USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1084 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 Single : A 1 SER N :NH3+ -126:sc= 0.164 (180deg=0) USER MOD Single : A 1 SER OG : rot 21:sc= 0.952 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.123 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0851 F(o=-0.92,f=-0.085) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= 0.869 (180deg=-0.192) USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= 0.913 (180deg=-0.063) USER MOD Single : A 37 SER OG : rot -11:sc= 0.9 USER MOD Single : A 40 ASN : amide:sc= -9.16! C(o=-9.2!,f=-20!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -22:sc= -4.43! USER MOD Single : A 51 GLN : amide:sc= -1.14 X(o=-1.1,f=-0.86) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.853 F(o=-2.2!,f=-0.85) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00956 USER MOD Single : A 58 THR OG1 : rot -19:sc= 0.0395 USER MOD Single : A 59 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.6) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 63 GLN : amide:sc= -0.521! C(o=-0.52!,f=-7.9!) USER MOD Single : A 67 ASN : amide:sc=-0.00638 X(o=-0.0064,f=0) USER MOD Single : A 69 TYR OH : rot 36:sc= 0.253 USER MOD Single : A 70 GLN : amide:sc= -0.792 K(o=-0.79,f=-2.3!) USER MOD Single : A 74 SER OG : rot -121:sc= 0.854 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 79 SER OG : rot -130:sc= -0.105 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 101 MET CE :methyl -129:sc= -0.0105 (180deg=-0.218) USER MOD Single : A 105 GLN : amide:sc= -1.71! K(o=-1.7!,f=-2.3) USER MOD Single : A 106 GLN : amide:sc= 0.255! C(o=0.25!,f=-2.7!) USER MOD Single : A 108 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.54) USER MOD Single : A 111 ASN : amide:sc= -0.0499 K(o=-0.05,f=-0.93) USER MOD Single : A 113 MET CE :methyl -160:sc= -1.23 (180deg=-2.51) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0.00351 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 62:sc= 1.18 USER MOD Single : A 127 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 130 CYS SG : rot -27:sc= -4.09! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.922 -7.258 10.127 1.00 0.00 N ATOM 2 CA SER A 1 -18.048 -6.162 9.659 1.00 0.00 C ATOM 3 C SER A 1 -16.636 -6.700 9.399 1.00 0.00 C ATOM 4 O SER A 1 -16.410 -7.911 9.467 1.00 0.00 O ATOM 5 CB SER A 1 -18.019 -5.022 10.694 1.00 0.00 C ATOM 6 OG SER A 1 -17.422 -3.845 10.158 1.00 0.00 O ATOM 0 H1 SER A 1 -19.768 -7.308 9.525 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.406 -8.160 10.075 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.207 -7.078 11.111 1.00 0.00 H new ATOM 0 HA SER A 1 -18.445 -5.761 8.726 1.00 0.00 H new ATOM 0 HB2 SER A 1 -19.035 -4.800 11.020 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.464 -5.344 11.575 1.00 0.00 H new ATOM 0 HG SER A 1 -17.450 -3.881 9.179 1.00 0.00 H new ATOM 14 N MET A 2 -15.705 -5.795 9.087 1.00 0.00 N ATOM 15 CA MET A 2 -14.315 -6.145 8.774 1.00 0.00 C ATOM 16 C MET A 2 -14.242 -6.864 7.421 1.00 0.00 C ATOM 17 O MET A 2 -13.294 -7.600 7.131 1.00 0.00 O ATOM 18 CB MET A 2 -13.685 -6.998 9.895 1.00 0.00 C ATOM 19 CG MET A 2 -12.167 -7.123 9.792 1.00 0.00 C ATOM 20 SD MET A 2 -11.454 -8.128 11.113 1.00 0.00 S ATOM 21 CE MET A 2 -9.707 -8.031 10.711 1.00 0.00 C ATOM 0 H MET A 2 -15.894 -4.794 9.044 1.00 0.00 H new ATOM 0 HA MET A 2 -13.737 -5.224 8.706 1.00 0.00 H new ATOM 0 HB2 MET A 2 -13.940 -6.559 10.860 1.00 0.00 H new ATOM 0 HB3 MET A 2 -14.125 -7.995 9.872 1.00 0.00 H new ATOM 0 HG2 MET A 2 -11.908 -7.562 8.828 1.00 0.00 H new ATOM 0 HG3 MET A 2 -11.723 -6.128 9.819 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.134 -8.604 11.439 1.00 0.00 H new ATOM 0 HE2 MET A 2 -9.540 -8.440 9.715 1.00 0.00 H new ATOM 0 HE3 MET A 2 -9.385 -6.990 10.735 1.00 0.00 H new ATOM 31 N THR A 3 -15.247 -6.613 6.590 1.00 0.00 N ATOM 32 CA THR A 3 -15.303 -7.149 5.235 1.00 0.00 C ATOM 33 C THR A 3 -16.292 -6.332 4.407 1.00 0.00 C ATOM 34 O THR A 3 -16.095 -6.130 3.209 1.00 0.00 O ATOM 35 CB THR A 3 -15.680 -8.654 5.210 1.00 0.00 C ATOM 36 OG1 THR A 3 -15.716 -9.140 3.857 1.00 0.00 O ATOM 37 CG2 THR A 3 -17.024 -8.909 5.881 1.00 0.00 C ATOM 0 H THR A 3 -16.047 -6.031 6.837 1.00 0.00 H new ATOM 0 HA THR A 3 -14.306 -7.070 4.801 1.00 0.00 H new ATOM 0 HB THR A 3 -14.913 -9.190 5.769 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.954 -10.091 3.857 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.253 -9.974 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.979 -8.584 6.920 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.802 -8.352 5.360 1.00 0.00 H new ATOM 45 N GLU A 4 -17.346 -5.854 5.077 1.00 0.00 N ATOM 46 CA GLU A 4 -18.338 -4.947 4.498 1.00 0.00 C ATOM 47 C GLU A 4 -18.926 -5.497 3.193 1.00 0.00 C ATOM 48 O GLU A 4 -19.940 -6.202 3.209 1.00 0.00 O ATOM 49 CB GLU A 4 -17.741 -3.541 4.264 1.00 0.00 C ATOM 50 CG GLU A 4 -16.789 -3.063 5.359 1.00 0.00 C ATOM 51 CD GLU A 4 -17.357 -3.191 6.764 1.00 0.00 C ATOM 52 OE1 GLU A 4 -18.008 -2.241 7.242 1.00 0.00 O ATOM 53 OE2 GLU