 31.31 O ATOM 0 H SER A 39 -7.887 -10.339 9.088 1.00 50.12 H new ATOM 0 HA SER A 39 -9.223 -12.317 7.576 1.00 31.31 H new ATOM 0 HB2 SER A 39 -10.356 -10.490 8.831 1.00 13.54 H new ATOM 0 HB3 SER A 39 -9.669 -9.299 7.745 1.00 13.54 H new ATOM 0 HG SER A 39 -11.837 -9.882 7.151 1.00 31.31 H new ATOM 615 N ALA A 40 -7.678 -9.949 5.780 1.00 51.12 N ATOM 616 CA ALA A 40 -7.128 -9.621 4.435 1.00 33.44 C ATOM 617 C ALA A 40 -6.064 -10.662 3.970 1.00 44.41 C ATOM 618 O ALA A 40 -5.996 -11.008 2.785 1.00 72.02 O ATOM 619 CB ALA A 40 -6.538 -8.201 4.433 1.00 3.52 C ATOM 0 H ALA A 40 -7.478 -9.245 6.490 1.00 51.12 H new ATOM 0 HA ALA A 40 -7.951 -9.663 3.722 1.00 33.44 H new ATOM 0 HB1 ALA A 40 -6.139 -7.974 3.444 1.00 3.52 H new ATOM 0 HB2 ALA A 40 -7.318 -7.482 4.683 1.00 3.52 H new ATOM 0 HB3 ALA A 40 -5.737 -8.139 5.170 1.00 3.52 H new ATOM 625 N GLU A 41 -5.237 -11.136 4.926 1.00 54.34 N ATOM 626 CA GLU A 41 -4.258 -12.234 4.712 1.00 23.41 C ATOM 627 C GLU A 41 -4.938 -13.545 4.272 1.00 22.32 C ATOM 628 O GLU A 41 -4.543 -14.140 3.275 1.00 1.24 O ATOM 629 CB GLU A 41 -3.455 -12.464 6.014 1.00 65.10 C ATOM 630 CG GLU A 41 -2.531 -11.291 6.384 1.00 53.22 C ATOM 631 CD GLU A 41 -1.941 -11.403 7.791 1.00 24.45 C ATOM 632 OE1 GLU A 41 -1.284 -12.426 8.093 1.00 33.00 O ATOM 633 OE2 GLU A 41 -2.148 -10.482 8.609 1.00 70.54 O ATOM 0 H GLU A 41 -5.226 -10.767 5.877 1.00 54.34 H new ATOM 0 HA GLU A 41 -3.589 -11.934 3.906 1.00 23.41 H new ATOM 0 HB2 GLU A 41 -4.151 -12.640 6.834 1.00 65.10 H new ATOM 0 HB3 GLU A 41 -2.855 -13.368 5.906 1.00 65.10 H new ATOM 0 HG2 GLU A 41 -1.718 -11.236 5.660 1.00 53.22 H new ATOM 0 HG3 GLU A 41 -3.090 -10.359 6.306 1.00 53.22 H new ATOM 640 N SER A 42 -5.970 -13.970 5.024 1.00 23.21 N ATOM 641 CA SER A 42 -6.731 -15.216 4.730 1.00 61.11 C ATOM 642 C SER A 42 -7.502 -15.124 3.388 1.00 31.22 C ATOM 643 O SER A 42 -7.764 -16.151 2.751 1.00 21.12 O ATOM 644 CB SER A 42 -7.692 -15.581 5.889 1.00 34.52 C ATOM 645 OG SER A 42 -8.676 -14.584 6.101 1.00 13.05 O ATOM 0 H SER A 42 -6.304 -13.470 5.848 1.00 23.21 H new ATOM 0 HA SER A 42 -5.997 -16.016 4.633 1.00 61.11 H new ATOM 0 HB2 SER A 42 -8.180 -16.530 5.669 1.00 34.52 H new ATOM 0 HB3 SER A 42 -7.117 -15.723 6.804 1.00 34.52 H new ATOM 0 HG SER A 42 -8.393 -13.749 5.674 1.00 13.05 H new ATOM 651 N LEU A 43 -7.878 -13.892 2.979 1.00 13.05 N ATOM 652 CA LEU A 43 -8.443 -13.626 1.630 1.00 54.14 C ATOM 653 C LEU A 43 -7.383 -13.874 0.522 1.00 33.44 C ATOM 654 O LEU A 43 -7.674 -14.512 -0.487 1.00 22.22 O ATOM 655 CB LEU A 43 -8.984 -12.169 1.533 1.00 53.20 C ATOM 656 CG LEU A 43 -10.165 -11.796 2.487 1.00 63.32 C ATOM 657 CD1 LEU A 43 -10.542 -10.301 2.370 1.00 3.34 C ATOM 658 CD2 LEU A 43 -11.390 -12.705 2.251 1.00 13.54 C ATOM 0 H LEU A 43 -7.801 -13.060 3.564 1.00 13.05 H new ATOM 0 HA LEU A 43 -9.271 -14.318 1.477 1.00 54.14 H new ATOM 0 HB2 LEU A 43 -8.158 -11.485 1.730 1.00 53.20 H new ATOM 0 HB3 LEU A 43 -9.306 -11.993 0.507 1.00 53.20 H new ATOM 0 HG LEU A 43 -9.822 -11.966 3.508 1.00 63.32 H new ATOM 0 HD11 LEU A 43 -11.366 -10.080 3.048 1.00 3.34 H new ATOM 0 HD12 LEU A 43 -9.681 -9.687 2.633 1.00 3.34 H new ATOM 0 HD13 LEU A 43 -10.845 -10.081 1.346 1.00 3.34 H new ATOM 0 HD21 LEU A 43 -12.192 -12.418 2.931 1.00 13.54 H new ATOM 0 HD22 LEU A 43 -11.731 -12.596 1.221 1.00 13.54 H new ATOM 0 HD23 LEU A 43 -11.113 -13.743 2.434 1.00 13.54 H new ATOM 670 N LEU A 44 -6.148 -13.376 0.733 1.00 54.42 N ATOM 671 CA LEU A 44 -5.011 -13.593 -0.208 1.00 34.44 C ATOM 672 C LEU A 44 -4.608 -15.099 -0.258 1.00 52.20 C ATOM 673 O LEU A 44 -4.219 -15.620 -1.311 1.00 43.24 O ATOM 674 CB LEU A 44 -3.802 -12.702 0.215 1.00 0.41 C ATOM 675 CG LEU A 44 -2.560 -12.702 -0.736 1.00 23.53 C ATOM 676 CD1 LEU A 44 -2.925 -12.188 -2.144 1.00 40.11 C ATOM 677 CD2 LEU A 44 -1.386 -11.895 -0.124 1.00 32.42 C ATOM 0 H LEU A 44 -5.904 -12.816 1.550 1.00 54.42 H new ATOM 0 HA LEU A 44 -5.324 -13.306 -1.212 1.00 34.44 H new ATOM 0 HB2 LEU A 44 -4.155 -11.675 0.314 1.00 0.41 H new ATOM 0 HB3 LEU A 44 -3.473 -13.022 1.204 1.00 0.41 H new ATOM 0 HG LEU A 44 -2.229 -13.735 -0.845 1.00 23.53 H new ATOM 0 HD11 LEU A 44 -2.038 -12.202 -2.778 1.00 40.11 H new ATOM 0 HD12 LEU A 44 -3.691 -12.830 -2.578 1.00 40.11 H new ATOM 0 HD13 LEU A 44 -3.304 -11.168 -2.072 1.00 40.11 H new ATOM 0 HD21 LEU A 44 -0.537 -11.913 -0.807 1.00 32.42 H new ATOM 0 HD22 LEU A 44 -1.699 -10.864 0.039 1.00 32.42 H new ATOM 0 HD23 LEU A 44 -1.095 -12.340 0.827 1.00 32.42 H new ATOM 689 N ARG A 45 -4.743 -15.781 0.897 1.00 13.41 N ATOM 690 CA ARG A 45 -4.466 -17.232 1.041 1.00 5.02 C ATOM 691 C ARG A 45 -5.553 -18.097 0.356 1.00 61.24 C ATOM 692 O ARG A 45 -5.243 -19.102 -0.294 1.00 5.04 O ATOM 693 CB ARG A 45 -4.353 -17.597 2.547 1.00 42.05 C ATOM 694 CG ARG A 45 -3.134 -16.975 3.272 1.00 73.34 C ATOM 695 CD ARG A 45 -3.151 -17.214 4.792 1.00 4.42 C ATOM 696 NE ARG A 45 -1.970 -16.623 5.450 1.00 61.33 N ATOM 697 CZ ARG A 45 -1.894 -16.250 6.709 1.00 61.32 C ATOM 698 NH1 ARG A 45 -2.913 -16.347 7.508 1.00 10.42 N ATOM 699 NH2 ARG A 45 -0.775 -15.777 7.156 1.00 21.50 N ATOM 0 H ARG A 45 -5.049 -15.341 1.765 1.00 13.41 H new ATOM 0 HA ARG A 45 -3.520 -17.446 0.543 1.00 5.02 H new ATOM 0 HB2 ARG A 45 -5.263 -17.276 3.054 1.00 42.05 H new ATOM 0 HB3 ARG A 45 -4.301 -18.682 2.641 1.00 42.05 H new ATOM 0 HG2 ARG A 45 -2.218 -17.393 2.854 1.00 73.34 H new ATOM 0 HG3 ARG A 45 -3.112 -15.902 3.079 1.00 73.34 H new ATOM 0 HD2 ARG A 45 -4.058 -16.785 5.218 1.00 4.42 H new ATOM 0 HD3 ARG A 45 -3.181 -18.285 4.992 1.00 4.42 H new ATOM 0 HE ARG A 45 -1.137 -16.492 4.876 1.00 61.33 H new ATOM 0 HH11 ARG A 45 -3.798 -16.719 7.163 1.00 10.42 H new ATOM 0 HH12 ARG A 45 -2.829 -16.051 8.480 1.00 10.42 H new ATOM 0 HH21 ARG A 45 0.030 -15.698 6.535 1.00 21.50 H new ATOM 0 HH22 ARG A 45 -0.698 -15.483 8.130 1.00 21.50 H new ATOM 713 N GLY A 46 -6.822 -17.682 0.506 1.00 71.10 N ATOM 714 CA GLY A 46 -7.975 -18.404 -0.063 1.00 43.23 C ATOM 715 C GLY A 46 -8.257 -18.074 -1.536 1.00 23.23 C ATOM 716 O GLY A 46 -9.149 -18.668 -2.143 1.00 43.21 O ATOM 0 H GLY A 46 -7.078 -16.841 1.023 1.00 71.10 H new ATOM 0 HA2 GLY A 46 -7.801 -19.476 0.031 1.00 43.23 H new ATOM 0 HA3 GLY A 46 -8.862 -18.172 0.526 1.00 43.23 H new ATOM 720 N GLY A 47 -7.478 -17.137 -2.117 1.00 52.14 N ATOM 721 CA GLY A 47 -7.678 -16.701 -3.513 1.00 23.25 C ATOM 722 C GLY A 47 -8.892 -15.792 -3.711 1.00 54.53 C ATOM 723 O GLY A 47 -9.424 -15.679 -4.821 1.00 52.12 O ATOM 0 H GLY A 47 -6.707 -16.669 -1.641 1.00 52.14 H new ATOM 0 HA2 GLY A 47 -6.784 -16.176 -3.851 1.00 23.25 H new ATOM 0 HA3 GLY A 47 -7.789 -17.581 -4.146 1.00 23.25 H new ATOM 727 N GLU A 48 -9.334 -15.147 -2.622 1.00 2.45 N ATOM 728 CA GLU A 48 -10.461 -14.196 -2.638 1.00 22.03 C ATOM 729 C GLU A 48 -10.035 -12.791 -3.136 1.00 51.45 C ATOM 730 O GLU A 48 -10.829 -12.097 -3.785 1.00 44.04 O ATOM 731 CB GLU A 48 -11.056 -14.105 -1.212 1.00 54.32 C ATOM 732 CG GLU A 48 -11.529 -15.452 -0.619 1.00 30.12 C ATOM 733 CD GLU A 48 -12.733 -16.055 -1.367 1.00 14.34 C ATOM 734 OE1 GLU A 48 -13.881 -15.651 -1.078 1.00 71.23 O ATOM 735 OE2 GLU A 48 -12.535 -16.917 -2.255 1.00 44.11 O ATOM 0 H GLU A 48 -8.919 -15.269 -1.698 1.00 2.45 H new ATOM 0 HA GLU A 48 -11.211 -14.563 -3.338 1.00 22.03 H new ATOM 0 HB2 GLU A 48 -10.306 -13.675 -0.548 1.00 54.32 H new ATOM 0 HB3 GLU A 48 -11.900 -13.415 -1.229 1.00 54.32 H new ATOM 0 HG2 GLU A 48 -10.702 -16.162 -0.642 1.00 30.12 H new ATOM 0 HG3 GLU A 48 -11.795 -15.307 0.428 1.00 30.12 H new ATOM 742 N ILE A 49 -8.787 -12.370 -2.822 1.00 64.04 N ATOM 743 CA ILE A 49 -8.178 -11.118 -3.356 1.00 21.22 C ATOM 744 C ILE A 49 -6.785 -11.408 -3.975 1.00 71.44 C ATOM 745 O ILE A 49 -6.173 -12.452 -3.701 1.00 5.12 O ATOM 746 CB ILE A 49 -8.039 -9.977 -2.260 1.00 72.43 C ATOM 747 CG1 ILE A 49 -7.000 -10.359 -1.147 1.00 12.22 C ATOM 748 CG2 ILE A 49 -9.422 -9.624 -1.646 1.00 71.12 C ATOM 749 CD1 ILE A 49 -6.729 -9.273 -0.108 1.00 44.15 C ATOM 0 H ILE A 49 -8.171 -12.884 -2.193 1.00 64.04 H new ATOM 0 HA ILE A 49 -8.860 -10.754 -4.124 1.00 21.22 H new ATOM 0 HB ILE A 49 -7.657 -9.088 -2.761 1.00 72.43 H new ATOM 0 HG12 ILE A 49 -7.356 -11.251 -0.632 1.00 12.22 H new ATOM 0 HG13 ILE A 49 -6.058 -10.623 -1.627 1.00 12.22 H new ATOM 0 HG21 ILE A 49 -9.299 -8.840 -0.898 1.00 71.12 H new ATOM 0 HG22 ILE A 49 -10.090 -9.274 -2.432 1.00 71.12 H new ATOM 0 HG23 ILE A 49 -9.848 -10.510 -1.176 1.00 71.12 H new ATOM 0 HD11 ILE A 49 -5.999 -9.636 0.615 1.00 44.15 H new ATOM 0 HD12 ILE A 49 -6.338 -8.384 -0.604 1.00 44.15 H new ATOM 0 HD13 ILE A 49 -7.656 -9.023 0.407 1.00 44.15 H new ATOM 761 N SER A 50 -6.307 -10.479 -4.819 1.00 20.11 N ATOM 762 CA SER A 50 -4.927 -10.505 -5.365 1.00 31.23 C ATOM 763 C SER A 50 -3.976 -9.603 -4.538 1.00 14.05 C ATOM 764 O SER A 50 -4.413 -8.868 -3.647 1.00 24.44 O ATOM 765 CB SER A 50 -4.933 -10.085 -6.849 1.00 23.14 C ATOM 766 OG SER A 50 -5.440 -8.777 -7.024 1.00 30.32 O ATOM 0 H SER A 50 -6.860 -9.687 -5.146 1.00 20.11 H new ATOM 0 HA SER A 50 -4.552 -11.526 -5.294 1.00 31.23 H new ATOM 0 HB2 SER A 50 -3.919 -10.137 -7.245 1.00 23.14 H new ATOM 0 HB3 SER A 50 -5.536 -10.788 -7.423 1.00 23.14 H new ATOM 0 HG SER A 50 -4.709 -8.173 -7.271 1.00 30.32 H new ATOM 772 N VAL A 51 -2.669 -9.683 -4.857 1.00 41.41 N ATOM 773 CA VAL A 51 -1.577 -9.039 -4.074 1.00 73.15 C ATOM 774 C VAL A 51 -1.724 -7.508 -3.943 1.00 61.41 C ATOM 775 O VAL A 51 -1.592 -6.968 -2.850 1.00 60.01 O ATOM 776 CB VAL A 51 -0.192 -9.363 -4.731 1.00 30.34 C ATOM 777 CG1 VAL A 51 0.990 -8.600 -4.060 1.00 73.41 C ATOM 778 CG2 VAL A 51 0.060 -10.891 -4.725 1.00 23.15 C ATOM 0 H VAL A 51 -2.331 -10.198 -5.670 1.00 41.41 H new ATOM 0 HA VAL A 51 -1.642 -9.452 -3.067 1.00 73.15 H new ATOM 0 HB VAL A 51 -0.237 -9.012 -5.762 1.00 30.34 H new ATOM 0 HG11 VAL A 51 1.923 -8.865 -4.557 1.00 73.41 H new ATOM 0 HG12 VAL A 51 0.825 -7.526 -4.146 1.00 73.41 H new ATOM 0 HG13 VAL A 51 1.050 -8.875 -3.007 1.00 73.41 H new ATOM 0 HG21 VAL A 51 1.026 -11.102 -5.184 1.00 23.15 H new ATOM 0 HG22 VAL A 51 0.059 -11.256 -3.698 1.00 23.15 H new ATOM 0 HG23 VAL A 51 -0.727 -11.392 -5.289 1.00 23.15 H new ATOM 788 N ARG A 52 -1.990 -6.838 -5.069 1.00 50.14 N ATOM 789 CA ARG A 52 -2.112 -5.360 -5.140 1.00 65.32 C ATOM 790 C ARG A 52 -3.259 -4.830 -4.234 1.00 73.22 C ATOM 791 O ARG A 52 -3.145 -3.761 -3.619 1.00 62.22 O ATOM 792 CB ARG A 52 -2.363 -4.952 -6.605 1.00 73.53 C ATOM 793 CG ARG A 52 -2.398 -3.432 -6.872 1.00 14.25 C ATOM 794 CD ARG A 52 -3.047 -3.085 -8.221 1.00 3.04 C ATOM 795 NE ARG A 52 -4.424 -3.620 -8.278 1.00 73.43 N ATOM 796 CZ ARG A 52 -5.525 -2.911 -8.469 1.00 21.34 C ATOM 797 NH1 ARG A 52 -5.485 -1.644 -8.735 1.00 61.50 N ATOM 798 NH2 ARG A 52 -6.671 -3.492 -8.401 1.00 73.54 N ATOM 0 H ARG A 52 -2.129 -7.300 -5.968 1.00 50.14 H new ATOM 0 HA ARG A 52 -1.184 -4.918 -4.777 1.00 65.32 H new ATOM 0 HB2 ARG A 52 -1.585 -5.395 -7.226 1.00 73.53 H new ATOM 0 HB3 ARG A 52 -3.311 -5.382 -6.927 1.00 73.53 H new ATOM 0 HG2 ARG A 52 -2.948 -2.938 -6.071 1.00 14.25 H new ATOM 0 HG3 ARG A 52 -1.381 -3.039 -6.850 1.00 14.25 H new ATOM 0 HD2 ARG A 52 -3.063 -2.004 -8.357 1.00 3.04 H new ATOM 0 HD3 ARG A 52 -2.454 -3.500 -9.036 1.00 3.04 H new ATOM 0 HE ARG A 52 -4.536 -4.627 -8.159 1.00 73.43 H new ATOM 0 HH11 ARG A 52 -4.587 -1.165 -8.802 1.00 61.50 H new ATOM 0 HH12 ARG A 52 -6.352 -1.125 -8.877 1.00 61.50 H new ATOM 0 HH21 ARG A 52 -6.725 -4.491 -8.201 1.00 73.54 H new ATOM 0 HH22 ARG A 52 -7.525 -2.954 -8.547 1.00 73.54 H new ATOM 812 N ASP A 53 -4.351 -5.611 -4.161 1.00 13.03 N ATOM 813 CA ASP A 53 -5.512 -5.321 -3.294 1.00 13.54 C ATOM 814 C ASP A 53 -5.143 -5.496 -1.792 1.00 22.51 C ATOM 815 O ASP A 53 -5.705 -4.827 -0.916 1.00 53.53 O ATOM 816 CB ASP A 53 -6.691 -6.250 -3.683 1.00 15.41 C ATOM 817 CG ASP A 53 -8.019 -5.816 -3.053 1.00 2.43 C ATOM 818 OD1 ASP A 53 -8.748 -5.017 -3.676 1.00 24.23 O ATOM 819 OD2 ASP A 53 -8.326 -6.237 -1.921 1.00 24.32 O ATOM 0 H ASP A 53 -4.456 -6.468 -4.705 1.00 13.03 H new ATOM 0 HA ASP A 53 -5.812 -4.283 -3.440 1.00 13.54 H new ATOM 0 HB2 ASP A 53 -6.795 -6.263 -4.768 1.00 15.41 H new ATOM 0 HB3 ASP A 53 -6.462 -7.270 -3.373 1.00 15.41 H new ATOM 824 N PHE A 54 -4.207 -6.418 -1.516 1.00 14.31 N ATOM 825 CA PHE A 54 -3.645 -6.624 -0.164 1.00 2.31 C ATOM 826 C PHE A 54 -2.652 -5.480 0.216 1.00 30.33 C ATOM 827 O PHE A 54 -2.598 -5.067 1.377 1.00 60.21 O ATOM 828 CB PHE A 54 -2.974 -8.023 -0.075 1.00 5.54 C ATOM 829 CG PHE A 54 -2.424 -8.368 1.309 1.00 54.42 C ATOM 830 CD1 PHE A 54 -3.283 -8.572 2.388 1.00 23.54 C ATOM 831 CD2 PHE A 54 -1.054 -8.474 1.537 1.00 11.00 C ATOM 832 CE1 PHE A 54 -2.786 -8.867 3.642 1.00 72.23 C ATOM 833 CE2 PHE A 54 -0.561 -8.770 2.791 1.00 63.40 C ATOM 834 CZ PHE A 54 -1.426 -8.964 3.843 1.00 74.42 C ATOM 0 H PHE A 54 -3.816 -7.043 -2.221 1.00 14.31 H new ATOM 0 HA PHE A 54 -4.458 -6.590 0.562 1.00 2.31 H new ATOM 0 HB2 PHE A 54 -3.702 -8.781 -0.364 1.00 5.54 H new ATOM 0 HB3 PHE A 54 -2.160 -8.070 -0.799 1.00 5.54 H new ATOM 0 HD1 PHE A 54 -4.350 -8.498 2.241 1.00 23.54 H new ATOM 0 HD2 PHE A 54 -0.366 -8.322 0.718 1.00 11.00 H new ATOM 0 HE1 PHE A 54 -3.465 -9.022 4.468 1.00 72.23 H new ATOM 0 HE2 PHE A 54 0.505 -8.849 2.947 1.00 63.40 H new ATOM 0 HZ PHE A 54 -1.040 -9.192 4.825 1.00 74.42 H new ATOM 844 N VAL A 55 -1.880 -4.972 -0.779 1.00 21.33 N ATOM 845 CA VAL A 55 -0.994 -3.779 -0.606 1.00 51.31 C ATOM 846 C VAL A 55 -1.846 -2.538 -0.240 1.00 35.23 C ATOM 847 O VAL A 55 -1.451 -1.700 0.587 1.00 44.31 O ATOM 848 CB VAL A 55 -0.136 -3.496 -1.908 1.00 23.02 C ATOM 849 CG1 VAL A 55 0.781 -2.254 -1.745 1.00 41.12 C ATOM 850 CG2 VAL A 55 0.709 -4.733 -2.311 1.00 64.40 C ATOM 0 H VAL A 55 -1.850 -5.370 -1.718 1.00 21.33 H new ATOM 0 HA VAL A 55 -0.298 -3.990 0.206 1.00 51.31 H new ATOM 0 HB VAL A 55 -0.847 -3.285 -2.707 1.00 23.02 H new ATOM 0 HG11 VAL A 55 1.350 -2.099 -2.662 1.00 41.12 H new ATOM 0 HG12 VAL A 55 0.170 -1.374 -1.544 1.00 41.12 H new ATOM 0 HG13 VAL A 55 1.468 -2.416 -0.915 1.00 41.12 H new ATOM 0 HG21 VAL A 55 1.285 -4.504 -3.208 1.00 64.40 H new ATOM 0 HG22 VAL A 55 1.389 -4.989 -1.499 1.00 64.40 H new ATOM 0 HG23 VAL A 55 0.048 -5.576 -2.510 1.00 64.40 H new ATOM 860 N ARG A 56 -3.034 -2.472 -0.862 1.00 23.24 N ATOM 861 CA ARG A 56 -4.079 -1.486 -0.537 1.00 22.24 C ATOM 862 C ARG A 56 -4.549 -1.630 0.924 1.00 71.55 C ATOM 863 O ARG A 56 -4.519 -0.667 1.680 1.00 13.11 O ATOM 864 CB ARG A 56 -5.277 -1.684 -1.500 1.00 32.11 C ATOM 865 CG ARG A 56 -6.412 -0.653 -1.358 1.00 63.04 C ATOM 866 CD ARG A 56 -7.577 -0.918 -2.334 1.00 75.22 C ATOM 867 NE ARG A 56 -8.236 -2.217 -2.083 1.00 14.14 N ATOM 868 CZ ARG A 56 -9.439 -2.378 -1.566 1.00 63.42 C ATOM 869 NH1 ARG A 56 -10.190 -1.359 -1.265 1.00 13.52 N ATOM 870 NH2 ARG A 56 -9.888 -3.572 -1.368 1.00 13.23 N ATOM 0 H ARG A 56 -3.300 -3.109 -1.613 1.00 23.24 H new ATOM 0 HA ARG A 56 -3.665 -0.485 -0.656 1.00 22.24 H new ATOM 0 HB2 ARG A 56 -4.907 -1.654 -2.525 1.00 32.11 H new ATOM 0 HB3 ARG A 56 -5.690 -2.680 -1.339 1.00 32.11 H new ATOM 0 HG2 ARG A 56 -6.788 -0.670 -0.335 1.00 63.04 H new ATOM 0 HG3 ARG A 56 -6.015 0.347 -1.535 1.00 63.04 H new ATOM 0 HD2 ARG A 56 -8.311 -0.118 -2.245 1.00 75.22 H new ATOM 0 HD3 ARG A 56 -7.203 -0.895 -3.357 1.00 75.22 H new ATOM 0 HE ARG A 56 -7.717 -3.060 -2.330 1.00 14.14 H new ATOM 0 HH11 ARG A 56 -9.852 -0.411 -1.428 1.00 13.52 H new ATOM 0 HH12 ARG A 56 -11.117 -1.509 -0.866 1.00 13.52 H new ATOM 0 HH21 ARG A 56 -9.314 -4.379 -1.611 1.00 13.23 H new ATOM 0 HH22 ARG A 56 -10.817 -3.708 -0.969 1.00 13.23 H new ATOM 884 N ALA A 57 -4.945 -2.865 1.301 1.00 24.24 N ATOM 885 CA ALA A 57 -5.509 -3.182 2.638 1.00 32.34 C ATOM 886 C ALA A 57 -4.564 -2.791 3.805 1.00 43.21 C ATOM 887 O ALA A 57 -4.986 -2.142 4.764 1.00 34.01 O ATOM 888 CB ALA A 57 -5.849 -4.679 2.711 1.00 13.01 C ATOM 0 H ALA A 57 -4.884 -3.676 0.686 1.00 24.24 H new ATOM 0 HA ALA A 57 -6.412 -2.583 2.756 1.00 32.34 H new ATOM 0 HB1 ALA A 57 -6.263 -4.911 3.692 1.00 13.01 H new ATOM 0 HB2 ALA A 57 -6.581 -4.924 1.942 1.00 13.01 H new ATOM 0 HB3 ALA A 57 -4.944 -5.266 2.551 1.00 13.01 H new ATOM 894 N VAL A 58 -3.280 -3.174 3.691 1.00 65.11 N ATOM 895 CA VAL A 58 -2.249 -2.892 4.724 1.00 13.53 C ATOM 896 C VAL A 58 -1.929 -1.368 4.809 1.00 54.51 C ATOM 897 O VAL A 58 -1.562 -0.853 5.868 1.00 54.11 O ATOM 898 CB VAL A 58 -0.949 -3.750 4.466 1.00 24.34 C ATOM 899 CG1 VAL A 58 0.147 -3.495 5.534 1.00 54.03 C ATOM 900 CG2 VAL A 58 -1.294 -5.263 4.402 1.00 43.02 C ATOM 0 H VAL A 58 -2.921 -3.687 2.885 1.00 65.11 H new ATOM 0 HA VAL A 58 -2.653 -3.186 5.693 1.00 13.53 H new ATOM 0 HB VAL A 58 -0.546 -3.434 3.504 1.00 24.34 H new ATOM 0 HG11 VAL A 58 1.021 -4.108 5.313 1.00 54.03 H new ATOM 0 HG12 VAL A 58 0.430 -2.442 5.521 1.00 54.03 H new ATOM 0 HG13 VAL A 58 -0.238 -3.755 6.520 1.00 54.03 H new ATOM 0 HG21 VAL A 58 -0.384 -5.836 4.223 1.00 43.02 H new ATOM 0 HG22 VAL A 58 -1.740 -5.575 5.346 1.00 43.02 H new ATOM 0 HG23 VAL A 58 -2.000 -5.441 3.591 1.00 43.02 H new ATOM 910 N ALA A 59 -2.072 -0.653 3.681 1.00 11.50 N ATOM 911 CA ALA A 59 -1.996 0.830 3.655 1.00 23.53 C ATOM 912 C ALA A 59 -3.302 1.508 4.174 1.00 45.30 C ATOM 913 O ALA A 59 -3.283 2.669 4.594 1.00 51.23 O ATOM 914 CB ALA A 59 -1.660 1.302 2.246 1.00 73.34 C ATOM 0 H ALA A 59 -2.242 -1.074 2.768 1.00 11.50 H new ATOM 0 HA ALA A 59 -1.202 1.132 4.338 1.00 23.53 H new ATOM 0 HB1 ALA A 59 -1.605 2.390 2.230 1.00 73.34 H new ATOM 0 HB2 ALA A 59 -0.700 0.886 1.942 1.00 73.34 H new ATOM 0 HB3 ALA A 59 -2.435 0.968 1.556 1.00 73.34 H new ATOM 920 N LEU A 60 -4.429 0.759 4.142 1.00 42.04 N ATOM 921 CA LEU A 60 -5.732 1.193 4.717 1.00 62.14 C ATOM 922 C LEU A 60 -5.814 0.839 6.222 1.00 4.02 C ATOM 923 O LEU A 60 -6.812 1.143 6.888 1.00 4.21 O ATOM 924 CB LEU A 60 -6.935 0.538 3.961 1.00 61.32 C ATOM 925 CG LEU A 60 -7.156 0.970 2.474 1.00 71.55 C ATOM 926 CD1 LEU A 60 -8.383 0.255 1.852 1.00 62.23 C ATOM 927 CD2 LEU A 60 -7.279 2.501 2.353 1.00 22.43 C ATOM 0 H LEU A 60 -4.464 -0.167 3.716 1.00 42.04 H new ATOM 0 HA LEU A 60 -5.793 2.275 4.599 1.00 62.14 H new ATOM 0 HB2 LEU A 60 -6.802 -0.544 3.984 1.00 61.32 H new ATOM 0 HB3 LEU A 60 -7.846 0.759 4.517 1.00 61.32 H new ATOM 0 HG LEU A 60 -6.278 0.662 1.907 1.00 71.55 H new ATOM 0 HD11 LEU A 60 -8.507 0.578 0.819 1.00 62.23 H new ATOM 0 HD12 LEU A 60 -8.228 -0.824 1.879 1.00 62.23 H new ATOM 0 HD13 LEU A 60 -9.278 0.507 2.421 1.00 62.23 H new ATOM 0 HD21 LEU A 60 -7.432 2.772 1.308 1.00 22.43 H new ATOM 0 HD22 LEU A 60 -8.127 2.846 2.945 1.00 22.43 H new ATOM 0 HD23 LEU A 60 -6.366 2.969 2.720 1.00 22.43 H new ATOM 939 N SER A 61 -4.776 0.154 6.731 1.00 43.15 N ATOM 940 CA SER A 61 -4.675 -0.240 8.145 1.00 64.51 C ATOM 941 C SER A 61 -4.703 0.975 9.091 1.00 21.31 C ATOM 942 O SER A 61 -4.024 1.984 8.852 1.00 34.43 O ATOM 943 CB SER A 61 -3.377 -1.036 8.381 1.00 61.23 C ATOM 944 OG SER A 61 -3.307 -1.523 9.705 1.00 54.02 O ATOM 0 H SER A 61 -3.979 -0.143 6.169 1.00 43.15 H new ATOM 0 HA SER A 61 -5.543 -0.861 8.367 1.00 64.51 H new ATOM 0 HB2 SER A 61 -3.327 -1.870 7.681 1.00 61.23 H new ATOM 0 HB3 SER A 61 -2.516 -0.399 8.179 1.00 61.23 H new ATOM 0 HG SER A 61 -4.145 -1.979 9.931 1.00 54.02 H new ATOM 950 N GLU A 62 -5.492 0.852 10.171 1.00 35.53 N ATOM 951 CA GLU A 62 -5.523 1.845 11.260 1.00 22.24 C ATOM 952 C GLU A 62 -4.205 1.776 12.074 1.00 24.12 C ATOM 953 O GLU A 62 -3.783 2.762 12.654 1.00 12.40 O ATOM 954 CB GLU A 62 -6.781 1.632 12.156 1.00 4.23 C ATOM 955 CG GLU A 62 -6.938 2.628 13.333 1.00 10.15 C ATOM 956 CD GLU A 62 -6.869 4.113 12.909 1.00 45.44 C ATOM 957 OE1 GLU A 62 -7.771 4.585 12.176 1.00 35.44 O ATOM 958 OE2 GLU A 62 -5.921 4.827 13.316 1.00 50.44 O ATOM 0 H GLU A 62 -6.125 0.065 10.315 1.00 35.53 H new ATOM 0 HA GLU A 62 -5.598 2.847 10.837 1.00 22.24 H new ATOM 0 HB2 GLU A 62 -7.669 1.697 11.527 1.00 4.23 H new ATOM 0 HB3 GLU A 62 -6.750 0.620 12.561 1.00 4.23 H new ATOM 0 HG2 GLU A 62 -7.893 2.445 13.826 1.00 10.15 H new ATOM 0 HG3 GLU A 62 -6.157 2.433 14.068 1.00 10.15 H new ATOM 965 N LEU A 63 -3.558 0.589 12.079 1.00 43.33 N ATOM 966 CA LEU A 63 -2.197 0.398 12.652 1.00 42.30 C ATOM 967 C LEU A 63 -1.158 1.280 11.907 1.00 35.33 C ATOM 968 O LEU A 63 -0.309 1.922 12.531 1.00 13.31 O ATOM 969 CB LEU A 63 -1.787 -1.098 12.544 1.00 41.32 C ATOM 970 CG LEU A 63 -2.776 -2.127 13.178 1.00 11.50 C ATOM 971 CD1 LEU A 63 -2.360 -3.570 12.832 1.00 22.42 C ATOM 972 CD2 LEU A 63 -2.902 -1.924 14.709 1.00 10.54 C ATOM 0 H LEU A 63 -3.959 -0.264 11.689 1.00 43.33 H new ATOM 0 HA LEU A 63 -2.218 0.696 13.700 1.00 42.30 H new ATOM 0 HB2 LEU A 63 -1.664 -1.345 11.490 1.00 41.32 H new ATOM 0 HB3 LEU A 63 -0.813 -1.222 13.017 1.00 41.32 H new ATOM 0 HG LEU A 63 -3.762 -1.951 12.749 1.00 11.50 H new ATOM 0 HD11 LEU A 63 -3.063 -4.270 13.284 1.00 22.42 H new ATOM 0 HD12 LEU A 63 -2.364 -3.700 11.750 1.00 22.42 H new ATOM 0 HD13 LEU A 63 -1.359 -3.762 13.217 1.00 22.42 H new ATOM 0 HD21 LEU A 63 -3.598 -2.657 15.117 1.00 10.54 H new ATOM 0 HD22 LEU A 63 -1.925 -2.053 15.175 1.00 10.54 H new ATOM 0 HD23 LEU A 63 -3.272 -0.919 14.914 1.00 10.54 H new ATOM 984 N TYR A 64 -1.265 1.303 10.559 1.00 4.11 N ATOM 985 CA TYR A 64 -0.387 2.114 9.680 1.00 53.13 C ATOM 986 C TYR A 64 -0.672 3.631 9.849 1.00 3.24 C ATOM 987 O TYR A 64 0.266 4.436 9.936 1.00 44.31 O ATOM 988 CB TYR A 64 -0.564 1.681 8.192 1.00 54.40 C ATOM 989 CG TYR A 64 0.279 2.476 7.171 1.00 34.44 C ATOM 990 CD1 TYR A 64 1.669 2.538 7.276 1.00 3.32 C ATOM 991 CD2 TYR A 64 -0.315 3.171 6.108 1.00 54.11 C ATOM 992 CE1 TYR A 64 2.431 3.254 6.370 1.00 34.53 C ATOM 993 CE2 TYR A 64 0.448 3.886 5.196 1.00 70.45 C ATOM 994 CZ TYR A 64 1.822 3.923 5.333 1.00 23.44 C ATOM 995 OH TYR A 64 2.592 4.634 4.428 1.00 32.03 O ATOM 0 H TYR A 64 -1.962 0.761 10.049 1.00 4.11 H new ATOM 0 HA TYR A 64 0.647 1.936 9.974 1.00 53.13 H new ATOM 0 HB2 TYR A 64 -0.310 0.625 8.105 1.00 54.40 H new ATOM 0 HB3 TYR A 64 -1.616 1.779 7.925 1.00 54.40 H new ATOM 0 HD1 TYR A 64 2.161 2.015 8.083 1.00 3.32 H new ATOM 0 HD2 TYR A 64 -1.389 3.149 5.997 1.00 54.11 H new ATOM 0 HE1 TYR A 64 3.505 3.288 6.477 1.00 34.53 H new ATOM 0 HE2 TYR A 64 -0.030 4.411 4.383 1.00 70.45 H new ATOM 0 HH TYR A 64 3.489 4.241 4.382 1.00 32.03 H new ATOM 1005 N ARG A 65 -1.967 4.011 9.906 1.00 2.31 N ATOM 1006 CA ARG A 65 -2.360 5.426 10.069 1.00 41.12 C ATOM 1007 C ARG A 65 -1.939 5.970 11.454 1.00 74.03 C ATOM 1008 O ARG A 65 -1.318 7.013 11.545 1.00 5.12 O ATOM 1009 CB ARG A 65 -3.886 5.645 9.892 1.00 64.31 C ATOM 1010 CG ARG A 65 -4.271 7.151 9.811 1.00 53.22 C ATOM 1011 CD ARG A 65 -5.764 7.436 10.006 1.00 2.23 C ATOM 1012 NE ARG A 65 -6.209 7.134 11.377 1.00 11.53 N ATOM 1013 CZ ARG A 65 -6.648 8.009 12.263 1.00 5.41 C ATOM 1014 NH1 ARG A 65 -6.731 9.281 11.987 1.00 51.33 N ATOM 1015 NH2 ARG A 65 -7.003 7.590 13.429 1.00 31.01 N ATOM 0 H ARG A 65 -2.752 3.363 9.842 1.00 2.31 H new ATOM 0 HA ARG A 65 -1.838 5.971 9.282 1.00 41.12 H new ATOM 0 HB2 ARG A 65 -4.219 5.140 8.985 1.00 64.31 H new ATOM 0 HB3 ARG A 65 -4.414 5.183 10.726 1.00 64.31 H new ATOM 0 HG2 ARG A 65 -3.708 7.698 10.567 1.00 53.22 H new ATOM 0 HG3 ARG A 65 -3.963 7.540 8.840 1.00 53.22 H new ATOM 0 HD2 ARG A 65 -5.965 8.484 9.782 1.00 2.23 H new ATOM 0 HD3 ARG A 65 -6.342 6.842 9.298 1.00 2.23 H new ATOM 0 HE ARG A 65 -6.175 6.157 11.669 1.00 11.53 H new ATOM 0 HH11 ARG A 65 -6.453 9.622 11.067 1.00 51.33 H new ATOM 0 HH12 ARG A 65 -7.074 9.934 12.691 1.00 51.33 H new ATOM 0 HH21 ARG A 65 -6.942 6.597 13.654 1.00 31.01 H new ATOM 0 HH22 ARG A 65 -7.345 8.251 14.126 1.00 31.01 H new ATOM 1029 N GLU A 66 -2.271 5.234 12.522 1.00 44.22 N ATOM 1030 CA GLU A 66 -2.043 5.685 13.917 1.00 70.13 C ATOM 1031 C GLU A 66 -0.528 5.921 14.173 1.00 12.51 C ATOM 1032 O GLU A 66 -0.123 6.989 14.630 1.00 43.25 O ATOM 1033 CB GLU A 66 -2.645 4.639 14.916 1.00 3.33 C ATOM 1034 CG GLU A 66 -3.080 5.178 16.304 1.00 40.55 C ATOM 1035 CD GLU A 66 -1.936 5.732 17.170 1.00 21.20 C ATOM 1036 OE1 GLU A 66 -1.087 4.932 17.626 1.00 1.43 O ATOM 1037 OE2 GLU A 66 -1.857 6.967 17.372 1.00 14.30 O ATOM 0 H GLU A 66 -2.703 4.313 12.454 1.00 44.22 H new ATOM 0 HA GLU A 66 -2.550 6.637 14.077 1.00 70.13 H new ATOM 0 HB2 GLU A 66 -3.511 4.175 14.444 1.00 3.33 H new ATOM 0 HB3 GLU A 66 -1.907 3.852 15.072 1.00 3.33 H new ATOM 0 HG2 GLU A 66 -3.819 5.966 16.157 1.00 40.55 H new ATOM 0 HG3 GLU A 66 -3.574 4.375 16.851 1.00 40.55 H new ATOM 1044 N LYS A 67 0.287 4.933 13.787 1.00 60.40 N ATOM 1045 CA LYS A 67 1.751 4.938 14.007 1.00 14.21 C ATOM 1046 C LYS A 67 2.489 6.007 13.147 1.00 24.11 C ATOM 1047 O LYS A 67 3.287 6.780 13.664 1.00 45.41 O ATOM 1048 CB LYS A 67 2.282 3.502 13.730 1.00 42.15 C ATOM 1049 CG LYS A 67 3.808 3.292 13.864 1.00 5.53 C ATOM 1050 CD LYS A 67 4.209 1.796 13.729 1.00 52.31 C ATOM 1051 CE LYS A 67 5.734 1.585 13.650 1.00 61.12 C ATOM 1052 NZ LYS A 67 6.454 2.144 14.823 1.00 3.11 N ATOM 0 H LYS A 67 -0.047 4.097 13.308 1.00 60.40 H new ATOM 0 HA LYS A 67 1.955 5.220 15.040 1.00 14.21 H new ATOM 0 HB2 LYS A 67 1.782 2.816 14.414 1.00 42.15 H new ATOM 0 HB3 LYS A 67 1.986 3.218 12.720 1.00 42.15 H new ATOM 0 HG2 LYS A 67 4.322 3.875 13.099 1.00 5.53 H new ATOM 0 HG3 LYS A 67 4.142 3.670 14.830 1.00 5.53 H new ATOM 0 HD2 LYS A 67 3.815 1.242 14.581 1.00 52.31 H new ATOM 0 HD3 LYS A 67 3.744 1.380 12.835 1.00 52.31 H new ATOM 0 HE2 LYS A 67 5.945 0.518 13.574 1.00 61.12 H new ATOM 0 HE3 LYS A 67 6.114 2.050 12.741 1.00 61.12 H new ATOM 0 HZ1 LYS A 67 7.473 1.959 14.725 1.00 3.11 H new ATOM 0 HZ2 LYS A 67 6.292 3.170 14.873 1.00 3.11 H new ATOM 0 HZ3 LYS A 67 6.102 1.695 15.693 1.00 3.11 H new ATOM 1066 N PHE A 68 2.202 6.066 11.838 1.00 52.22 N ATOM 1067 CA PHE A 68 2.973 6.931 10.891 1.00 53.40 C ATOM 1068 C PHE A 68 2.357 8.344 10.668 1.00 52.52 C ATOM 1069 O PHE A 68 3.029 9.221 10.123 1.00 14.21 O ATOM 1070 CB PHE A 68 3.166 6.177 9.554 1.00 62.42 C ATOM 1071 CG PHE A 68 4.012 4.915 9.698 1.00 72.04 C ATOM 1072 CD1 PHE A 68 5.401 4.966 9.578 1.00 73.21 C ATOM 1073 CD2 PHE A 68 3.425 3.684 9.973 1.00 63.05 C ATOM 1074 CE1 PHE A 68 6.165 3.827 9.731 1.00 63.23 C ATOM 1075 CE2 PHE A 68 4.189 2.550 10.129 1.00 50.54 C ATOM 1076 CZ PHE A 68 5.557 2.622 10.006 1.00 54.35 C ATOM 0 H PHE A 68 1.450 5.535 11.400 1.00 52.22 H new ATOM 0 HA PHE A 68 3.941 7.126 11.352 1.00 53.40 H new ATOM 0 HB2 PHE A 68 2.190 5.909 9.150 1.00 62.42 H new ATOM 0 HB3 PHE A 68 3.638 6.844 8.832 1.00 62.42 H new ATOM 0 HD1 PHE A 68 5.884 5.908 9.363 1.00 73.21 H new ATOM 0 HD2 PHE A 68 2.351 3.617 10.066 1.00 63.05 H new ATOM 0 HE1 PHE A 68 7.239 3.880 9.635 1.00 63.23 H new ATOM 0 HE2 PHE A 68 3.715 1.605 10.348 1.00 50.54 H new ATOM 0 HZ PHE A 68 6.156 1.731 10.125 1.00 54.35 H new ATOM 1086 N PHE A 69 1.079 8.550 11.024 1.00 41.51 N ATOM 1087 CA PHE A 69 0.444 9.903 11.005 1.00 20.14 C ATOM 1088 C PHE A 69 0.558 10.644 12.370 1.00 61.25 C ATOM 1089 O PHE A 69 0.761 11.862 12.395 1.00 55.02 O ATOM 1090 CB PHE A 69 -1.038 9.810 10.543 1.00 12.13 C ATOM 1091 CG PHE A 69 -1.836 11.118 10.614 1.00 13.24 C ATOM 1092 CD1 PHE A 69 -1.482 12.215 9.835 1.00 21.41 C ATOM 1093 CD2 PHE A 69 -2.940 11.250 11.462 1.00 61.34 C ATOM 1094 CE1 PHE A 69 -2.196 13.394 9.903 1.00 61.43 C ATOM 1095 CE2 PHE A 69 -3.655 12.431 11.526 1.00 4.32 C ATOM 1096 CZ PHE A 69 -3.281 13.504 10.747 1.00 31.51 C ATOM 0 H PHE A 69 0.454 7.804 11.331 1.00 41.51 H new ATOM 0 HA PHE A 69 1.000 10.500 10.282 1.00 20.14 H new ATOM 0 HB2 PHE A 69 -1.058 9.448 9.515 1.00 12.13 H new ATOM 0 HB3 PHE A 69 -1.544 9.062 11.154 1.00 12.13 H new ATOM 0 HD1 PHE A 69 -0.636 12.143 9.167 1.00 21.41 H new ATOM 0 HD2 PHE A 69 -3.239 10.415 12.078 1.00 61.34 H new ATOM 0 HE1 PHE A 69 -1.903 14.235 9.292 1.00 61.43 H new ATOM 0 HE2 PHE A 69 -4.506 12.513 12.186 1.00 4.32 H new ATOM 0 HZ PHE A 69 -3.836 14.429 10.797 1.00 31.51 H new ATOM 1106 N HIS A 70 0.372 9.930 13.505 1.00 4.41 N ATOM 1107 CA HIS A 70 0.350 10.582 14.851 1.00 43.25 C ATOM 1108 C HIS A 70 1.743 10.604 15.544 1.00 12.03 C ATOM 1109 O HIS A 70 2.078 11.579 16.224 1.00 50.43 O ATOM 1110 CB HIS A 70 -0.702 9.911 15.768 1.00 20.15 C ATOM 1111 CG HIS A 70 -2.123 10.024 15.268 1.00 23.10 C ATOM 1112 ND1 HIS A 70 -2.884 9.184 14.529 1.00 31.31 N flip ATOM 1113 CD2 HIS A 70 -2.925 11.110 15.535 1.00 62.13 C flip ATOM 1114 CE1 HIS A 70 -4.117 9.772 14.372 1.00 21.31 C flip ATOM 1115 NE2 HIS A 70 -4.108 10.933 14.990 1.00 5.52 N flip ATOM 0 H HIS A 70 0.236 8.919 13.525 1.00 4.41 H new ATOM 0 HA HIS A 70 0.070 11.622 14.684 1.00 43.25 H new ATOM 0 HB2 HIS A 70 -0.451 8.856 15.879 1.00 20.15 H new ATOM 0 HB3 HIS A 70 -0.641 10.359 16.760 1.00 20.15 H new ATOM 0 HD2 HIS A 70 -2.627 11.977 16.106 1.00 62.13 H new ATOM 0 HE1 HIS A 70 -4.952 9.351 13.832 1.00 21.31 H new ATOM 0 HE2 HIS A 70 -4.889 11.587 15.038 1.00 5.52 H new ATOM 1124 N ASN A 71 2.548 9.533 15.385 1.00 42.23 N ATOM 1125 CA ASN A 71 3.927 9.464 15.969 1.00 52.42 C ATOM 1126 C ASN A 71 4.979 10.086 15.003 1.00 71.22 C ATOM 1127 O ASN A 71 6.103 10.408 15.404 1.00 21.14 O ATOM 1128 CB ASN A 71 4.271 7.989 16.317 1.00 24.21 C ATOM 1129 CG ASN A 71 5.587 7.804 17.072 1.00 53.25 C ATOM 1130 OD1 ASN A 71 6.642 7.628 16.473 1.00 21.14 O ATOM 1131 ND2 ASN A 71 5.542 7.843 18.388 1.00 24.14 N ATOM 0 H ASN A 71 2.279 8.701 14.861 1.00 42.23 H new ATOM 0 HA ASN A 71 3.954 10.052 16.886 1.00 52.42 H new ATOM 0 HB2 ASN A 71 3.462 7.573 16.917 1.00 24.21 H new ATOM 0 HB3 ASN A 71 4.313 7.412 15.393 1.00 24.21 H new ATOM 0 HD21 ASN A 71 6.397 7.725 18.931 1.00 24.14 H new ATOM 0 HD22 ASN A 71 4.652 7.991 18.864 1.00 24.14 H new ATOM 1138 N ASN A 72 4.582 10.270 13.738 1.00 53.42 N ATOM 1139 CA ASN A 72 5.413 10.888 12.674 1.00 61.44 C ATOM 1140 C ASN A 72 4.646 12.082 12.049 1.00 32.44 C ATOM 1141 O ASN A 72 3.421 12.131 12.109 1.00 55.31 O ATOM 1142 CB ASN A 72 5.746 9.811 11.601 1.00 73.44 C ATOM 1143 CG ASN A 72 6.537 10.321 10.394 1.00 41.45 C ATOM 1144 OD1 ASN A 72 7.440 11.147 10.528 1.00 0.42 O ATOM 1145 ND2 ASN A 72 6.165 9.883 9.202 1.00 43.25 N ATOM 0 H ASN A 72 3.657 9.991 13.409 1.00 53.42 H new ATOM 0 HA ASN A 72 6.347 11.264 13.092 1.00 61.44 H new ATOM 0 HB2 ASN A 72 6.313 9.010 12.076 1.00 73.44 H new ATOM 0 HB3 ASN A 72 4.813 9.373 11.246 1.00 73.44 H new ATOM 0 HD21 ASN A 72 6.630 10.230 8.363 1.00 43.25 H new ATOM 0 HD22 ASN A 72 5.413 9.198 9.122 1.00 43.25 H new ATOM 1152 N ALA A 73 5.380 13.045 11.456 1.00 1.52 N ATOM 1153 CA ALA A 73 4.783 14.234 10.796 1.00 15.11 C ATOM 1154 C ALA A 73 4.039 13.829 9.497 1.00 33.42 C ATOM 1155 O ALA A 73 4.531 12.978 8.755 1.00 12.34 O ATOM 1156 CB ALA A 73 5.880 15.271 10.494 1.00 30.00 C ATOM 0 H ALA A 73 6.399 13.025 11.419 1.00 1.52 H new ATOM 0 HA ALA A 73 4.054 14.680 11.473 1.00 15.11 H new ATOM 0 HB1 ALA A 73 5.435 16.141 10.010 1.00 30.00 H new ATOM 0 HB2 ALA A 73 6.357 15.578 11.425 1.00 30.00 H new ATOM 0 HB3 ALA A 73 6.626 14.830 9.833 1.00 30.00 H new ATOM 1162 N HIS A 74 2.852 14.431 9.238 1.00 65.15 N ATOM 1163 CA HIS A 74 1.998 