A 4 -17.134 -4.238 7.404 1.00 0.00 O ATOM 0 H GLU A 4 -17.535 -6.091 6.051 1.00 0.00 H new ATOM 0 HA GLU A 4 -19.149 -4.865 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.209 -3.541 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.558 -2.825 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.863 -3.635 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.532 -2.020 5.174 1.00 0.00 H new ATOM 60 N GLU A 5 -18.253 -5.214 2.078 1.00 0.00 N ATOM 61 CA GLU A 5 -18.781 -5.504 0.748 1.00 0.00 C ATOM 62 C GLU A 5 -17.742 -6.236 -0.100 1.00 0.00 C ATOM 63 O GLU A 5 -16.536 -6.092 0.115 1.00 0.00 O ATOM 64 CB GLU A 5 -19.190 -4.199 0.042 1.00 0.00 C ATOM 65 CG GLU A 5 -20.325 -3.438 0.724 1.00 0.00 C ATOM 66 CD GLU A 5 -21.631 -4.218 0.746 1.00 0.00 C ATOM 67 OE1 GLU A 5 -22.080 -4.668 -0.332 1.00 0.00 O ATOM 68 OE2 GLU A 5 -22.228 -4.374 1.830 1.00 0.00 O ATOM 0 H GLU A 5 -17.330 -4.779 2.072 1.00 0.00 H new ATOM 0 HA GLU A 5 -19.656 -6.144 0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.319 -3.547 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -19.489 -4.432 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -20.033 -3.200 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -20.482 -2.491 0.208 1.00 0.00 H new ATOM 75 N GLN A 6 -18.230 -7.011 -1.067 1.00 0.00 N ATOM 76 CA GLN A 6 -17.371 -7.744 -1.999 1.00 0.00 C ATOM 77 C GLN A 6 -16.612 -6.799 -2.956 1.00 0.00 C ATOM 78 O GLN A 6 -15.425 -7.014 -3.216 1.00 0.00 O ATOM 79 CB GLN A 6 -18.205 -8.754 -2.806 1.00 0.00 C ATOM 80 CG GLN A 6 -17.401 -9.544 -3.832 1.00 0.00 C ATOM 81 CD GLN A 6 -18.270 -10.464 -4.671 1.00 0.00 C ATOM 82 OE1 GLN A 6 -18.766 -10.076 -5.729 1.00 0.00 O ATOM 83 NE2 GLN A 6 -18.461 -11.689 -4.203 1.00 0.00 N ATOM 0 H GLN A 6 -19.228 -7.149 -1.227 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.627 -8.276 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -18.679 -9.452 -2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.005 -8.221 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.874 -8.851 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.643 -10.135 -3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.032 -11.971 -3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -19.037 -12.350 -4.724 1.00 0.00 H new ATOM 92 N PRO A 7 -17.287 -5.764 -3.531 1.00 0.00 N ATOM 93 CA PRO A 7 -16.636 -4.801 -4.443 1.00 0.00 C ATOM 94 C PRO A 7 -15.414 -4.091 -3.836 1.00 0.00 C ATOM 95 O PRO A 7 -14.978 -4.393 -2.722 1.00 0.00 O ATOM 96 CB PRO A 7 -17.752 -3.782 -4.744 1.00 0.00 C ATOM 97 CG PRO A 7 -19.016 -4.537 -4.529 1.00 0.00 C ATOM 98 CD PRO A 7 -18.733 -5.475 -3.390 1.00 0.00 C ATOM 0 HA PRO A 7 -16.237 -5.308 -5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -17.689 -2.918 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.682 -3.408 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -19.839 -3.864 -4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -19.304 -5.085 -5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.959 -5.017 -2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.332 -6.383 -3.459 1.00 0.00 H new ATOM 106 N VAL A 8 -14.905 -3.104 -4.578 1.00 0.00 N ATOM 107 CA VAL A 8 -13.669 -2.387 -4.233 1.00 0.00 C ATOM 108 C VAL A 8 -13.700 -1.767 -2.830 1.00 0.00 C ATOM 109 O VAL A 8 -12.668 -1.329 -2.324 1.00 0.00 O ATOM 110 CB VAL A 8 -13.367 -1.273 -5.264 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.166 -1.868 -6.658 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.480 -0.226 -5.272 1.00 0.00 C ATOM 0 H VAL A 8 -15.339 -2.776 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.881 -3.140 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.441 -0.778 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.955 -1.068 -7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.329 -2.566 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.071 -2.394 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.247 0.547 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.425 -0.701 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.563 0.224 -4.283 1.00 0.00 H new ATOM 122 N ALA A 9 -14.878 -1.729 -2.206 1.00 0.00 N ATOM 123 CA ALA A 9 -15.031 -1.176 -0.855 1.00 0.00 C ATOM 124 C ALA A 9 -14.037 -1.809 0.127 1.00 0.00 C ATOM 125 O ALA A 9 -13.741 -1.237 1.179 1.00 0.00 O ATOM 126 CB ALA A 9 -16.462 -1.374 -0.364 1.00 0.00 C ATOM 0 H ALA A 9 -15.746 -2.076 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.815 -0.109 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.563 -0.960 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.152 -0.865 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.695 -2.439 -0.342 1.00 0.00 H new ATOM 132 N SER A 10 -13.513 -2.984 -0.237 1.00 0.00 N ATOM 133 CA SER A 10 -12.532 -3.694 0.583 1.00 0.00 C ATOM 134 C SER A 10 -11.282 -2.839 0.856 1.00 0.00 C ATOM 135 O SER A 10 -10.514 -3.131 1.777 1.00 0.00 O ATOM 136 CB SER A 10 -12.135 -5.011 -0.097 1.00 0.00 C ATOM 137 OG SER A 10 -13.253 -5.878 -0.237 1.00 0.00 O ATOM 0 H SER A 10 -13.756 -3.465 -1.103 1.00 0.00 H new ATOM 0 HA SER