14.064 8.079 1.00 64.33 C ATOM 1164 C HIS A 74 2.711 14.281 6.720 1.00 70.13 C ATOM 1165 O HIS A 74 2.605 13.443 5.830 1.00 12.11 O ATOM 1166 CB HIS A 74 0.657 14.834 8.091 1.00 51.20 C ATOM 1167 CG HIS A 74 -0.256 14.445 6.943 1.00 22.23 C ATOM 1168 ND1 HIS A 74 -0.785 15.374 6.086 1.00 75.30 N ATOM 1169 CD2 HIS A 74 -0.634 13.205 6.527 1.00 54.14 C ATOM 1170 CE1 HIS A 74 -1.453 14.685 5.182 1.00 15.03 C ATOM 1171 NE2 HIS A 74 -1.389 13.372 5.407 1.00 73.11 N ATOM 0 H HIS A 74 2.463 15.175 9.817 1.00 65.15 H new ATOM 0 HA HIS A 74 1.796 12.998 8.186 1.00 64.33 H new ATOM 0 HB2 HIS A 74 0.145 14.648 9.035 1.00 51.20 H new ATOM 0 HB3 HIS A 74 0.858 15.904 8.043 1.00 51.20 H new ATOM 0 HD2 HIS A 74 -0.382 12.266 6.997 1.00 54.14 H new ATOM 0 HE1 HIS A 74 -1.989 15.131 4.357 1.00 15.03 H new ATOM 0 HE2 HIS A 74 -1.822 12.636 4.848 1.00 73.11 H new ATOM 1179 N ASN A 75 3.422 15.412 6.576 1.00 40.05 N ATOM 1180 CA ASN A 75 4.232 15.711 5.363 1.00 54.23 C ATOM 1181 C ASN A 75 5.263 14.571 5.086 1.00 5.01 C ATOM 1182 O ASN A 75 5.457 14.153 3.936 1.00 21.23 O ATOM 1183 CB ASN A 75 4.932 17.082 5.543 1.00 24.34 C ATOM 1184 CG ASN A 75 5.838 17.483 4.372 1.00 62.10 C ATOM 1185 OD1 ASN A 75 5.417 18.163 3.439 1.00 14.52 O ATOM 1186 ND2 ASN A 75 7.087 17.060 4.417 1.00 74.41 N ATOM 0 H ASN A 75 3.458 16.144 7.285 1.00 40.05 H new ATOM 0 HA ASN A 75 3.577 15.764 4.494 1.00 54.23 H new ATOM 0 HB2 ASN A 75 4.171 17.851 5.679 1.00 24.34 H new ATOM 0 HB3 ASN A 75 5.527 17.057 6.456 1.00 24.34 H new ATOM 0 HD21 ASN A 75 7.733 17.296 3.664 1.00 74.41 H new ATOM 0 HD22 ASN A 75 7.407 16.497 5.205 1.00 74.41 H new ATOM 1193 N ARG A 76 5.873 14.056 6.172 1.00 25.15 N ATOM 1194 CA ARG A 76 6.813 12.912 6.114 1.00 63.34 C ATOM 1195 C ARG A 76 6.058 11.581 5.817 1.00 73.41 C ATOM 1196 O ARG A 76 6.585 10.703 5.143 1.00 11.15 O ATOM 1197 CB ARG A 76 7.589 12.786 7.454 1.00 40.15 C ATOM 1198 CG ARG A 76 8.863 11.907 7.385 1.00 53.01 C ATOM 1199 CD ARG A 76 9.994 12.595 6.591 1.00 0.50 C ATOM 1200 NE ARG A 76 10.389 13.873 7.223 1.00 4.02 N ATOM 1201 CZ ARG A 76 10.886 14.925 6.609 1.00 12.33 C ATOM 1202 NH1 ARG A 76 11.045 14.951 5.329 1.00 4.34 N ATOM 1203 NH2 ARG A 76 11.199 15.968 7.299 1.00 31.34 N ATOM 0 H ARG A 76 5.730 14.419 7.114 1.00 25.15 H new ATOM 0 HA ARG A 76 7.518 13.098 5.304 1.00 63.34 H new ATOM 0 HB2 ARG A 76 7.871 13.784 7.790 1.00 40.15 H new ATOM 0 HB3 ARG A 76 6.919 12.373 8.208 1.00 40.15 H new ATOM 0 HG2 ARG A 76 9.209 11.689 8.395 1.00 53.01 H new ATOM 0 HG3 ARG A 76 8.621 10.952 6.918 1.00 53.01 H new ATOM 0 HD2 ARG A 76 10.857 11.932 6.534 1.00 0.50 H new ATOM 0 HD3 ARG A 76 9.665 12.778 5.568 1.00 0.50 H new ATOM 0 HE ARG A 76 10.264 13.945 8.233 1.00 4.02 H new ATOM 0 HH11 ARG A 76 10.783 14.142 4.766 1.00 4.34 H new ATOM 0 HH12 ARG A 76 11.433 15.781 4.880 1.00 4.34 H new ATOM 0 HH21 ARG A 76 11.060 15.971 8.310 1.00 31.34 H new ATOM 0 HH22 ARG A 76 11.585 16.790 6.834 1.00 31.34 H new ATOM 1217 N PHE A 77 4.816 11.456 6.345 1.00 53.50 N ATOM 1218 CA PHE A 77 3.911 10.293 6.102 1.00 71.04 C ATOM 1219 C PHE A 77 3.524 10.183 4.605 1.00 11.14 C ATOM 1220 O PHE A 77 3.316 9.084 4.095 1.00 35.11 O ATOM 1221 CB PHE A 77 2.639 10.421 7.000 1.00 22.24 C ATOM 1222 CG PHE A 77 1.506 9.429 6.701 1.00 11.00 C ATOM 1223 CD1 PHE A 77 1.611 8.090 7.063 1.00 60.20 C ATOM 1224 CD2 PHE A 77 0.338 9.835 6.047 1.00 21.34 C ATOM 1225 CE1 PHE A 77 0.596 7.191 6.790 1.00 62.12 C ATOM 1226 CE2 PHE A 77 -0.676 8.937 5.771 1.00 25.41 C ATOM 1227 CZ PHE A 77 -0.547 7.615 6.143 1.00 13.21 C ATOM 0 H PHE A 77 4.406 12.162 6.957 1.00 53.50 H new ATOM 0 HA PHE A 77 4.441 9.378 6.366 1.00 71.04 H new ATOM 0 HB2 PHE A 77 2.939 10.298 8.041 1.00 22.24 H new ATOM 0 HB3 PHE A 77 2.246 11.433 6.899 1.00 22.24 H new ATOM 0 HD1 PHE A 77 2.502 7.746 7.567 1.00 60.20 H new ATOM 0 HD2 PHE A 77 0.227 10.868 5.753 1.00 21.34 H new ATOM 0 HE1 PHE A 77 0.698 6.157 7.083 1.00 62.12 H new ATOM 0 HE2 PHE A 77 -1.569 9.271 5.264 1.00 25.41 H new ATOM 0 HZ PHE A 77 -1.339 6.913 5.928 1.00 13.21 H new ATOM 1237 N ILE A 78 3.415 11.339 3.930 1.00 53.33 N ATOM 1238 CA ILE A 78 3.162 11.414 2.472 1.00 2.34 C ATOM 1239 C ILE A 78 4.399 10.919 1.687 1.00 12.24 C ATOM 1240 O ILE A 78 4.275 10.132 0.751 1.00 2.31 O ATOM 1241 CB ILE A 78 2.799 12.884 2.049 1.00 55.11 C ATOM 1242 CG1 ILE A 78 1.551 13.388 2.842 1.00 61.44 C ATOM 1243 CG2 ILE A 78 2.559 13.006 0.522 1.00 34.41 C ATOM 1244 CD1 ILE A 78 1.304 14.880 2.741 1.00 12.32 C ATOM 0 H ILE A 78 3.499 12.252 4.376 1.00 53.33 H new ATOM 0 HA ILE A 78 2.316 10.769 2.235 1.00 2.34 H new ATOM 0 HB ILE A 78 3.653 13.515 2.295 1.00 55.11 H new ATOM 0 HG12 ILE A 78 0.668 12.861 2.479 1.00 61.44 H new ATOM 0 HG13 ILE A 78 1.672 13.123 3.892 1.00 61.44 H new ATOM 0 HG21 ILE A 78 2.311 14.038 0.274 1.00 34.41 H new ATOM 0 HG22 ILE A 78 3.462 12.711 -0.013 1.00 34.41 H new ATOM 0 HG23 ILE A 78 1.735 12.355 0.230 1.00 34.41 H new ATOM 0 HD11 ILE A 78 0.419 15.142 3.321 1.00 12.32 H new ATOM 0 HD12 ILE A 78 2.167 15.419 3.132 1.00 12.32 H new ATOM 0 HD13 ILE A 78 1.148 15.153 1.697 1.00 12.32 H new ATOM 1256 N GLU A 79 5.591 11.372 2.116 1.00 34.12 N ATOM 1257 CA GLU A 79 6.888 10.892 1.573 1.00 42.15 C ATOM 1258 C GLU A 79 7.034 9.359 1.721 1.00 61.33 C ATOM 1259 O GLU A 79 7.543 8.672 0.823 1.00 25.13 O ATOM 1260 CB GLU A 79 8.052 11.626 2.278 1.00 13.44 C ATOM 1261 CG GLU A 79 8.080 13.151 2.025 1.00 32.02 C ATOM 1262 CD GLU A 79 9.140 13.892 2.857 1.00 65.31 C ATOM 1263 OE1 GLU A 79 10.318 13.459 2.859 1.00 75.32 O ATOM 1264 OE2 GLU A 79 8.809 14.898 3.521 1.00 2.23 O ATOM 0 H GLU A 79 5.689 12.078 2.845 1.00 34.12 H new ATOM 0 HA GLU A 79 6.918 11.117 0.507 1.00 42.15 H new ATOM 0 HB2 GLU A 79 7.983 11.447 3.351 1.00 13.44 H new ATOM 0 HB3 GLU A 79 8.995 11.195 1.943 1.00 13.44 H new ATOM 0 HG2 GLU A 79 8.268 13.332 0.967 1.00 32.02 H new ATOM 0 HG3 GLU A 79 7.098 13.567 2.250 1.00 32.02 H new ATOM 1271 N LEU A 80 6.541 8.847 2.861 1.00 34.55 N ATOM 1272 CA LEU A 80 6.455 7.407 3.136 1.00 52.33 C ATOM 1273 C LEU A 80 5.413 6.720 2.224 1.00 72.21 C ATOM 1274 O LEU A 80 5.698 5.690 1.652 1.00 32.12 O ATOM 1275 CB LEU A 80 6.124 7.169 4.633 1.00 44.25 C ATOM 1276 CG LEU A 80 7.243 7.580 5.646 1.00 0.30 C ATOM 1277 CD1 LEU A 80 6.800 7.343 7.107 1.00 3.44 C ATOM 1278 CD2 LEU A 80 8.572 6.854 5.336 1.00 63.21 C ATOM 0 H LEU A 80 6.189 9.427 3.622 1.00 34.55 H new ATOM 0 HA LEU A 80 7.424 6.959 2.917 1.00 52.33 H new ATOM 0 HB2 LEU A 80 5.216 7.721 4.878 1.00 44.25 H new ATOM 0 HB3 LEU A 80 5.902 6.111 4.774 1.00 44.25 H new ATOM 0 HG LEU A 80 7.415 8.650 5.528 1.00 0.30 H new ATOM 0 HD11 LEU A 80 7.602 7.640 7.783 1.00 3.44 H new ATOM 0 HD12 LEU A 80 5.910 7.936 7.318 1.00 3.44 H new ATOM 0 HD13 LEU A 80 6.575 6.286 7.252 1.00 3.44 H new ATOM 0 HD21 LEU A 80 9.330 7.160 6.057 1.00 63.21 H new ATOM 0 HD22 LEU A 80 8.422 5.776 5.402 1.00 63.21 H new ATOM 0 HD23 LEU A 80 8.902 7.113 4.330 1.00 63.21 H new ATOM 1290 N ASN A 81 4.234 7.345 2.066 1.00 54.14 N ATOM 1291 CA ASN A 81 3.079 6.781 1.308 1.00 3.33 C ATOM 1292 C ASN A 81 3.482 6.385 -0.151 1.00 41.24 C ATOM 1293 O ASN A 81 3.206 5.269 -0.612 1.00 42.32 O ATOM 1294 CB ASN A 81 1.939 7.842 1.293 1.00 72.45 C ATOM 1295 CG ASN A 81 0.558 7.311 0.909 1.00 32.13 C ATOM 1296 OD1 ASN A 81 0.411 6.278 0.274 1.00 1.23 O ATOM 1297 ND2 ASN A 81 -0.476 8.051 1.264 1.00 71.11 N ATOM 0 H ASN A 81 4.043 8.266 2.461 1.00 54.14 H new ATOM 0 HA ASN A 81 2.740 5.869 1.799 1.00 3.33 H new ATOM 0 HB2 ASN A 81 1.874 8.295 2.282 1.00 72.45 H new ATOM 0 HB3 ASN A 81 2.212 8.635 0.597 1.00 72.45 H new ATOM 0 HD21 ASN A 81 -1.421 7.764 1.008 1.00 71.11 H new ATOM 0 HD22 ASN A 81 -0.330 8.910 1.794 1.00 71.11 H new ATOM 1304 N PHE A 82 4.179 7.314 -0.832 1.00 5.22 N ATOM 1305 CA PHE A 82 4.668 7.129 -2.222 1.00 4.31 C ATOM 1306 C PHE A 82 5.701 5.974 -2.344 1.00 12.41 C ATOM 1307 O PHE A 82 5.590 5.128 -3.239 1.00 44.12 O ATOM 1308 CB PHE A 82 5.299 8.452 -2.735 1.00 21.15 C ATOM 1309 CG PHE A 82 4.296 9.537 -3.142 1.00 40.43 C ATOM 1310 CD1 PHE A 82 3.481 10.164 -2.204 1.00 11.32 C ATOM 1311 CD2 PHE A 82 4.181 9.937 -4.469 1.00 54.21 C ATOM 1312 CE1 PHE A 82 2.595 11.151 -2.581 1.00 52.12 C ATOM 1313 CE2 PHE A 82 3.297 10.921 -4.841 1.00 23.32 C ATOM 1314 CZ PHE A 82 2.504 11.529 -3.900 1.00 63.42 C ATOM 0 H PHE A 82 4.423 8.222 -0.436 1.00 5.22 H new ATOM 0 HA PHE A 82 3.807 6.858 -2.834 1.00 4.31 H new ATOM 0 HB2 PHE A 82 5.948 8.853 -1.956 1.00 21.15 H new ATOM 0 HB3 PHE A 82 5.933 8.225 -3.592 1.00 21.15 H new ATOM 0 HD1 PHE A 82 3.543 9.873 -1.166 1.00 11.32 H new ATOM 0 HD2 PHE A 82 4.797 9.466 -5.220 1.00 54.21 H new ATOM 0 HE1 PHE A 82 1.972 11.628 -1.839 1.00 52.12 H new ATOM 0 HE2 PHE A 82 3.226 11.217 -5.877 1.00 23.32 H new ATOM 0 HZ PHE A 82 1.810 12.302 -4.195 1.00 63.42 H new ATOM 1324 N LYS A 83 6.712 5.964 -1.453 1.00 22.34 N ATOM 1325 CA LYS A 83 7.796 4.946 -1.483 1.00 35.41 C ATOM 1326 C LYS A 83 7.311 3.558 -0.988 1.00 13.33 C ATOM 1327 O LYS A 83 7.863 2.523 -1.375 1.00 5.32 O ATOM 1328 CB LYS A 83 9.028 5.443 -0.674 1.00 33.31 C ATOM 1329 CG LYS A 83 8.843 5.523 0.860 1.00 53.32 C ATOM 1330 CD LYS A 83 9.965 6.330 1.564 1.00 64.14 C ATOM 1331 CE LYS A 83 11.377 5.754 1.337 1.00 31.41 C ATOM 1332 NZ LYS A 83 12.431 6.641 1.889 1.00 74.11 N ATOM 0 H LYS A 83 6.806 6.647 -0.701 1.00 22.34 H new ATOM 0 HA LYS A 83 8.098 4.814 -2.522 1.00 35.41 H new ATOM 0 HB2 LYS A 83 9.868 4.781 -0.885 1.00 33.31 H new ATOM 0 HB3 LYS A 83 9.303 6.433 -1.039 1.00 33.31 H new ATOM 0 HG2 LYS A 83 7.879 5.982 1.081 1.00 53.32 H new ATOM 0 HG3 LYS A 83 8.817 4.514 1.270 1.00 53.32 H new ATOM 0 HD2 LYS A 83 9.940 7.359 1.206 1.00 64.14 H new ATOM 0 HD3 LYS A 83 9.762 6.360 2.635 1.00 64.14 H new ATOM 0 HE2 LYS A 83 11.448 4.772 1.804 1.00 31.41 H new ATOM 0 HE3 LYS A 83 11.544 5.612 0.269 1.00 31.41 H new ATOM 0 HZ1 LYS A 83 13.366 6.219 1.716 1.00 74.11 H new ATOM 0 HZ2 LYS A 83 12.380 7.571 1.426 1.00 74.11 H new ATOM 0 HZ3 LYS A 83 12.287 6.756 2.913 1.00 74.11 H new ATOM 1346 N HIS A 84 6.271 3.560 -0.134 1.00 23.25 N ATOM 1347 CA HIS A 84 5.692 2.330 0.454 1.00 21.54 C ATOM 1348 C HIS A 84 4.705 1.618 -0.494 1.00 20.41 C ATOM 1349 O HIS A 84 4.528 0.408 -0.380 1.00 54.02 O ATOM 1350 CB HIS A 84 4.997 2.639 1.812 1.00 55.35 C ATOM 1351 CG HIS A 84 5.940 3.005 2.935 1.00 62.55 C ATOM 1352 ND1 HIS A 84 5.508 3.524 4.134 1.00 72.12 N ATOM 1353 CD2 HIS A 84 7.285 2.881 3.054 1.00 62.14 C ATOM 1354 CE1 HIS A 84 6.535 3.691 4.940 1.00 45.22 C ATOM 1355 NE2 HIS A 84 7.622 3.313 4.310 1.00 74.43 N ATOM 0 H HIS A 84 5.805 4.415 0.171 1.00 23.25 H new ATOM 0 HA HIS A 84 6.527 1.649 0.621 1.00 21.54 H new ATOM 0 HB2 HIS A 84 4.292 3.458 1.666 1.00 55.35 H new ATOM 0 HB3 HIS A 84 4.415 1.768 2.114 1.00 55.35 H new ATOM 0 HD2 HIS A 84 7.964 2.511 2.300 1.00 62.14 H new ATOM 0 HE1 HIS A 84 6.490 4.074 5.949 1.00 45.22 H new ATOM 0 HE2 HIS A 84 8.567 3.337 4.694 1.00 74.43 H new ATOM 1364 N LEU A 85 4.017 2.360 -1.390 1.00 34.53 N ATOM 1365 CA LEU A 85 3.055 1.729 -2.336 1.00 44.24 C ATOM 1366 C LEU A 85 3.617 1.586 -3.768 1.00 2.42 C ATOM 1367 O LEU A 85 3.326 0.596 -4.425 1.00 45.05 O ATOM 1368 CB LEU A 85 1.724 2.538 -2.356 1.00 43.13 C ATOM 1369 CG LEU A 85 0.963 2.619 -0.994 1.00 51.01 C ATOM 1370 CD1 LEU A 85 -0.372 3.391 -1.132 1.00 25.03 C ATOM 1371 CD2 LEU A 85 0.738 1.209 -0.407 1.00 14.42 C ATOM 0 H LEU A 85 4.102 3.372 -1.482 1.00 34.53 H new ATOM 0 HA LEU A 85 2.870 0.718 -1.974 1.00 44.24 H new ATOM 0 HB2 LEU A 85 1.941 3.552 -2.691 1.00 43.13 H new ATOM 0 HB3 LEU A 85 1.060 2.093 -3.097 1.00 43.13 H new ATOM 0 HG LEU A 85 1.588 3.179 -0.298 1.00 51.01 H new ATOM 0 HD11 LEU A 85 -0.873 3.427 -0.165 1.00 25.03 H new ATOM 0 HD12 LEU A 85 -0.172 4.406 -1.475 1.00 25.03 H new ATOM 0 HD13 LEU A 85 -1.012 2.884 -1.854 1.00 25.03 H new ATOM 0 HD21 LEU A 85 0.206 1.290 0.541 1.00 14.42 H new ATOM 0 HD22 LEU A 85 0.148 0.615 -1.104 1.00 14.42 H new ATOM 0 HD23 LEU A 85 1.701 0.725 -0.243 1.00 14.42 H new ATOM 1383 N LEU A 86 4.472 2.524 -4.222 1.00 54.44 N ATOM 1384 CA LEU A 86 5.004 2.523 -5.622 1.00 45.04 C ATOM 1385 C LEU A 86 6.530 2.304 -5.634 1.00 20.52 C ATOM 1386 O LEU A 86 7.059 1.559 -6.467 1.00 65.30 O ATOM 1387 CB LEU A 86 4.678 3.856 -6.385 1.00 3.21 C ATOM 1388 CG LEU A 86 3.164 4.250 -6.546 1.00 33.11 C ATOM 1389 CD1 LEU A 86 2.590 4.886 -5.262 1.00 70.23 C ATOM 1390 CD2 LEU A 86 2.940 5.181 -7.766 1.00 3.30 C ATOM 0 H LEU A 86 4.815 3.295 -3.650 1.00 54.44 H new ATOM 0 HA LEU A 86 4.507 1.700 -6.135 1.00 45.04 H new ATOM 0 HB2 LEU A 86 5.184 4.671 -5.869 1.00 3.21 H new ATOM 0 HB3 LEU A 86 5.116 3.789 -7.381 1.00 3.21 H new ATOM 0 HG LEU A 86 2.620 3.322 -6.726 1.00 33.11 H new ATOM 0 HD11 LEU A 86 1.542 5.142 -5.420 1.00 70.23 H new ATOM 0 HD12 LEU A 86 2.670 4.177 -4.438 1.00 70.23 H new ATOM 0 HD13 LEU A 86 3.152 5.788 -5.021 1.00 70.23 H new ATOM 0 HD21 LEU A 86 1.882 5.431 -7.844 1.00 3.30 H new ATOM 0 HD22 LEU A 86 3.520 6.095 -7.638 1.00 3.30 H new ATOM 0 HD23 LEU A 86 3.260 4.673 -8.675 1.00 3.30 H new ATOM 1402 N GLY A 87 7.223 2.982 -4.701 1.00 50.42 N ATOM 1403 CA GLY A 87 8.691 2.993 -4.657 1.00 32.34 C ATOM 1404 C GLY A 87 9.297 4.261 -5.268 1.00 0.42 C ATOM 1405 O GLY A 87 10.299 4.198 -5.987 1.00 24.14 O ATOM 0 H GLY A 87 6.783 3.532 -3.964 1.00 50.42 H new ATOM 0 HA2 GLY A 87 9.019 2.902 -3.621 1.00 32.34 H new ATOM 0 HA3 GLY A 87 9.072 2.121 -5.189 1.00 32.34 H new ATOM 1409 N ARG A 88 8.687 5.419 -4.952 1.00 54.13 N ATOM 1410 CA ARG A 88 9.133 6.749 -5.444 1.00 60.51 C ATOM 1411 C ARG A 88 9.192 7.785 -4.296 1.00 63.14 C ATOM 1412 O ARG A 88 8.629 7.576 -3.220 1.00 21.23 O ATOM 1413 CB ARG A 88 8.175 7.262 -6.557 1.00 34.45 C ATOM 1414 CG ARG A 88 6.688 7.356 -6.127 1.00 62.12 C ATOM 1415 CD ARG A 88 5.798 8.066 -7.165 1.00 12.10 C ATOM 1416 NE ARG A 88 6.048 9.529 -7.227 1.00 51.14 N ATOM 1417 CZ ARG A 88 6.293 10.220 -8.320 1.00 2.35 C ATOM 1418 NH1 ARG A 88 6.501 9.627 -9.457 1.00 1.43 N ATOM 1419 NH2 ARG A 88 6.353 11.510 -8.265 1.00 72.21 N ATOM 0 H ARG A 88 7.867 5.465 -4.346 1.00 54.13 H new ATOM 0 HA ARG A 88 10.136 6.629 -5.852 1.00 60.51 H new ATOM 0 HB2 ARG A 88 8.510 8.247 -6.882 1.00 34.45 H new ATOM 0 HB3 ARG A 88 8.250 6.599 -7.419 1.00 34.45 H new ATOM 0 HG2 ARG A 88 6.302 6.351 -5.955 1.00 62.12 H new ATOM 0 HG3 ARG A 88 6.624 7.889 -5.178 1.00 62.12 H new ATOM 0 HD2 ARG A 88 5.974 7.629 -8.148 1.00 12.10 H new ATOM 0 HD3 ARG A 88 4.750 7.890 -6.921 1.00 12.10 H new ATOM 0 HE ARG A 88 6.028 10.043 -6.346 1.00 51.14 H new ATOM 0 HH11 ARG A 88 6.476 8.609 -9.513 1.00 1.43 H new ATOM 0 HH12 ARG A 88 6.689 10.180 -10.293 1.00 1.43 H new ATOM 0 HH21 ARG A 88 6.211 11.990 -7.376 1.00 72.21 H new ATOM 0 HH22 ARG A 88 6.543 12.048 -9.110 1.00 72.21 H new ATOM 1433 N ALA A 89 9.849 8.925 -4.562 1.00 34.24 N ATOM 1434 CA ALA A 89 9.973 10.041 -3.601 1.00 24.43 C ATOM 1435 C ALA A 89 9.239 11.293 -4.150 1.00 31.33 C ATOM 1436 O ALA A 89 9.594 11.784 -5.231 1.00 14.40 O ATOM 1437 CB ALA A 89 11.462 10.337 -3.348 1.00 44.41 C ATOM 0 H ALA A 89 10.313 9.103 -5.453 1.00 34.24 H new ATOM 0 HA ALA A 89 9.510 9.766 -2.654 1.00 24.43 H new ATOM 0 HB1 ALA A 89 11.554 11.160 -2.639 1.00 44.41 H new ATOM 0 HB2 ALA A 89 11.945 9.450 -2.938 1.00 44.41 H new ATOM 0 HB3 ALA A 89 11.943 10.611 -4.287 1.00 44.41 H new ATOM 1443 N PRO A 90 8.194 11.830 -3.432 1.00 33.35 N ATOM 1444 CA PRO A 90 7.453 13.027 -3.892 1.00 73.01 C ATOM 1445 C PRO A 90 8.291 14.319 -3.710 1.00 71.31 C ATOM 1446 O PRO A 90 8.265 14.978 -2.662 1.00 21.34 O ATOM 1447 CB PRO A 90 6.170 13.009 -3.032 1.00 25.01 C ATOM 1448 CG PRO A 90 6.587 12.340 -1.756 1.00 30.31 C ATOM 1449 CD PRO A 90 7.667 11.332 -2.133 1.00 1.51 C ATOM 0 HA PRO A 90 7.226 13.013 -4.958 1.00 73.01 H new ATOM 0 HB2 PRO A 90 5.800 14.018 -2.849 1.00 25.01 H new ATOM 0 HB3 PRO A 90 5.368 12.460 -3.525 1.00 25.01 H new ATOM 0 HG2 PRO A 90 6.969 13.069 -1.042 1.00 30.31 H new ATOM 0 HG3 PRO A 90 5.740 11.843 -1.283 1.00 30.31 H new ATOM 0 HD2 PRO A 90 8.451 11.286 -1.377 1.00 1.51 H new ATOM 0 HD3 PRO A 90 7.257 10.326 -2.229 1.00 1.51 H new ATOM 1457 N TYR A 91 9.089 14.619 -4.744 1.00 21.02 N ATOM 1458 CA TYR A 91 10.006 15.777 -4.757 1.00 3.54 C ATOM 1459 C TYR A 91 9.249 17.104 -5.003 1.00 12.54 C ATOM 1460 O TYR A 91 9.736 18.176 -4.624 1.00 30.53 O ATOM 1461 CB TYR A 91 11.123 15.568 -5.820 1.00 51.43 C ATOM 1462 CG TYR A 91 10.618 15.476 -7.270 1.00 33.10 C ATOM 1463 CD1 TYR A 91 10.177 14.262 -7.805 1.00 71.54 C ATOM 1464 CD2 TYR A 91 10.560 16.608 -8.091 1.00 54.33 C ATOM 1465 CE1 TYR A 91 9.707 14.180 -9.099 1.00 72.23 C ATOM 1466 CE2 TYR A 91 10.090 16.531 -9.381 1.00 3.53 C ATOM 1467 CZ TYR A 91 9.665 15.317 -9.884 1.00 34.23 C ATOM 1468 OH TYR A 91 9.205 15.240 -11.178 1.00 3.42 O ATOM 0 H TYR A 91 9.120 14.066 -5.600 1.00 21.02 H new ATOM 0 HA TYR A 91 10.469 15.849 -3.773 1.00 3.54 H new ATOM 0 HB2 TYR A 91 11.833 16.392 -5.748 1.00 51.43 H new ATOM 0 HB3 TYR A 91 11.668 14.655 -5.580 1.00 51.43 H new ATOM 0 HD1 TYR A 91 10.205 13.372 -7.194 1.00 71.54 H new ATOM 0 HD2 TYR A 91 10.891 17.560 -7.704 1.00 54.33 H new ATOM 0 HE1 TYR A 91 9.374 13.233 -9.497 1.00 72.23 H new ATOM 0 HE2 TYR A 91 10.053 17.416 -9.998 1.00 3.53 H new ATOM 0 HH TYR A 91 9.240 16.128 -11.591 1.00 3.42 H new ATOM 1478 N ASP A 92 8.066 17.023 -5.661 1.00 22.12 N ATOM 1479 CA ASP A 92 7.200 18.196 -5.869 1.00 4.03 C ATOM 1480 C ASP A 92 6.413 18.501 -4.592 1.00 20.35 C ATOM 1481 O ASP A 92 5.632 17.671 -4.124 1.00 70.45 O ATOM 1482 CB ASP A 92 6.216 17.998 -7.055 1.00 14.44 C ATOM 1483 CG ASP A 92 6.879 18.157 -8.424 1.00 25.11 C ATOM 1484 OD1 ASP A 92 7.302 19.291 -8.750 1.00 33.00 O ATOM 1485 OD2 ASP A 92 6.962 17.178 -9.188 1.00 3.34 O ATOM 0 H ASP A 92 7.696 16.157 -6.053 1.00 22.12 H new ATOM 0 HA ASP A 92 7.849 19.037 -6.115 1.00 4.03 H new ATOM 0 HB2 ASP A 92 5.772 17.005 -6.987 1.00 14.44 H new ATOM 0 HB3 ASP A 92 5.402 18.718 -6.967 1.00 14.44 H new ATOM 1490 N GLN A 93 6.623 19.703 -4.053 1.00 4.31 N ATOM 1491 CA GLN A 93 5.864 20.198 -2.890 1.00 1.30 C ATOM 1492 C GLN A 93 4.370 20.408 -3.248 1.00 25.11 C ATOM 1493 O GLN A 93 3.500 20.270 -2.392 1.00 41.31 O ATOM 1494 CB GLN A 93 6.502 21.499 -2.328 1.00 34.24 C ATOM 1495 CG GLN A 93 5.769 22.159 -1.117 1.00 71.41 C ATOM 1496 CD GLN A 93 5.851 21.424 0.252 1.00 21.23 C ATOM 1497 OE1 GLN A 93 5.828 20.102 0.283 1.00 11.40 O flip ATOM 1498 NE2 GLN A 93 5.874 22.067 1.302 1.00 43.11 N flip ATOM 0 H GLN A 93 7.318 20.362 -4.403 1.00 4.31 H new ATOM 0 HA GLN A 93 5.909 19.441 -2.107 1.00 1.30 H new ATOM 0 HB2 GLN A 93 7.526 21.277 -2.029 1.00 34.24 H new ATOM 0 HB3 GLN A 93 6.557 22.230 -3.135 1.00 34.24 H new ATOM 0 HG2 GLN A 93 6.171 23.163 -0.985 1.00 71.41 H new ATOM 0 HG3 GLN A 93 4.717 22.269 -1.379 1.00 71.41 H new ATOM 0 HE21 GLN A 93 5.892 23.086 1.275 1.00 43.11 H new ATOM 0 HE22 GLN A 93 5.875 21.580 2.198 1.00 43.11 H new ATOM 1507 N ALA A 94 4.098 20.714 -4.530 1.00 13.43 N ATOM 1508 CA ALA A 94 2.721 20.775 -5.074 1.00 54.13 C ATOM 1509 C ALA A 94 2.025 19.386 -5.014 1.00 22.04 C ATOM 1510 O ALA A 94 0.835 19.294 -4.724 1.00 25.30 O ATOM 1511 CB ALA A 94 2.752 21.301 -6.518 1.00 5.15 C ATOM 0 H ALA A 94 4.820 20.926 -5.218 1.00 13.43 H new ATOM 0 HA ALA A 94 2.140 21.460 -4.456 1.00 54.13 H new ATOM 0 HB1 ALA A 94 1.736 21.343 -6.912 1.00 5.15 H new ATOM 0 HB2 ALA A 94 3.189 22.300 -6.532 1.00 5.15 H new ATOM 0 HB3 ALA A 94 3.353 20.634 -7.136 1.00 5.15 H new ATOM 1517 N GLU A 95 2.807 18.322 -5.276 1.00 70.40 N ATOM 1518 CA GLU A 95 2.337 16.912 -5.229 1.00 72.41 C ATOM 1519 C GLU A 95 2.090 16.444 -3.767 1.00 43.44 C ATOM 1520 O GLU A 95 1.080 15.783 -3.476 1.00 52.43 O ATOM 1521 CB GLU A 95 3.386 16.013 -5.951 1.00 45.24 C ATOM 1522 CG GLU A 95 3.138 14.494 -5.885 1.00 43.40 C ATOM 1523 CD GLU A 95 4.128 13.672 -6.745 1.00 25.54 C ATOM 1524 OE1 GLU A 95 5.342 13.664 -6.438 1.00 42.32 O ATOM 1525 OE2 GLU A 95 3.694 13.031 -7.729 1.00 12.25 O ATOM 0 H GLU A 95 3.791 18.410 -5.529 1.00 70.40 H new ATOM 0 HA GLU A 95 1.379 16.831 -5.743 1.00 72.41 H new ATOM 0 HB2 GLU A 95 3.427 16.308 -6.999 1.00 45.24 H new ATOM 0 HB3 GLU A 95 4.367 16.219 -5.523 1.00 45.24 H new ATOM 0 HG2 GLU A 95 3.210 14.166 -4.848 1.00 43.40 H new ATOM 0 HG3 GLU A 95 2.121 14.285 -6.215 1.00 43.40 H new ATOM 1532 N VAL A 96 3.005 16.823 -2.852 1.00 12.15 N ATOM 1533 CA VAL A 96 2.897 16.496 -1.409 1.00 54.35 C ATOM 1534 C VAL A 96 1.661 17.194 -0.781 1.00 72.13 C ATOM 1535 O VAL A 96 0.826 16.547 -0.152 1.00 52.21 O ATOM 1536 CB VAL A 96 4.208 16.911 -0.629 1.00 53.42 C ATOM 1537 CG1 VAL A 96 4.095 16.605 0.885 1.00 71.53 C ATOM 1538 CG2 VAL