A 10 -12.998 -3.907 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.709 -4.802 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.360 -5.506 0.488 1.00 0.00 H new ATOM 0 HG SER A 10 -12.970 -6.708 -0.675 1.00 0.00 H new ATOM 143 N TRP A 11 -11.080 -1.785 0.058 1.00 0.00 N ATOM 144 CA TRP A 11 -9.955 -0.866 0.263 1.00 0.00 C ATOM 145 C TRP A 11 -9.961 -0.312 1.686 1.00 0.00 C ATOM 146 O TRP A 11 -8.917 -0.202 2.326 1.00 0.00 O ATOM 147 CB TRP A 11 -10.015 0.317 -0.713 1.00 0.00 C ATOM 148 CG TRP A 11 -9.906 -0.038 -2.166 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.412 -1.186 -2.721 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.284 0.804 -3.256 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.474 -1.108 -4.093 1.00 0.00 N ATOM 152 CE2 TRP A 11 -10.006 0.108 -4.444 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.838 2.080 -3.331 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.266 0.654 -5.701 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.094 2.625 -4.571 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.809 1.913 -5.745 1.00 0.00 C ATOM 0 H TRP A 11 -11.678 -1.548 -0.733 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.043 -1.437 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.954 0.848 -0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.212 1.011 -0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -9.030 -2.029 -2.165 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -9.174 -1.835 -4.743 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -11.063 2.634 -2.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.048 0.106 -6.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.520 3.615 -4.639 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.021 2.365 -6.703 1.00 0.00 H new ATOM 167 N ALA A 12 -11.157 0.010 2.177 1.00 0.00 N ATOM 168 CA ALA A 12 -11.322 0.673 3.471 1.00 0.00 C ATOM 169 C ALA A 12 -11.067 -0.286 4.637 1.00 0.00 C ATOM 170 O ALA A 12 -11.192 0.096 5.806 1.00 0.00 O ATOM 171 CB ALA A 12 -12.719 1.277 3.570 1.00 0.00 C ATOM 0 H ALA A 12 -12.034 -0.180 1.693 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.580 1.469 3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.835 1.769 4.536 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.857 2.007 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.464 0.488 3.473 1.00 0.00 H new ATOM 177 N LEU A 13 -10.709 -1.523 4.314 1.00 0.00 N ATOM 178 CA LEU A 13 -10.422 -2.540 5.322 1.00 0.00 C ATOM 179 C LEU A 13 -8.927 -2.612 5.613 1.00 0.00 C ATOM 180 O LEU A 13 -8.513 -2.795 6.762 1.00 0.00 O ATOM 181 CB LEU A 13 -10.916 -3.909 4.843 1.00 0.00 C ATOM 182 CG LEU A 13 -12.412 -3.984 4.517 1.00 0.00 C ATOM 183 CD1 LEU A 13 -12.754 -5.337 3.904 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.250 -3.720 5.767 1.00 0.00 C ATOM 0 H LEU A 13 -10.610 -1.849 3.353 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.943 -2.264 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.352 -4.191 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.690 -4.648 5.611 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.648 -3.210 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.820 -5.375 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.183 -5.475 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.504 -6.130 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.309 -3.778 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.017 -4.467 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.023 -2.727 6.154 1.00 0.00 H new ATOM 196 N SER A 14 -8.117 -2.474 4.570 1.00 0.00 N ATOM 197 CA SER A 14 -6.674 -2.625 4.698 1.00 0.00 C ATOM 198 C SER A 14 -5.945 -1.781 3.657 1.00 0.00 C ATOM 199 O SER A 14 -6.221 -1.871 2.457 1.00 0.00 O ATOM 200 CB SER A 14 -6.287 -4.099 4.560 1.00 0.00 C ATOM 201 OG SER A 14 -7.015 -4.907 5.477 1.00 0.00 O ATOM 0 H SER A 14 -8.436 -2.258 3.626 1.00 0.00 H new ATOM 0 HA SER A 14 -6.376 -2.273 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.480 -4.435 3.541 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.218 -4.216 4.737 1.00 0.00 H new ATOM 0 HG SER A 14 -6.751 -5.844 5.368 1.00 0.00 H new ATOM 207 N PHE A 15 -5.000 -0.983 4.136 1.00 0.00 N ATOM 208 CA PHE A 15 -4.265 -0.048 3.296 1.00 0.00 C ATOM 209 C PHE A 15 -3.428 -0.785 2.254 1.00 0.00 C ATOM 210 O PHE A 15 -3.383 -0.381 1.100 1.00 0.00 O ATOM 211 CB PHE A 15 -3.378 0.856 4.166 1.00 0.00 C ATOM 212 CG PHE A 15 -2.595 1.885 3.387 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.161 2.536 2.298 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.296 2.204 3.747 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.447 3.478 1.589 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.578 3.146 3.041 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.155 3.783 1.959 1.00 0.00 C ATOM 0 H PHE A 15 -4.722 -0.966 5.117 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.984 0.574 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.005 1.368 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.681 0.233 4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.173 2.301 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.840 1.709 4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.900 3.976 0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.434 3.386 3.333 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.594 4.520 1.403 1.00 0.00 H new ATOM 227 N GLU A 16 -2.770 -1.864 2.672 1.00 0.00 N ATOM 228 CA GLU A 16 -1.969 -2.688 1.769 1.00 0.00 C ATOM 229 C GLU A 16 -2.796 -3.141 0.565 1.00 0.00 C ATOM 230 O GLU A 16 -2.347 -3.036 -0.574 1.00 0.00 O ATOM 231 CB GLU A 16 -1.386 -3.892 2.536 1.00 0.00 C ATOM 232 CG GLU A 16 -0.697 -4.951 1.670 1.00 0.00 C ATOM 233 CD GLU A 16 -1.649 -6.043 1.196 1.00 0.00 C ATOM 234 OE1 GLU A 16 -2.192 -6.772 2.057 1.00 0.00 O ATOM 235 OE2 GLU A 16 -1.863 -6.175 -0.027 1.00 0.00 O ATOM 0 H GLU A 16 -2.776 -2.190 3.638 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.141 -2.090 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.668 -3.522 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.191 -4.371 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.247 -4.467 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.115 -5.405 2.238 1.00 0.00 H new ATOM 242 N ARG A 17 -4.014 -3.615 0.820 1.00 0.00 N ATOM 243 CA ARG A 17 -4.884 -4.094 -0.254 1.00 0.00 C ATOM 244 C ARG A 17 -5.235 -2.960 -1.218 1.00 0.00 C ATOM 245 O ARG A 17 -5.334 -3.172 -2.430 1.00 0.00 O ATOM 246 CB ARG A 17 -6.158 -4.729 0.315 1.00 0.00 C ATOM 247 CG ARG A 17 -5.895 -5.955 1.189 1.00 0.00 C ATOM 248 CD ARG A 17 -7.169 -6.755 1.428 1.00 0.00 C ATOM 249 NE ARG A 17 -7.737 -7.239 0.169 1.00 0.00 N ATOM 250 CZ ARG A 17 -8.950 -7.777 0.039 1.00 0.00 C ATOM 251 NH1 ARG A 17 -9.734 -7.942 1.096 1.00 0.00 N ATOM 252 NH2 ARG A 17 -9.368 -8.158 -1.159 1.00 0.00 N ATOM 0 H ARG A 17 -4.419 -3.678 1.754 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.340 -4.859 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.694 -3.983 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.811 -5.015 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.150 -6.591 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.478 -5.639 2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.953 -7.601 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.900 -6.133 1.944 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.163 -7.159 -0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.411 -7.656 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.660 -8.355 0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.763 -8.039 -1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.294 -8.571 -1.269 1.00 0.00 H new ATOM 266 N LEU A 18 -5.425 -1.764 -0.669 1.00 0.00 N ATOM 267 CA LEU A 18 -5.651 -0.559 -1.473 1.00 0.00 C ATOM 268 C LEU A 18 -4.393 -0.211 -2.265 1.00 0.00 C ATOM 269 O LEU A 18 -4.445 0.092 -3.458 1.00 0.00 O ATOM 270 CB LEU A 18 -6.017 0.621 -0.554 1.00 0.00 C ATOM 271 CG LEU A 18 -5.986 2.014 -1.215 1.00 0.00 C ATOM 272 CD1 LEU A 18 -7.114 2.168 -2.229 1.00 0.00 C ATOM 273 CD2 LEU A 18 -6.044 3.119 -0.164 1.00 0.00 C ATOM 0 H LEU A 18 -5.427 -1.599 0.338 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.470 -0.750 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.017 0.450 -0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.331 0.625 0.293 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.041 2.107 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.066 3.160 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.010 1.412 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.074 2.043 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.021 4.091 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.965 3.026 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.188 3.030 0.505 1.00 0.00 H new ATOM 285 N LEU A 19 -3.266 -0.290 -1.578 1.00 0.00 N ATOM 286 CA LEU A 19 -1.988 0.183 -2.089 1.00 0.00 C ATOM 287 C LEU A 19 -1.389 -0.810 -3.084 1.00 0.00 C ATOM 288 O LEU A 19 -0.511 -0.462 -3.873 1.00 0.00 O ATOM 289 CB LEU A 19 -1.040 0.416 -0.902 1.00 0.00 C ATOM 290 CG LEU A 19 0.236 1.203 -1.208 1.00 0.00 C ATOM 291 CD1 LEU A 19 -0.096 2.539 -1.872 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.044 1.430 0.067 1.00 0.00 C ATOM 0 H LEU A 19 -3.211 -0.688 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.137 1.120 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.589 0.942 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.756 -0.554 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 19 0.838 0.616 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.826 3.081 -2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.630 2.359 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.722 3.131 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.948 1.991 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.444 1.993 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.317 0.468 0.501 1.00 0.00 H new ATOM 304 N GLN A 20 -1.866 -2.048 -3.035 1.00 0.00 N ATOM 305 CA GLN A 20 -1.421 -3.087 -3.960 1.00 0.00 C ATOM 306 C GLN A 20 -2.420 -3.229 -5.113 