A 96 5.461 16.223 -1.226 1.00 73.14 C ATOM 0 H VAL A 96 3.838 17.362 -3.088 1.00 12.15 H new ATOM 0 HA VAL A 96 2.775 15.416 -1.323 1.00 54.35 H new ATOM 0 HB VAL A 96 4.319 17.989 -0.747 1.00 53.42 H new ATOM 0 HG11 VAL A 96 5.015 16.904 1.386 1.00 71.53 H new ATOM 0 HG12 VAL A 96 3.256 17.158 1.306 1.00 71.53 H new ATOM 0 HG13 VAL A 96 3.934 15.537 1.029 1.00 71.53 H new ATOM 0 HG21 VAL A 96 6.345 16.529 -0.667 1.00 73.14 H new ATOM 0 HG22 VAL A 96 5.348 15.141 -1.161 1.00 73.14 H new ATOM 0 HG23 VAL A 96 5.573 16.514 -2.270 1.00 73.14 H new ATOM 1548 N ALA A 97 1.554 18.516 -1.007 1.00 54.12 N ATOM 1549 CA ALA A 97 0.442 19.358 -0.507 1.00 5.25 C ATOM 1550 C ALA A 97 -0.931 18.972 -1.117 1.00 40.23 C ATOM 1551 O ALA A 97 -1.971 19.129 -0.461 1.00 63.23 O ATOM 1552 CB ALA A 97 0.755 20.841 -0.764 1.00 73.54 C ATOM 0 H ALA A 97 2.243 19.039 -1.547 1.00 54.12 H new ATOM 0 HA ALA A 97 0.360 19.182 0.565 1.00 5.25 H new ATOM 0 HB1 ALA A 97 -0.066 21.455 -0.394 1.00 73.54 H new ATOM 0 HB2 ALA A 97 1.674 21.114 -0.246 1.00 73.54 H new ATOM 0 HB3 ALA A 97 0.879 21.007 -1.834 1.00 73.54 H new ATOM 1558 N ALA A 98 -0.925 18.478 -2.373 1.00 30.43 N ATOM 1559 CA ALA A 98 -2.154 17.994 -3.056 1.00 60.23 C ATOM 1560 C ALA A 98 -2.734 16.748 -2.351 1.00 64.33 C ATOM 1561 O ALA A 98 -3.932 16.680 -2.055 1.00 15.24 O ATOM 1562 CB ALA A 98 -1.870 17.678 -4.532 1.00 4.22 C ATOM 0 H ALA A 98 -0.081 18.402 -2.941 1.00 30.43 H new ATOM 0 HA ALA A 98 -2.894 18.793 -3.003 1.00 60.23 H new ATOM 0 HB1 ALA A 98 -2.784 17.326 -5.011 1.00 4.22 H new ATOM 0 HB2 ALA A 98 -1.520 18.579 -5.036 1.00 4.22 H new ATOM 0 HB3 ALA A 98 -1.104 16.905 -4.598 1.00 4.22 H new ATOM 1568 N HIS A 99 -1.854 15.773 -2.074 1.00 35.33 N ATOM 1569 CA HIS A 99 -2.222 14.528 -1.364 1.00 24.14 C ATOM 1570 C HIS A 99 -2.484 14.768 0.138 1.00 60.41 C ATOM 1571 O HIS A 99 -3.241 14.022 0.758 1.00 54.43 O ATOM 1572 CB HIS A 99 -1.142 13.444 -1.592 1.00 21.34 C ATOM 1573 CG HIS A 99 -1.208 12.837 -2.972 1.00 70.41 C ATOM 1574 ND1 HIS A 99 -1.984 11.737 -3.259 1.00 74.33 N ATOM 1575 CD2 HIS A 99 -0.632 13.196 -4.145 1.00 30.10 C ATOM 1576 CE1 HIS A 99 -1.887 11.442 -4.536 1.00 73.33 C ATOM 1577 NE2 HIS A 99 -1.073 12.310 -5.098 1.00 70.33 N ATOM 0 H HIS A 99 -0.869 15.821 -2.333 1.00 35.33 H new ATOM 0 HA HIS A 99 -3.162 14.170 -1.783 1.00 24.14 H new ATOM 0 HB2 HIS A 99 -0.156 13.882 -1.439 1.00 21.34 H new ATOM 0 HB3 HIS A 99 -1.260 12.657 -0.847 1.00 21.34 H new ATOM 0 HD1 HIS A 99 -2.550 11.227 -2.581 1.00 74.33 H new ATOM 0 HD2 HIS A 99 0.046 14.022 -4.301 1.00 30.10 H new ATOM 0 HE1 HIS A 99 -2.389 10.628 -5.038 1.00 73.33 H new ATOM 1586 N ALA A 100 -1.845 15.802 0.712 1.00 4.31 N ATOM 1587 CA ALA A 100 -2.179 16.301 2.066 1.00 75.35 C ATOM 1588 C ALA A 100 -3.651 16.745 2.153 1.00 2.32 C ATOM 1589 O ALA A 100 -4.384 16.347 3.064 1.00 21.41 O ATOM 1590 CB ALA A 100 -1.251 17.461 2.457 1.00 42.43 C ATOM 0 H ALA A 100 -1.088 16.314 0.259 1.00 4.31 H new ATOM 0 HA ALA A 100 -2.032 15.479 2.767 1.00 75.35 H new ATOM 0 HB1 ALA A 100 -1.511 17.815 3.455 1.00 42.43 H new ATOM 0 HB2 ALA A 100 -0.217 17.117 2.452 1.00 42.43 H new ATOM 0 HB3 ALA A 100 -1.366 18.276 1.742 1.00 42.43 H new ATOM 1596 N ALA A 101 -4.063 17.556 1.168 1.00 14.23 N ATOM 1597 CA ALA A 101 -5.444 18.059 1.055 1.00 1.12 C ATOM 1598 C ALA A 101 -6.463 16.911 0.847 1.00 55.04 C ATOM 1599 O ALA A 101 -7.530 16.914 1.455 1.00 52.33 O ATOM 1600 CB ALA A 101 -5.531 19.079 -0.089 1.00 31.34 C ATOM 0 H ALA A 101 -3.447 17.884 0.424 1.00 14.23 H new ATOM 0 HA ALA A 101 -5.704 18.548 1.994 1.00 1.12 H new ATOM 0 HB1 ALA A 101 -6.553 19.449 -0.170 1.00 31.34 H new ATOM 0 HB2 ALA A 101 -4.859 19.912 0.115 1.00 31.34 H new ATOM 0 HB3 ALA A 101 -5.243 18.601 -1.025 1.00 31.34 H new ATOM 1606 N THR A 102 -6.094 15.923 0.007 1.00 40.54 N ATOM 1607 CA THR A 102 -6.956 14.745 -0.301 1.00 72.43 C ATOM 1608 C THR A 102 -7.170 13.872 0.961 1.00 33.32 C ATOM 1609 O THR A 102 -8.304 13.480 1.279 1.00 74.53 O ATOM 1610 CB THR A 102 -6.340 13.869 -1.450 1.00 41.52 C ATOM 1611 OG1 THR A 102 -6.158 14.676 -2.626 1.00 54.32 O ATOM 1612 CG2 THR A 102 -7.215 12.649 -1.813 1.00 30.40 C ATOM 0 H THR A 102 -5.197 15.911 -0.479 1.00 40.54 H new ATOM 0 HA THR A 102 -7.919 15.129 -0.636 1.00 72.43 H new ATOM 0 HB THR A 102 -5.386 13.492 -1.082 1.00 41.52 H new ATOM 0 HG1 THR A 102 -5.436 15.320 -2.472 1.00 54.32 H new ATOM 0 HG21 THR A 102 -6.737 12.083 -2.613 1.00 30.40 H new ATOM 0 HG22 THR A 102 -7.332 12.011 -0.937 1.00 30.40 H new ATOM 0 HG23 THR A 102 -8.195 12.990 -2.146 1.00 30.40 H new ATOM 1620 N TYR A 103 -6.059 13.595 1.670 1.00 35.13 N ATOM 1621 CA TYR A 103 -6.049 12.849 2.944 1.00 2.20 C ATOM 1622 C TYR A 103 -6.955 13.500 4.022 1.00 52.33 C ATOM 1623 O TYR A 103 -7.794 12.838 4.616 1.00 1.24 O ATOM 1624 CB TYR A 103 -4.586 12.753 3.457 1.00 72.22 C ATOM 1625 CG TYR A 103 -4.408 12.024 4.804 1.00 44.14 C ATOM 1626 CD1 TYR A 103 -4.473 12.715 6.025 1.00 44.23 C ATOM 1627 CD2 TYR A 103 -4.179 10.648 4.859 1.00 1.21 C ATOM 1628 CE1 TYR A 103 -4.316 12.065 7.229 1.00 22.30 C ATOM 1629 CE2 TYR A 103 -4.023 9.997 6.069 1.00 65.34 C ATOM 1630 CZ TYR A 103 -4.092 10.708 7.248 1.00 71.41 C ATOM 1631 OH TYR A 103 -3.938 10.059 8.450 1.00 12.43 O ATOM 0 H TYR A 103 -5.129 13.887 1.370 1.00 35.13 H new ATOM 0 HA TYR A 103 -6.454 11.854 2.757 1.00 2.20 H new ATOM 0 HB2 TYR A 103 -3.987 12.242 2.704 1.00 72.22 H new ATOM 0 HB3 TYR A 103 -4.185 13.762 3.553 1.00 72.22 H new ATOM 0 HD1 TYR A 103 -4.650 13.780 6.020 1.00 44.23 H new ATOM 0 HD2 TYR A 103 -4.123 10.082 3.941 1.00 1.21 H new ATOM 0 HE1 TYR A 103 -4.369 12.619 8.155 1.00 22.30 H new ATOM 0 HE2 TYR A 103 -3.847 8.932 6.090 1.00 65.34 H new ATOM 0 HH TYR A 103 -3.293 10.546 9.004 1.00 12.43 H new ATOM 1641 N HIS A 104 -6.752 14.800 4.286 1.00 41.45 N ATOM 1642 CA HIS A 104 -7.488 15.510 5.362 1.00 44.12 C ATOM 1643 C HIS A 104 -8.966 15.795 4.982 1.00 33.34 C ATOM 1644 O HIS A 104 -9.804 15.956 5.873 1.00 15.23 O ATOM 1645 CB HIS A 104 -6.754 16.814 5.762 1.00 14.21 C ATOM 1646 CG HIS A 104 -5.436 16.588 6.463 1.00 63.24 C ATOM 1647 ND1 HIS A 104 -5.348 16.073 7.735 1.00 75.14 N ATOM 1648 CD2 HIS A 104 -4.161 16.808 6.072 1.00 21.13 C ATOM 1649 CE1 HIS A 104 -4.088 15.987 8.094 1.00 41.15 C ATOM 1650 NE2 HIS A 104 -3.348 16.425 7.106 1.00 34.43 N ATOM 0 H HIS A 104 -6.090 15.385 3.776 1.00 41.45 H new ATOM 0 HA HIS A 104 -7.509 14.846 6.226 1.00 44.12 H new ATOM 0 HB2 HIS A 104 -6.580 17.410 4.866 1.00 14.21 H new ATOM 0 HB3 HIS A 104 -7.404 17.399 6.412 1.00 14.21 H new ATOM 0 HD2 HIS A 104 -3.843 17.211 5.122 1.00 21.13 H new ATOM 0 HE1 HIS A 104 -3.724 15.618 9.042 1.00 41.15 H new ATOM 0 HE2 HIS A 104 -2.329 16.473 7.106 1.00 34.43 H new ATOM 1659 N SER A 105 -9.279 15.866 3.672 1.00 4.44 N ATOM 1660 CA SER A 105 -10.664 16.162 3.202 1.00 5.53 C ATOM 1661 C SER A 105 -11.572 14.901 3.134 1.00 0.32 C ATOM 1662 O SER A 105 -12.746 14.961 3.515 1.00 44.13 O ATOM 1663 CB SER A 105 -10.602 16.822 1.801 1.00 33.33 C ATOM 1664 OG SER A 105 -11.892 17.060 1.259 1.00 4.51 O ATOM 0 H SER A 105 -8.604 15.725 2.920 1.00 4.44 H new ATOM 0 HA SER A 105 -11.109 16.837 3.934 1.00 5.53 H new ATOM 0 HB2 SER A 105 -10.060 17.765 1.870 1.00 33.33 H new ATOM 0 HB3 SER A 105 -10.039 16.180 1.124 1.00 33.33 H new ATOM 0 HG SER A 105 -11.804 17.478 0.377 1.00 4.51 H new ATOM 1670 N HIS A 106 -11.029 13.756 2.654 1.00 24.41 N ATOM 1671 CA HIS A 106 -11.820 12.492 2.455 1.00 14.55 C ATOM 1672 C HIS A 106 -11.338 11.289 3.311 1.00 61.41 C ATOM 1673 O HIS A 106 -11.972 10.224 3.297 1.00 63.41 O ATOM 1674 CB HIS A 106 -11.824 12.119 0.953 1.00 61.54 C ATOM 1675 CG HIS A 106 -12.563 13.095 0.075 1.00 12.00 C ATOM 1676 ND1 HIS A 106 -13.922 13.017 -0.152 1.00 63.31 N ATOM 1677 CD2 HIS A 106 -12.136 14.179 -0.620 1.00 73.30 C ATOM 1678 CE1 HIS A 106 -14.295 14.003 -0.938 1.00 30.41 C ATOM 1679 NE2 HIS A 106 -13.234 14.723 -1.237 1.00 54.44 N ATOM 0 H HIS A 106 -10.046 13.670 2.394 1.00 24.41 H new ATOM 0 HA HIS A 106 -12.831 12.705 2.803 1.00 14.55 H new ATOM 0 HB2 HIS A 106 -10.793 12.044 0.606 1.00 61.54 H new ATOM 0 HB3 HIS A 106 -12.272 11.132 0.837 1.00 61.54 H new ATOM 0 HD2 HIS A 106 -11.122 14.545 -0.677 1.00 73.30 H new ATOM 0 HE1 HIS A 106 -15.302 14.191 -1.281 1.00 30.41 H new ATOM 0 HE2 HIS A 106 -13.229 15.552 -1.832 1.00 54.44 H new ATOM 1688 N GLY A 107 -10.218 11.454 4.019 1.00 65.23 N ATOM 1689 CA GLY A 107 -9.621 10.373 4.829 1.00 31.53 C ATOM 1690 C GLY A 107 -8.487 9.642 4.103 1.00 13.21 C ATOM 1691 O GLY A 107 -8.256 9.869 2.905 1.00 1.31 O ATOM 0 H GLY A 107 -9.698 12.331 4.052 1.00 65.23 H new ATOM 0 HA2 GLY A 107 -9.239 10.792 5.760 1.00 31.53 H new ATOM 0 HA3 GLY A 107 -10.397 9.655 5.097 1.00 31.53 H new ATOM 1695 N TYR A 108 -7.775 8.754 4.837 1.00 43.33 N ATOM 1696 CA TYR A 108 -6.673 7.922 4.273 1.00 43.01 C ATOM 1697 C TYR A 108 -7.148 7.046 3.096 1.00 23.35 C ATOM 1698 O TYR A 108 -6.370 6.733 2.208 1.00 4.43 O ATOM 1699 CB TYR A 108 -6.020 7.020 5.370 1.00 52.45 C ATOM 1700 CG TYR A 108 -6.966 5.991 6.033 1.00 21.21 C ATOM 1701 CD1 TYR A 108 -7.189 4.727 5.474 1.00 51.10 C ATOM 1702 CD2 TYR A 108 -7.637 6.289 7.217 1.00 13.42 C ATOM 1703 CE1 TYR A 108 -8.041 3.820 6.068 1.00 72.53 C ATOM 1704 CE2 TYR A 108 -8.485 5.380 7.813 1.00 24.35 C ATOM 1705 CZ TYR A 108 -8.684 4.151 7.237 1.00 23.04 C ATOM 1706 OH TYR A 108 -9.527 3.245 7.839 1.00 4.02 O ATOM 0 H TYR A 108 -7.943 8.591 5.830 1.00 43.33 H new ATOM 0 HA TYR A 108 -5.925 8.620 3.897 1.00 43.01 H new ATOM 0 HB2 TYR A 108 -5.183 6.483 4.924 1.00 52.45 H new ATOM 0 HB3 TYR A 108 -5.608 7.663 6.148 1.00 52.45 H new ATOM 0 HD1 TYR A 108 -6.683 4.457 4.559 1.00 51.10 H new ATOM 0 HD2 TYR A 108 -7.489 7.254 7.679 1.00 13.42 H new ATOM 0 HE1 TYR A 108 -8.203 2.852 5.616 1.00 72.53 H new ATOM 0 HE2 TYR A 108 -8.992 5.635 8.732 1.00 24.35 H new ATOM 0 HH TYR A 108 -9.899 3.637 8.657 1.00 4.02 H new ATOM 1716 N ASP A 109 -8.434 6.653 3.123 1.00 34.01 N ATOM 1717 CA ASP A 109 -9.010 5.712 2.148 1.00 4.23 C ATOM 1718 C ASP A 109 -8.952 6.277 0.708 1.00 45.41 C ATOM 1719 O ASP A 109 -8.398 5.638 -0.185 1.00 42.42 O ATOM 1720 CB ASP A 109 -10.462 5.376 2.564 1.00 41.42 C ATOM 1721 CG ASP A 109 -11.147 4.373 1.617 1.00 41.24 C ATOM 1722 OD1 ASP A 109 -10.913 3.156 1.752 1.00 15.41 O ATOM 