1.00 0.00 C ATOM 307 O GLN A 20 -2.177 -3.953 -6.080 1.00 0.00 O ATOM 308 CB GLN A 20 -1.263 -4.426 -3.217 1.00 0.00 C ATOM 309 CG GLN A 20 -0.578 -5.520 -4.034 1.00 0.00 C ATOM 310 CD GLN A 20 0.856 -5.174 -4.421 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.549 -4.436 -3.560 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 1.345 -5.584 -5.477 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.565 -2.359 -2.361 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.453 -2.802 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.690 -4.257 -2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.249 -4.779 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.579 -6.447 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.157 -5.705 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.783 -6.148 -6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.311 -5.359 -5.713 1.00 0.00 H new ATOM 321 N ASP A 21 -3.541 -2.522 -5.004 1.00 0.00 N ATOM 322 CA ASP A 21 -4.598 -2.585 -6.013 1.00 0.00 C ATOM 323 C ASP A 21 -4.283 -1.622 -7.159 1.00 0.00 C ATOM 324 O ASP A 21 -3.963 -0.462 -6.913 1.00 0.00 O ATOM 325 CB ASP A 21 -5.954 -2.226 -5.384 1.00 0.00 C ATOM 326 CG ASP A 21 -7.135 -2.566 -6.285 1.00 0.00 C ATOM 327 OD1 ASP A 21 -7.361 -1.856 -7.286 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.848 -3.552 -5.987 1.00 0.00 O ATOM 0 H ASP A 21 -3.743 -1.896 -4.224 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.650 -3.601 -6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.061 -2.756 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.972 -1.160 -5.156 1.00 0.00 H new ATOM 333 N PRO A 22 -4.354 -2.087 -8.421 1.00 0.00 N ATOM 334 CA PRO A 22 -4.086 -1.237 -9.592 1.00 0.00 C ATOM 335 C PRO A 22 -4.950 0.026 -9.604 1.00 0.00 C ATOM 336 O PRO A 22 -4.439 1.141 -9.743 1.00 0.00 O ATOM 337 CB PRO A 22 -4.427 -2.147 -10.782 1.00 0.00 C ATOM 338 CG PRO A 22 -4.258 -3.533 -10.254 1.00 0.00 C ATOM 339 CD PRO A 22 -4.677 -3.474 -8.811 1.00 0.00 C ATOM 0 HA PRO A 22 -3.059 -0.872 -9.606 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.445 -1.977 -11.132 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.764 -1.961 -11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.871 -4.241 -10.811 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.224 -3.864 -10.348 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.739 -3.689 -8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.135 -4.199 -8.204 1.00 0.00 H new ATOM 347 N LEU A 23 -6.258 -0.156 -9.439 1.00 0.00 N ATOM 348 CA LEU A 23 -7.196 0.963 -9.420 1.00 0.00 C ATOM 349 C LEU A 23 -7.034 1.748 -8.127 1.00 0.00 C ATOM 350 O LEU A 23 -7.039 2.982 -8.127 1.00 0.00 O ATOM 351 CB LEU A 23 -8.641 0.460 -9.556 1.00 0.00 C ATOM 352 CG LEU A 23 -8.984 -0.204 -10.900 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.411 -0.749 -10.887 1.00 0.00 C ATOM 354 CD2 LEU A 23 -8.796 0.787 -12.050 1.00 0.00 C ATOM 0 H LEU A 23 -6.693 -1.070 -9.316 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.979 1.616 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.836 -0.255 -8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.317 1.301 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.303 -1.041 -11.051 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.632 -1.214 -11.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.510 -1.490 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.111 0.068 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.043 0.300 -12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.451 1.645 -11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.759 1.123 -12.075 1.00 0.00 H new ATOM 366 N GLY A 24 -6.870 1.010 -7.035 1.00 0.00 N ATOM 367 CA GLY A 24 -6.704 1.611 -5.728 1.00 0.00 C ATOM 368 C GLY A 24 -5.562 2.601 -5.693 1.00 0.00 C ATOM 369 O GLY A 24 -5.774 3.788 -5.448 1.00 0.00 O ATOM 0 H GLY A 24 -6.849 -0.010 -7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.627 2.115 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.526 0.828 -4.990 1.00 0.00 H new ATOM 373 N LEU A 25 -4.356 2.115 -5.969 1.00 0.00 N ATOM 374 CA LEU A 25 -3.154 2.942 -5.951 1.00 0.00 C ATOM 375 C LEU A 25 -3.295 4.099 -6.946 1.00 0.00 C ATOM 376 O LEU A 25 -2.884 5.220 -6.662 1.00 0.00 O ATOM 377 CB LEU A 25 -1.910 2.089 -6.292 1.00 0.00 C ATOM 378 CG LEU A 25 -0.597 2.478 -5.574 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.558 1.601 -6.054 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.263 3.958 -5.761 1.00 0.00 C ATOM 0 H LEU A 25 -4.184 1.139 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.028 3.354 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.133 1.048 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.741 2.144 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.745 2.309 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.473 1.890 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.335 0.556 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.691 1.731 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.667 4.190 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.148 4.174 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.069 4.567 -5.352 1.00 0.00 H new ATOM 392 N ALA A 26 -3.891 3.816 -8.105 1.00 0.00 N ATOM 393 CA ALA A 26 -4.060 4.821 -9.158 1.00 0.00 C ATOM 394 C ALA A 26 -4.841 6.034 -8.648 1.00 0.00 C ATOM 395 O ALA A 26 -4.373 7.171 -8.728 1.00 0.00 O ATOM 396 CB ALA A 26 -4.760 4.212 -10.370 1.00 0.00 C ATOM 0 H ALA A 26 -4.266 2.897 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.068 5.160 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.877 4.972 -11.142 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.162 3.388 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.741 3.840 -10.075 1.00 0.00 H new ATOM 402 N TYR A 27 -6.027 5.785 -8.110 1.00 0.00 N ATOM 403 CA TYR A 27 -6.881 6.864 -7.620 1.00 0.00 C ATOM 404 C TYR A 27 -6.346 7.417 -6.298 1.00 0.00 C ATOM 405 O TYR A 27 -6.483 8.610 -6.006 1.00 0.00 O ATOM 406 CB TYR A 27 -8.326 6.370 -7.470 1.00 0.00 C ATOM 407 CG TYR A 27 -8.953 5.929 -8.786 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.018 6.801 -9.869 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.473 4.647 -8.948 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.582 6.411 -11.069 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.038 4.252 -10.147 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.090 5.138 -11.203 1.00 0.00 C ATOM 413 OH TYR A 27 -10.657 4.749 -12.397 1.00 0.00 O ATOM 0 H TYR A 27 -6.421 4.850 -8.001 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.873 7.676 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.346 5.536 -6.769 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.931 7.166 -7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.621 7.800 -9.770 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.434 3.950 -8.124 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.624 7.102 -11.898 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.437 3.254 -10.256 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.966 3.822 -12.326 1.00 0.00 H new ATOM 423 N PHE A 28 -5.715 6.549 -5.517 1.00 0.00 N ATOM 424 CA PHE A 28 -5.106 6.944 -4.252 1.00 0.00 C ATOM 425 C PHE A 28 -3.994 7.962 -4.493 1.00 0.00 C ATOM 426 O PHE A 28 -3.927 8.995 -3.821 1.00 0.00 O ATOM 427 CB PHE A 28 -4.563 5.705 -3.522 1.00 0.00 C ATOM 428 CG PHE A 28 -3.790 6.012 -2.265 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.426 6.545 -1.155 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.427 5.759 -2.194 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.721 6.822 -0.002 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.718 6.035 -1.043 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.365 6.567 0.055 1.00 0.00 C ATOM 0 H PHE A 28 -5.611 5.559 -5.740 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.864 7.412 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.398 5.052 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.919 5.150 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.486 6.746 -1.193 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.916 5.342 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.229 7.238 0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.658 5.835 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.811 6.783 0.957 1.00 0.00 H new ATOM 443 N THR A 29 -3.139 7.682 -5.476 1.00 0.00 N ATOM 444 CA THR A 29 -2.023 8.562 -5.787 1.00 0.00 C ATOM 445 C THR A 29 -2.524 9.834 -6.468 1.00 0.00 C ATOM 446 O THR A 29 -1.851 10.858 -6.430 1.00 0.00 O ATOM 447 CB THR A 29 -0.948 7.869 -6.669 1.00 0.00 C ATOM 448 OG1 THR A 29 0.235 8.679 -6.729 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.454 7.615 -8.087 1.00 0.00 C ATOM 0 H THR A 29 -3.201 6.853 -6.067 1.00 0.00 H new ATOM 0 HA THR A 29 -1.546 8.820 -4.841 1.00 0.00 H new ATOM 0 HB THR A 29 -0.721 6.907 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.908 8.234 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.672 7.129 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.332 6.971 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.719 8.563 -8.554 1.00 0.00 H new ATOM 457 N GLU A 30 -3.707 9.769 -7.086 1.00 0.00 N ATOM 458 CA GLU A 30 -4.340 10.958 -7.659 1.00 0.00 C ATOM 459 C GLU A 30 -4.537 12.017 -6.573 1.00 0.00 C ATOM 460 O GLU A 30 -4.014 13.127 -6.674 1.00 0.00 O ATOM 461 CB GLU A 30 -5.681 10.595 -8.324 1.00 0.00 C ATOM 462 CG GLU A 30 -6.531 11.797 -8.752 1.00 0.00 C ATOM 463 CD GLU A 30 -5.783 12.797 -9.628 1.00 0.00 C ATOM 464 OE1 GLU A 30 -5.242 12.396 -10.684 1.00 0.00 O ATOM 465 OE2 GLU A 30 -5.727 13.993 -9.259 1.00 0.00 O ATOM 0 H GLU A 30 -4.243 8.909 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.687 11.367 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.481 9.978 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.261 9.986 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.406 11.437 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.895 12.309 -7.861 1.00 0.00 H new ATOM 472 N PHE A 31 -5.261 11.658 -5.517 1.00 0.00 N ATOM 473 CA PHE A 31 -5.493 