1723 OD2 ASP A 109 -11.914 4.801 0.725 1.00 35.41 O ATOM 0 H ASP A 109 -9.102 6.979 3.821 1.00 34.01 H new ATOM 0 HA ASP A 109 -8.417 4.797 2.147 1.00 4.23 H new ATOM 0 HB2 ASP A 109 -10.458 4.968 3.575 1.00 41.42 H new ATOM 0 HB3 ASP A 109 -11.047 6.295 2.594 1.00 41.42 H new ATOM 1728 N ALA A 110 -9.461 7.501 0.517 1.00 13.31 N ATOM 1729 CA ALA A 110 -9.487 8.157 -0.811 1.00 12.31 C ATOM 1730 C ALA A 110 -8.069 8.455 -1.347 1.00 23.54 C ATOM 1731 O ALA A 110 -7.843 8.420 -2.558 1.00 2.33 O ATOM 1732 CB ALA A 110 -10.303 9.445 -0.737 1.00 52.41 C ATOM 0 H ALA A 110 -9.864 8.065 1.265 1.00 13.31 H new ATOM 0 HA ALA A 110 -9.955 7.463 -1.509 1.00 12.31 H new ATOM 0 HB1 ALA A 110 -10.318 9.923 -1.717 1.00 52.41 H new ATOM 0 HB2 ALA A 110 -11.323 9.212 -0.431 1.00 52.41 H new ATOM 0 HB3 ALA A 110 -9.851 10.121 -0.011 1.00 52.41 H new ATOM 1738 N ASP A 111 -7.128 8.735 -0.430 1.00 62.12 N ATOM 1739 CA ASP A 111 -5.735 9.054 -0.793 1.00 74.34 C ATOM 1740 C ASP A 111 -4.972 7.774 -1.248 1.00 31.41 C ATOM 1741 O ASP A 111 -4.487 7.713 -2.379 1.00 61.23 O ATOM 1742 CB ASP A 111 -5.022 9.743 0.410 1.00 41.34 C ATOM 1743 CG ASP A 111 -3.658 10.348 0.027 1.00 44.11 C ATOM 1744 OD1 ASP A 111 -3.640 11.285 -0.803 1.00 14.42 O ATOM 1745 OD2 ASP A 111 -2.606 9.885 0.529 1.00 51.51 O ATOM 0 H ASP A 111 -7.307 8.747 0.574 1.00 62.12 H new ATOM 0 HA ASP A 111 -5.738 9.746 -1.635 1.00 74.34 H new ATOM 0 HB2 ASP A 111 -5.665 10.529 0.806 1.00 41.34 H new ATOM 0 HB3 ASP A 111 -4.880 9.015 1.208 1.00 41.34 H new ATOM 1750 N ILE A 112 -4.960 6.741 -0.377 1.00 14.22 N ATOM 1751 CA ILE A 112 -4.217 5.461 -0.592 1.00 60.02 C ATOM 1752 C ILE A 112 -4.724 4.688 -1.841 1.00 54.23 C ATOM 1753 O ILE A 112 -3.917 4.240 -2.672 1.00 62.14 O ATOM 1754 CB ILE A 112 -4.244 4.535 0.712 1.00 22.34 C ATOM 1755 CG1 ILE A 112 -3.122 4.944 1.743 1.00 74.21 C ATOM 1756 CG2 ILE A 112 -4.144 3.017 0.374 1.00 61.34 C ATOM 1757 CD1 ILE A 112 -3.220 6.348 2.319 1.00 5.02 C ATOM 0 H ILE A 112 -5.468 6.764 0.507 1.00 14.22 H new ATOM 0 HA ILE A 112 -3.179 5.733 -0.784 1.00 60.02 H new ATOM 0 HB ILE A 112 -5.216 4.702 1.176 1.00 22.34 H new ATOM 0 HG12 ILE A 112 -3.140 4.233 2.569 1.00 74.21 H new ATOM 0 HG13 ILE A 112 -2.153 4.841 1.254 1.00 74.21 H new ATOM 0 HG21 ILE A 112 -4.167 2.437 1.296 1.00 61.34 H new ATOM 0 HG22 ILE A 112 -4.985 2.729 -0.257 1.00 61.34 H new ATOM 0 HG23 ILE A 112 -3.210 2.823 -0.154 1.00 61.34 H new ATOM 0 HD11 ILE A 112 -2.397 6.515 3.014 1.00 5.02 H new ATOM 0 HD12 ILE A 112 -3.166 7.077 1.511 1.00 5.02 H new ATOM 0 HD13 ILE A 112 -4.168 6.460 2.846 1.00 5.02 H new ATOM 1769 N ASN A 113 -6.058 4.556 -1.973 1.00 62.12 N ATOM 1770 CA ASN A 113 -6.683 3.805 -3.093 1.00 43.23 C ATOM 1771 C ASN A 113 -6.359 4.448 -4.470 1.00 60.41 C ATOM 1772 O ASN A 113 -6.320 3.752 -5.484 1.00 42.10 O ATOM 1773 CB ASN A 113 -8.215 3.662 -2.896 1.00 21.01 C ATOM 1774 CG ASN A 113 -8.603 2.946 -1.599 1.00 44.11 C ATOM 1775 OD1 ASN A 113 -7.861 2.138 -1.067 1.00 10.04 O ATOM 1776 ND2 ASN A 113 -9.784 3.229 -1.087 1.00 55.23 N ATOM 0 H ASN A 113 -6.730 4.959 -1.319 1.00 62.12 H new ATOM 0 HA ASN A 113 -6.249 2.805 -3.086 1.00 43.23 H new ATOM 0 HB2 ASN A 113 -8.668 4.654 -2.903 1.00 21.01 H new ATOM 0 HB3 ASN A 113 -8.632 3.115 -3.742 1.00 21.01 H new ATOM 0 HD21 ASN A 113 -10.092 2.769 -0.230 1.00 55.23 H new ATOM 0 HD22 ASN A 113 -10.390 3.908 -1.547 1.00 55.23 H new ATOM 1783 N SER A 114 -6.135 5.786 -4.487 1.00 15.24 N ATOM 1784 CA SER A 114 -5.687 6.519 -5.704 1.00 43.35 C ATOM 1785 C SER A 114 -4.323 6.005 -6.225 1.00 45.12 C ATOM 1786 O SER A 114 -4.116 5.934 -7.436 1.00 61.31 O ATOM 1787 CB SER A 114 -5.593 8.045 -5.443 1.00 43.04 C ATOM 1788 OG SER A 114 -6.854 8.594 -5.107 1.00 24.01 O ATOM 0 H SER A 114 -6.257 6.384 -3.669 1.00 15.24 H new ATOM 0 HA SER A 114 -6.442 6.331 -6.468 1.00 43.35 H new ATOM 0 HB2 SER A 114 -4.886 8.234 -4.635 1.00 43.04 H new ATOM 0 HB3 SER A 114 -5.203 8.543 -6.331 1.00 43.04 H new ATOM 0 HG SER A 114 -7.052 8.406 -4.166 1.00 24.01 H new ATOM 1794 N TYR A 115 -3.395 5.647 -5.308 1.00 23.21 N ATOM 1795 CA TYR A 115 -2.067 5.098 -5.700 1.00 13.32 C ATOM 1796 C TYR A 115 -2.213 3.661 -6.242 1.00 22.42 C ATOM 1797 O TYR A 115 -1.572 3.291 -7.224 1.00 24.22 O ATOM 1798 CB TYR A 115 -1.089 5.064 -4.498 1.00 75.44 C ATOM 1799 CG TYR A 115 -0.857 6.410 -3.793 1.00 55.44 C ATOM 1800 CD1 TYR A 115 0.074 7.343 -4.260 1.00 62.14 C ATOM 1801 CD2 TYR A 115 -1.564 6.734 -2.643 1.00 35.13 C ATOM 1802 CE1 TYR A 115 0.275 8.538 -3.596 1.00 43.33 C ATOM 1803 CE2 TYR A 115 -1.365 7.920 -1.981 1.00 44.31 C ATOM 1804 CZ TYR A 115 -0.450 8.819 -2.454 1.00 70.02 C ATOM 1805 OH TYR A 115 -0.252 10.001 -1.778 1.00 22.52 O ATOM 0 H TYR A 115 -3.534 5.725 -4.301 1.00 23.21 H new ATOM 0 HA TYR A 115 -1.668 5.755 -6.472 1.00 13.32 H new ATOM 0 HB2 TYR A 115 -1.467 4.351 -3.765 1.00 75.44 H new ATOM 0 HB3 TYR A 115 -0.128 4.686 -4.845 1.00 75.44 H new ATOM 0 HD1 TYR A 115 0.644 7.127 -5.152 1.00 62.14 H new ATOM 0 HD2 TYR A 115 -2.291 6.034 -2.259 1.00 35.13 H new ATOM 0 HE1 TYR A 115 0.997 9.250 -3.969 1.00 43.33 H new ATOM 0 HE2 TYR A 115 -1.930 8.143 -1.088 1.00 44.31 H new ATOM 0 HH TYR A 115 0.618 10.378 -2.026 1.00 22.52 H new ATOM 1815 N ILE A 116 -3.095 2.884 -5.590 1.00 0.40 N ATOM 1816 CA ILE A 116 -3.279 1.442 -5.863 1.00 42.32 C ATOM 1817 C ILE A 116 -4.013 1.180 -7.197 1.00 3.15 C ATOM 1818 O ILE A 116 -3.638 0.292 -7.961 1.00 1.55 O ATOM 1819 CB ILE A 116 -4.051 0.758 -4.677 1.00 4.25 C ATOM 1820 CG1 ILE A 116 -3.273 0.956 -3.332 1.00 75.24 C ATOM 1821 CG2 ILE A 116 -4.328 -0.746 -4.954 1.00 74.12 C ATOM 1822 CD1 ILE A 116 -1.888 0.320 -3.283 1.00 61.03 C ATOM 0 H ILE A 116 -3.706 3.238 -4.854 1.00 0.40 H new ATOM 0 HA ILE A 116 -2.285 1.005 -5.952 1.00 42.32 H new ATOM 0 HB ILE A 116 -5.022 1.245 -4.588 1.00 4.25 H new ATOM 0 HG12 ILE A 116 -3.171 2.025 -3.144 1.00 75.24 H new ATOM 0 HG13 ILE A 116 -3.873 0.545 -2.520 1.00 75.24 H new ATOM 0 HG21 ILE A 116 -4.863 -1.179 -4.109 1.00 74.12 H new ATOM 0 HG22 ILE A 116 -4.933 -0.845 -5.855 1.00 74.12 H new ATOM 0 HG23 ILE A 116 -3.383 -1.271 -5.092 1.00 74.12 H new ATOM 0 HD11 ILE A 116 -1.433 0.514 -2.312 1.00 61.03 H new ATOM 0 HD12 ILE A 116 -1.976 -0.756 -3.434 1.00 61.03 H new ATOM 0 HD13 ILE A 116 -1.264 0.747 -4.068 1.00 61.03 H new ATOM 1834 N ASP A 117 -5.052 1.963 -7.472 1.00 21.30 N ATOM 1835 CA ASP A 117 -5.869 1.807 -8.692 1.00 62.11 C ATOM 1836 C ASP A 117 -5.388 2.730 -9.838 1.00 61.41 C ATOM 1837 O ASP A 117 -5.999 2.750 -10.913 1.00 23.32 O ATOM 1838 CB ASP A 117 -7.359 2.018 -8.351 1.00 52.25 C ATOM 1839 CG ASP A 117 -7.871 0.948 -7.362 1.00 71.51 C ATOM 1840 OD1 ASP A 117 -8.072 -0.220 -7.788 1.00 72.11 O ATOM 1841 OD2 ASP A 117 -8.052 1.257 -6.159 1.00 22.41 O ATOM 0 H ASP A 117 -5.358 2.723 -6.864 1.00 21.30 H new ATOM 0 HA ASP A 117 -5.746 0.790 -9.064 1.00 62.11 H new ATOM 0 HB2 ASP A 117 -7.498 3.009 -7.920 1.00 52.25 H new ATOM 0 HB3 ASP A 117 -7.951 1.983 -9.265 1.00 52.25 H new ATOM 1846 N SER A 118 -4.269 3.468 -9.610 1.00 50.23 N ATOM 1847 CA SER A 118 -3.642 4.346 -10.638 1.00 35.02 C ATOM 1848 C SER A 118 -3.211 3.526 -11.871 1.00 55.51 C ATOM 1849 O SER A 118 -2.644 2.446 -11.711 1.00 41.23 O ATOM 1850 CB SER A 118 -2.409 5.076 -10.046 1.00 13.13 C ATOM 1851 OG SER A 118 -1.804 5.937 -11.001 1.00 43.24 O ATOM 0 H SER A 118 -3.778 3.472 -8.716 1.00 50.23 H new ATOM 0 HA SER A 118 -4.383 5.083 -10.947 1.00 35.02 H new ATOM 0 HB2 SER A 118 -2.712 5.655 -9.174 1.00 13.13 H new ATOM 0 HB3 SER A 118 -1.680 4.342 -9.704 1.00 13.13 H new ATOM 0 HG SER A 118 -1.031 6.383 -10.596 1.00 43.24 H new ATOM 1857 N ALA A 119 -3.480 4.045 -13.089 1.00 70.44 N ATOM 1858 CA ALA A 119 -3.226 3.312 -14.361 1.00 74.04 C ATOM 1859 C ALA A 119 -1.738 2.907 -14.521 1.00 35.33 C ATOM 1860 O ALA A 119 -1.424 1.738 -14.745 1.00 65.44 O ATOM 1861 CB ALA A 119 -3.679 4.165 -15.555 1.00 72.22 C ATOM 0 H ALA A 119 -3.876 4.975 -13.224 1.00 70.44 H new ATOM 0 HA ALA A 119 -3.806 2.390 -14.329 1.00 74.04 H new ATOM 0 HB1 ALA A 119 -3.490 3.623 -16.482 1.00 72.22 H new ATOM 0 HB2 ALA A 119 -4.745 4.375 -15.468 1.00 72.22 H new ATOM 0 HB3 ALA A 119 -3.124 5.103 -15.564 1.00 72.22 H new ATOM 1867 N GLU A 120 -0.842 3.886 -14.322 1.00 22.34 N ATOM 1868 CA GLU A 120 0.628 3.693 -14.415 1.00 31.14 C ATOM 1869 C GLU A 120 1.164 2.649 -13.398 1.00 23.44 C ATOM 1870 O GLU A 120 2.104 1.907 -13.693 1.00 74.12 O ATOM 1871 CB GLU A 120 1.336 5.058 -14.209 1.00 55.44 C ATOM 1872 CG GLU A 120 0.962 5.770 -12.888 1.00 21.52 C ATOM 1873 CD GLU A 120 1.558 7.177 -12.759 1.00 65.30 C ATOM 1874 OE1 GLU A 120 1.274 8.033 -13.626 1.00 74.05 O ATOM 1875 OE2 GLU A 120 2.285 7.443 -11.787 1.00 23.42 O ATOM 0 H GLU A 120 -1.111 4.842 -14.090 1.00 22.34 H new ATOM 0 HA GLU A 120 0.847 3.299 -15.407 1.00 31.14 H new ATOM 0 HB2 GLU A 120 2.415 4.903 -14.233 1.00 55.44 H new ATOM 0 HB3 GLU A 120 1.089 5.713 -15.045 1.00 55.44 H new ATOM 0 HG2 GLU A 120 -0.124 5.836 -12.815 1.00 21.52 H new ATOM 0 HG3 GLU A 120 1.301 5.162 -12.049 1.00 21.52 H new ATOM 1882 N TYR A 121 0.559 2.608 -12.203 1.00 55.44 N ATOM 1883 CA TYR A 121 0.932 1.663 -11.138 1.00 74.34 C ATOM 1884 C TYR A 121 0.418 0.226 -11.437 1.00 32.32 C ATOM 1885 O TYR A 121 1.189 -0.727 -11.404 1.00 35.22 O ATOM 1886 CB TYR A 121 0.390 2.186 -9.783 1.00 33.04 C ATOM 1887 CG TYR A 121 0.511 1.192 -8.616 1.00 42.40 C ATOM 1888 CD1 TYR A 121 1.713 0.998 -7.940 1.00 13.13 C ATOM 1889 CD2 TYR A 121 -0.586 0.450 -8.191 1.00 34.24 C ATOM 1890 CE1 TYR A 121 1.799 0.104 -6.895 1.00 54.41 C ATOM 1891 CE2 TYR A 121 -0.497 -0.440 -7.149 1.00 73.24 C ATOM 1892 CZ TYR A 121 0.687 -0.608 -6.500 1.00 24.31 C ATOM 1893 OH TYR A 121 0.763 -1.489 -5.441 1.00 22.24 O ATOM 0 H TYR A 121 -0.206 3.231 -11.945 1.00 55.44 H new ATOM 0 HA TYR A 121 2.019 1.599 -11.089 1.00 74.34 H new ATOM 0 HB2 TYR A 121 0.925 3.099 -9.521 1.00 33.04 H new ATOM 0 HB3 TYR A 121 -0.659 2.455 -9.906 1.00 33.04 H new ATOM 0 HD1 TYR A 121 2.589 1.555 -8.239 1.00 13.13 H new ATOM 0 HD2 TYR A 121 -1.533 0.577 -8.694 1.00 34.24 H new ATOM 0 HE1 TYR A 121 2.740 -0.039 -6.384 1.00 54.41 H new ATOM 0 HE2 TYR A 121 -1.365 -1.006 -6.845 1.00 73.24 H new ATOM 0 HH TYR A 121 -0.113 -1.905 -5.298 1.00 22.24 H new ATOM 1903 N THR A 122 -0.887 0.096 -11.738 1.00 61.42 N ATOM 1904 CA