12.582 -4.408 1.00 0.00 C ATOM 474 C PHE A 31 -4.189 12.889 -3.673 1.00 0.00 C ATOM 475 O PHE A 31 -3.931 14.032 -3.290 1.00 0.00 O ATOM 476 CB PHE A 31 -6.534 12.014 -3.435 1.00 0.00 C ATOM 477 CG PHE A 31 -7.924 11.964 -4.014 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.740 13.087 -3.983 1.00 0.00 C ATOM 479 CD2 PHE A 31 -8.413 10.803 -4.593 1.00 0.00 C ATOM 480 CE1 PHE A 31 -10.014 13.050 -4.515 1.00 0.00 C ATOM 481 CE2 PHE A 31 -9.685 10.761 -5.126 1.00 0.00 C ATOM 482 CZ PHE A 31 -10.487 11.887 -5.087 1.00 0.00 C ATOM 0 H PHE A 31 -5.695 10.742 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.880 13.513 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.234 11.009 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.546 12.622 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.374 14.000 -3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.791 9.921 -4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.639 13.930 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.054 9.850 -5.573 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.483 11.856 -5.504 1.00 0.00 H new ATOM 492 N LEU A 32 -3.356 11.869 -3.512 1.00 0.00 N ATOM 493 CA LEU A 32 -2.092 12.004 -2.791 1.00 0.00 C ATOM 494 C LEU A 32 -1.113 12.907 -3.557 1.00 0.00 C ATOM 495 O LEU A 32 -0.258 13.562 -2.961 1.00 0.00 O ATOM 496 CB LEU A 32 -1.494 10.611 -2.544 1.00 0.00 C ATOM 497 CG LEU A 32 -0.302 10.536 -1.573 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.607 11.262 -0.266 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.053 9.080 -1.306 1.00 0.00 C ATOM 0 H LEU A 32 -3.533 10.932 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.279 12.481 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.284 9.963 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.179 10.200 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 32 0.551 11.033 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.254 11.191 0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.820 12.311 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.473 10.803 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.897 9.032 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.804 8.572 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.321 8.593 -2.244 1.00 0.00 H new ATOM 511 N LYS A 33 -1.247 12.951 -4.880 1.00 0.00 N ATOM 512 CA LYS A 33 -0.444 13.854 -5.710 1.00 0.00 C ATOM 513 C LYS A 33 -1.152 15.202 -5.842 1.00 0.00 C ATOM 514 O LYS A 33 -0.522 16.229 -6.099 1.00 0.00 O ATOM 515 CB LYS A 33 -0.137 13.207 -7.087 1.00 0.00 C ATOM 516 CG LYS A 33 -0.410 14.073 -8.324 1.00 0.00 C ATOM 517 CD LYS A 33 -1.877 14.015 -8.761 1.00 0.00 C ATOM 518 CE LYS A 33 -2.119 14.793 -10.050 1.00 0.00 C ATOM 519 NZ LYS A 33 -3.533 14.702 -10.495 1.00 0.00 N ATOM 0 H LYS A 33 -1.904 12.373 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 33 0.517 14.032 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.913 12.914 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.724 12.293 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.138 15.106 -8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.225 13.740 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.172 12.975 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.508 14.419 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.853 15.839 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.466 14.409 -10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.752 15.503 -11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.678 13.810 -11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.160 14.730 -9.666 1.00 0.00 H new ATOM 533 N LYS A 34 -2.464 15.188 -5.634 1.00 0.00 N ATOM 534 CA LYS A 34 -3.272 16.403 -5.663 1.00 0.00 C ATOM 535 C LYS A 34 -2.866 17.328 -4.517 1.00 0.00 C ATOM 536 O LYS A 34 -2.843 18.554 -4.660 1.00 0.00 O ATOM 537 CB LYS A 34 -4.758 16.039 -5.573 1.00 0.00 C ATOM 538 CG LYS A 34 -5.710 17.211 -5.785 1.00 0.00 C ATOM 539 CD LYS A 34 -7.167 16.753 -5.824 1.00 0.00 C ATOM 540 CE LYS A 34 -7.407 15.706 -6.910 1.00 0.00 C ATOM 541 NZ LYS A 34 -6.996 16.187 -8.258 1.00 0.00 N ATOM 0 H LYS A 34 -2.996 14.339 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.102 16.929 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.977 15.271 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.953 15.601 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.578 17.937 -4.983 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.462 17.717 -6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.444 16.340 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.813 17.613 -6.000 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.854 14.799 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.464 15.440 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.802 16.118 -8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.686 17.178 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.212 15.602 -8.611 1.00 0.00 H new ATOM 555 N GLU A 35 -2.542 16.725 -3.378 1.00 0.00 N ATOM 556 CA GLU A 35 -2.027 17.460 -2.224 