THR A 122 -1.566 -1.221 -11.890 1.00 14.44 C ATOM 1905 C THR A 122 -1.064 -1.980 -13.144 1.00 63.52 C ATOM 1906 O THR A 122 -0.934 -3.196 -13.128 1.00 75.12 O ATOM 1907 CB THR A 122 -3.130 -1.054 -11.954 1.00 3.23 C ATOM 1908 OG1 THR A 122 -3.591 -0.318 -10.802 1.00 24.11 O ATOM 1909 CG2 THR A 122 -3.876 -2.407 -12.000 1.00 1.00 C ATOM 0 H THR A 122 -1.506 0.893 -11.884 1.00 61.42 H new ATOM 0 HA THR A 122 -1.314 -1.811 -11.009 1.00 14.44 H new ATOM 0 HB THR A 122 -3.348 -0.517 -12.877 1.00 3.23 H new ATOM 0 HG1 THR A 122 -3.383 0.633 -10.917 1.00 24.11 H new ATOM 0 HG21 THR A 122 -4.950 -2.229 -12.043 1.00 1.00 H new ATOM 0 HG22 THR A 122 -3.565 -2.964 -12.884 1.00 1.00 H new ATOM 0 HG23 THR A 122 -3.640 -2.983 -11.106 1.00 1.00 H new ATOM 1917 N GLU A 123 -0.796 -1.247 -14.235 1.00 21.12 N ATOM 1918 CA GLU A 123 -0.234 -1.839 -15.477 1.00 44.34 C ATOM 1919 C GLU A 123 1.253 -2.267 -15.323 1.00 11.00 C ATOM 1920 O GLU A 123 1.653 -3.317 -15.845 1.00 13.23 O ATOM 1921 CB GLU A 123 -0.418 -0.851 -16.659 1.00 12.20 C ATOM 1922 CG GLU A 123 -1.897 -0.514 -16.961 1.00 60.01 C ATOM 1923 CD GLU A 123 -2.075 0.478 -18.125 1.00 62.45 C ATOM 1924 OE1 GLU A 123 -1.883 1.694 -17.918 1.00 52.33 O ATOM 1925 OE2 GLU A 123 -2.411 0.046 -19.251 1.00 45.42 O ATOM 0 H GLU A 123 -0.957 -0.241 -14.291 1.00 21.12 H new ATOM 0 HA GLU A 123 -0.788 -2.755 -15.685 1.00 44.34 H new ATOM 0 HB2 GLU A 123 0.118 0.072 -16.437 1.00 12.20 H new ATOM 0 HB3 GLU A 123 0.038 -1.278 -17.552 1.00 12.20 H new ATOM 0 HG2 GLU A 123 -2.431 -1.435 -17.194 1.00 60.01 H new ATOM 0 HG3 GLU A 123 -2.357 -0.097 -16.065 1.00 60.01 H new ATOM 1932 N SER A 124 2.065 -1.469 -14.600 1.00 71.21 N ATOM 1933 CA SER A 124 3.531 -1.736 -14.455 1.00 12.23 C ATOM 1934 C SER A 124 3.853 -2.767 -13.338 1.00 5.32 C ATOM 1935 O SER A 124 4.799 -3.551 -13.470 1.00 42.12 O ATOM 1936 CB SER A 124 4.291 -0.423 -14.165 1.00 43.15 C ATOM 1937 OG SER A 124 5.698 -0.634 -14.055 1.00 30.30 O ATOM 0 H SER A 124 1.743 -0.637 -14.106 1.00 71.21 H new ATOM 0 HA SER A 124 3.859 -2.163 -15.403 1.00 12.23 H new ATOM 0 HB2 SER A 124 4.093 0.294 -14.962 1.00 43.15 H new ATOM 0 HB3 SER A 124 3.917 0.016 -13.240 1.00 43.15 H new ATOM 0 HG SER A 124 6.144 0.220 -13.873 1.00 30.30 H new ATOM 1943 N PHE A 125 3.069 -2.751 -12.249 1.00 35.13 N ATOM 1944 CA PHE A 125 3.274 -3.645 -11.073 1.00 65.41 C ATOM 1945 C PHE A 125 2.193 -4.744 -10.983 1.00 63.03 C ATOM 1946 O PHE A 125 2.169 -5.501 -10.012 1.00 63.54 O ATOM 1947 CB PHE A 125 3.275 -2.810 -9.761 1.00 54.10 C ATOM 1948 CG PHE A 125 4.370 -1.747 -9.688 1.00 24.14 C ATOM 1949 CD1 PHE A 125 5.671 -2.082 -9.313 1.00 23.53 C ATOM 1950 CD2 PHE A 125 4.097 -0.411 -9.980 1.00 54.11 C ATOM 1951 CE1 PHE A 125 6.654 -1.116 -9.228 1.00 34.02 C ATOM 1952 CE2 PHE A 125 5.080 0.551 -9.897 1.00 65.43 C ATOM 1953 CZ PHE A 125 6.354 0.197 -9.522 1.00 44.11 C ATOM 0 H PHE A 125 2.272 -2.122 -12.148 1.00 35.13 H new ATOM 0 HA PHE A 125 4.239 -4.135 -11.204 1.00 65.41 H new ATOM 0 HB2 PHE A 125 2.306 -2.323 -9.654 1.00 54.10 H new ATOM 0 HB3 PHE A 125 3.386 -3.487 -8.914 1.00 54.10 H new ATOM 0 HD1 PHE A 125 5.913 -3.110 -9.086 1.00 23.53 H new ATOM 0 HD2 PHE A 125 3.098 -0.126 -10.276 1.00 54.11 H new ATOM 0 HE1 PHE A 125 7.656 -1.389 -8.932 1.00 34.02 H new ATOM 0 HE2 PHE A 125 4.850 1.581 -10.126 1.00 65.43 H new ATOM 0 HZ PHE A 125 7.124 0.951 -9.457 1.00 44.11 H new ATOM 1963 N GLY A 126 1.288 -4.805 -11.982 1.00 42.25 N ATOM 1964 CA GLY A 126 0.215 -5.818 -12.022 1.00 50.34 C ATOM 1965 C GLY A 126 -0.761 -5.784 -10.827 1.00 61.24 C ATOM 1966 O GLY A 126 -0.660 -4.936 -9.930 1.00 31.22 O ATOM 0 H GLY A 126 1.280 -4.162 -12.774 1.00 42.25 H new ATOM 0 HA2 GLY A 126 -0.355 -5.685 -12.941 1.00 50.34 H new ATOM 0 HA3 GLY A 126 0.671 -6.807 -12.071 1.00 50.34 H new ATOM 1970 N ASP A 127 -1.760 -6.673 -10.862 1.00 31.01 N ATOM 1971 CA ASP A 127 -2.632 -6.961 -9.701 1.00 5.25 C ATOM 1972 C ASP A 127 -2.049 -8.102 -8.814 1.00 72.11 C ATOM 1973 O ASP A 127 -2.434 -8.249 -7.655 1.00 23.30 O ATOM 1974 CB ASP A 127 -4.076 -7.280 -10.180 1.00 32.44 C ATOM 1975 CG ASP A 127 -4.157 -8.481 -11.137 1.00 54.34 C ATOM 1976 OD1 ASP A 127 -3.728 -8.357 -12.308 1.00 12.41 O ATOM 1977 OD2 ASP A 127 -4.632 -9.551 -10.724 1.00 34.31 O ATOM 0 H ASP A 127 -1.993 -7.217 -11.693 1.00 31.01 H new ATOM 0 HA ASP A 127 -2.673 -6.071 -9.074 1.00 5.25 H new ATOM 0 HB2 ASP A 127 -4.703 -7.476 -9.310 1.00 32.44 H new ATOM 0 HB3 ASP A 127 -4.487 -6.402 -10.677 1.00 32.44 H new ATOM 1982 N ASN A 128 -1.109 -8.898 -9.372 1.00 44.21 N ATOM 1983 CA ASN A 128 -0.527 -10.094 -8.690 1.00 34.12 C ATOM 1984 C ASN A 128 0.948 -9.903 -8.247 1.00 64.40 C ATOM 1985 O ASN A 128 1.477 -10.755 -7.531 1.00 31.45 O ATOM 1986 CB ASN A 128 -0.617 -11.327 -9.631 1.00 61.11 C ATOM 1987 CG ASN A 128 -2.052 -11.735 -9.971 1.00 15.23 C ATOM 1988 OD1 ASN A 128 -2.966 -11.589 -9.165 1.00 40.45 O ATOM 1989 ND2 ASN A 128 -2.264 -12.257 -11.164 1.00 53.22 N ATOM 0 H ASN A 128 -0.728 -8.737 -10.304 1.00 44.21 H new ATOM 0 HA ASN A 128 -1.114 -10.245 -7.784 1.00 34.12 H new ATOM 0 HB2 ASN A 128 -0.082 -11.108 -10.555 1.00 61.11 H new ATOM 0 HB3 ASN A 128 -0.110 -12.170 -9.161 1.00 61.11 H new ATOM 0 HD21 ASN A 128 -3.203 -12.549 -11.433 1.00 53.22 H new ATOM 0 HD22 ASN A 128 -1.488 -12.368 -11.817 1.00 53.22 H new ATOM 1996 N VAL A 129 1.608 -8.814 -8.659 1.00 73.30 N ATOM 1997 CA VAL A 129 3.053 -8.600 -8.376 1.00 15.24 C ATOM 1998 C VAL A 129 3.246 -7.604 -7.198 1.00 22.01 C ATOM 1999 O VAL A 129 2.499 -6.623 -7.081 1.00 20.23 O ATOM 2000 CB VAL A 129 3.820 -8.085 -9.656 1.00 62.31 C ATOM 2001 CG1 VAL A 129 5.350 -8.092 -9.444 1.00 53.20 C ATOM 2002 CG2 VAL A 129 3.429 -8.889 -10.924 1.00 65.24 C ATOM 0 H VAL A 129 1.173 -8.060 -9.191 1.00 73.30 H new ATOM 0 HA VAL A 129 3.476 -9.563 -8.091 1.00 15.24 H new ATOM 0 HB VAL A 129 3.512 -7.051 -9.815 1.00 62.31 H new ATOM 0 HG11 VAL A 129 5.844 -7.731 -10.346 1.00 53.20 H new ATOM 0 HG12 VAL A 129 5.604 -7.442 -8.607 1.00 53.20 H new ATOM 0 HG13 VAL A 129 5.683 -9.107 -9.229 1.00 53.20 H new ATOM 0 HG21 VAL A 129 3.978 -8.504 -11.783 1.00 65.24 H new ATOM 0 HG22 VAL A 129 3.675 -9.941 -10.778 1.00 65.24 H new ATOM 0 HG23 VAL A 129 2.359 -8.788 -11.103 1.00 65.24 H new ATOM 2012 N VAL A 130 4.237 -7.877 -6.317 1.00 43.44 N ATOM 2013 CA VAL A 130 4.599 -6.974 -5.200 1.00 74.10 C ATOM 2014 C VAL A 130 5.486 -5.817 -5.750 1.00 1.32 C ATOM 2015 O VAL A 130 6.490 -6.092 -6.433 1.00 53.05 O ATOM 2016 CB VAL A 130 5.393 -7.739 -4.056 1.00 44.44 C ATOM 2017 CG1 VAL A 130 5.796 -6.789 -2.892 1.00 53.10 C ATOM 2018 CG2 VAL A 130 4.597 -8.950 -3.509 1.00 30.15 C ATOM 0 H VAL A 130 4.804 -8.724 -6.360 1.00 43.44 H new ATOM 0 HA VAL A 130 3.677 -6.584 -4.767 1.00 74.10 H new ATOM 0 HB VAL A 130 6.306 -8.115 -4.518 1.00 44.44 H new ATOM 0 HG11 VAL A 130 6.337 -7.353 -2.132 1.00 53.10 H new ATOM 0 HG12 VAL A 130 6.435 -5.994 -3.276 1.00 53.10 H new ATOM 0 HG13 VAL A 130 4.899 -6.353 -2.451 1.00 53.10 H new ATOM 0 HG21 VAL A 130 5.177 -9.444 -2.729 1.00 30.15 H new ATOM 0 HG22 VAL A 130 3.650 -8.605 -3.094 1.00 30.15 H new ATOM 0 HG23 VAL A 130 4.404 -9.654 -4.318 1.00 30.15 H new ATOM 2028 N PRO A 131 5.136 -4.513 -5.471 1.00 45.53 N ATOM 2029 CA PRO A 131 5.965 -3.345 -5.886 1.00 10.22 C ATOM 2030 C PRO A 131 7.322 -3.251 -5.139 1.00 71.43 C ATOM 2031 O PRO A 131 7.532 -3.901 -4.110 1.00 20.04 O ATOM 2032 CB PRO A 131 5.053 -2.116 -5.586 1.00 61.42 C ATOM 2033 CG PRO A 131 3.681 -2.699 -5.406 1.00 72.41 C ATOM 2034 CD PRO A 131 3.895 -4.061 -4.795 1.00 32.24 C ATOM 0 HA PRO A 131 6.258 -3.417 -6.933 1.00 10.22 H new ATOM 0 HB2 PRO A 131 5.380 -1.588 -4.690 1.00 61.42 H new ATOM 0 HB3 PRO A 131 5.074 -1.397 -6.405 1.00 61.42 H new ATOM 0 HG2 PRO A 131 3.070 -2.070 -4.758 1.00 72.41 H new ATOM 0 HG3 PRO A 131 3.159 -2.775 -6.360 1.00 72.41 H new ATOM 0 HD2 PRO A 131 4.016 -4.008 -3.713 1.00 32.24 H new ATOM 0 HD3 PRO A 131 3.058 -4.731 -4.989 1.00 32.24 H new ATOM 2042 N TYR A 132 8.234 -2.425 -5.675 1.00 63.23 N ATOM 2043 CA TYR A 132 9.624 -2.301 -5.169 1.00 45.41 C ATOM 2044 C TYR A 132 10.105 -0.828 -5.172 1.00 40.23 C ATOM 2045 O TYR A 132 9.664 -0.020 -6.000 1.00 11.34 O ATOM 2046 CB TYR A 132 10.570 -3.210 -6.011 1.00 14.40 C ATOM 2047 CG TYR A 132 10.437 -3.039 -7.541 1.00 74.24 C ATOM 2048 CD1 TYR A 132 9.516 -3.800 -8.278 1.00 54.34 C ATOM 2049 CD2 TYR A 132 11.229 -2.125 -8.244 1.00 25.32 C ATOM 2050 CE1 TYR A 132 9.392 -3.651 -9.646 1.00 11.33 C ATOM 2051 CE2 TYR A 132 11.105 -1.976 -9.614 1.00 43.12 C ATOM 2052 CZ TYR A 132 10.188 -2.740 -10.309 1.00 2.40 C ATOM 2053 OH TYR A 132 10.071 -2.593 -11.675 1.00 11.12 O ATOM 0 H TYR A 132 8.035 -1.821 -6.472 1.00 63.23 H new ATOM 0 HA TYR A 132 9.646 -2.635 -4.132 1.00 45.41 H new ATOM 0 HB2 TYR A 132 11.601 -3.002 -5.724 1.00 14.40 H new ATOM 0 HB3 TYR A 132 10.372 -4.251 -5.757 1.00 14.40 H new ATOM 0 HD1 TYR A 132 8.892 -4.517 -7.765 1.00 54.34 H new ATOM 0 HD2 TYR A 132 11.950 -1.525 -7.708 1.00 25.32 H new ATOM 0 HE1 TYR A 132 8.675 -4.245 -10.194 1.00 11.33 H new ATOM 0 HE2 TYR A 132 11.724 -1.264 -10.139 1.00 43.12 H new ATOM 0 HH TYR A 132 10.702 -1.911 -11.986 1.00 11.12 H new ATOM 2063 N PHE A 133 11.026 -0.506 -4.240 1.00 12.23 N ATOM 2064 CA PHE A 133 11.595 0.852 -4.093 1.00 2.24 C ATOM 2065 C PHE A 133 12.756 1.095 -5.085 1.00 10.23 C ATOM 2066 O PHE A 133 13.631 0.238 -5.266 1.00 11.00 O ATOM 2067 CB PHE A 133 12.073 1.092 -2.627 1.00 74.45 C ATOM 2068 CG PHE A 133 12.670 2.487 -2.374 1.00 61.11 C ATOM 2069 CD1 PHE A 133 11.890 3.636 -2.530 1.00 25.22 C ATOM 2070 CD2 PHE A 133 14.014 2.653 -2.006 1.00 44.42 C ATOM 2071 CE1 PHE A 133 12.424 4.895 -2.317 1.00 54.53 C ATOM 2072 CE2 PHE A 133 14.545 3.915 -1.795 1.00 71.13 C ATOM 2073 CZ PHE A 133 13.751 5.035 -1.954 1.00 52.03 C ATOM 0 H PHE A 133 11.396 -1.178 -3.568 1.00 12.23 H new ATOM 0 HA PHE A 133 10.804 1.565 -4.326 1.00 2.24 H new ATOM 0 HB2 PHE A 133 11.229 0.944 -1.954 1.00 74.45 H new ATOM 0 HB3 PHE A 133 12.819 0.339 -2.373 1.00 74.45 H new ATOM 0 HD1 PHE A 133 10.854 3.540 -2.821 1.00 25.22 H new ATOM 0 HD2 PHE A 133 14.644 1.784 -1.885 1.00 44.42 H new ATOM 0 HE1 PHE A 133 11.803 5.770 -2.435 1.00 54.53 H new ATOM 0 HE2 PHE A 133 15.580 4.024 -1.506 1.00 71.13 H new ATOM 0 HZ PHE A 133 14.167 6.019 -1.795 1.00 52.03 H new