1.00 0.00 C ATOM 557 C GLU A 35 -0.502 17.593 -2.315 1.00 0.00 C ATOM 558 O GLU A 35 0.117 18.345 -1.553 1.00 0.00 O ATOM 559 CB GLU A 35 -2.422 16.745 -0.924 1.00 0.00 C ATOM 560 CG GLU A 35 -1.904 15.314 -0.826 1.00 0.00 C ATOM 561 CD GLU A 35 -2.226 14.660 0.507 1.00 0.00 C ATOM 562 OE1 GLU A 35 -1.483 14.901 1.481 1.00 0.00 O ATOM 563 OE2 GLU A 35 -3.222 13.907 0.589 1.00 0.00 O ATOM 0 H GLU A 35 -2.627 15.720 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.463 18.459 -2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.044 17.317 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.509 16.734 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.337 14.720 -1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.824 15.313 -0.975 1.00 0.00 H new ATOM 570 N PHE A 36 0.077 16.852 -3.262 1.00 0.00 N ATOM 571 CA PHE A 36 1.519 16.801 -3.491 1.00 0.00 C ATOM 572 C PHE A 36 2.206 16.096 -2.327 1.00 0.00 C ATOM 573 O PHE A 36 2.802 16.728 -1.453 1.00 0.00 O ATOM 574 CB PHE A 36 2.131 18.198 -3.729 1.00 0.00 C ATOM 575 CG PHE A 36 3.580 18.149 -4.172 1.00 0.00 C ATOM 576 CD1 PHE A 36 3.901 17.961 -5.510 1.00 0.00 C ATOM 577 CD2 PHE A 36 4.615 18.274 -3.253 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.220 17.902 -5.921 1.00 0.00 C ATOM 579 CE2 PHE A 36 5.936 18.214 -3.660 1.00 0.00 C ATOM 580 CZ PHE A 36 6.238 18.028 -4.995 1.00 0.00 C ATOM 0 H PHE A 36 -0.454 16.261 -3.901 1.00 0.00 H new ATOM 0 HA PHE A 36 1.686 16.231 -4.405 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.544 18.720 -4.485 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.058 18.780 -2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.110 17.860 -6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.385 18.420 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.454 17.758 -6.965 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.730 18.312 -2.935 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.269 17.981 -5.315 1.00 0.00 H new ATOM 590 N SER A 37 2.047 14.783 -2.296 1.00 0.00 N ATOM 591 CA SER A 37 2.665 13.943 -1.280 1.00 0.00 C ATOM 592 C SER A 37 2.804 12.505 -1.785 1.00 0.00 C ATOM 593 O SER A 37 3.108 11.598 -1.015 1.00 0.00 O ATOM 594 CB SER A 37 1.826 13.976 0.006 1.00 0.00 C ATOM 595 OG SER A 37 1.805 15.277 0.577 1.00 0.00 O ATOM 0 H SER A 37 1.486 14.268 -2.974 1.00 0.00 H new ATOM 0 HA SER A 37 3.661 14.329 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.807 13.657 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.234 13.267 0.727 1.00 0.00 H new ATOM 0 HG SER A 37 2.470 15.841 0.130 1.00 0.00 H new ATOM 601 N ALA A 38 2.628 12.314 -3.098 1.00 0.00 N ATOM 602 CA ALA A 38 2.637 10.977 -3.702 1.00 0.00 C ATOM 603 C ALA A 38 4.061 10.443 -3.838 1.00 0.00 C ATOM 604 O ALA A 38 4.291 9.365 -4.390 1.00 0.00 O ATOM 605 CB ALA A 38 1.948 11.004 -5.061 1.00 0.00 C ATOM 0 H ALA A 38 2.477 13.072 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 38 2.087 10.306 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.963 10.005 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.916 11.331 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.472 11.695 -5.721 1.00 0.00 H new ATOM 611 N GLU A 39 5.008 11.208 -3.328 1.00 0.00 N ATOM 612 CA GLU A 39 6.417 10.836 -3.353 1.00 0.00 C ATOM 613 C GLU A 39 6.678 9.711 -2.350 1.00 0.00 C ATOM 614 O GLU A 39 7.708 9.038 -2.393 1.00 0.00 O ATOM 615 CB GLU A 39 7.280 12.066 -3.038 1.00 0.00 C ATOM 616 CG GLU A 39 7.267 13.134 -4.140 1.00 0.00 C ATOM 617 CD GLU A 39 5.863 13.520 -4.596 1.00 0.00 C ATOM 618 OE1 GLU A 39 5.100 14.094 -3.790 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.504 13.218 -5.758 1.00 0.00 O ATOM 0 H GLU A 39 4.825 12.107 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 39 6.682 10.473 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.931 12.514 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.308 11.743 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.781 14.025 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.831 12.767 -4.997 1.00 0.00 H new ATOM 626 N ASN A 40 5.712 9.507 -1.468 1.00 0.00 N ATOM 627 CA ASN A 40 5.782 8.466 -0.449 1.00 0.00 C ATOM 628 C ASN A 40 5.518 7.083 -1.057 1.00 0.00 C ATOM 629 O ASN A 40 6.198 6.111 -0.725 1.00 0.00 O ATOM 630 CB ASN A 40 4.760 8.768 0.661 1.00 0.00 C ATOM 631 CG ASN A 40 3.327 8.800 0.147 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.088 8.981 -1.046 1.00 0.00 O ATOM 633 ND2 ASN A 40 2.365 8.670 1.044 1.00 0.00 N ATOM 0 H ASN A 40 4.855 10.059 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 40 6.786 8.457 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.845 8.013 1.442 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.999 9.728 1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.388 8.719 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.600 8.521 2.025 1.00 0.00 H new ATOM 640 N VAL A 41 4.539 7.003 -1.960 1.00 0.00 N ATOM 641 CA VAL A 41 4.141 5.726 -2.551 1.00 0.00 C ATOM 642 C VAL A 41 5.144 5.259 -3.598 1.00 0.00 C ATOM 643 O VAL A 41 5.355 4.058 -3.764 1.00 0.00 O ATOM 644 CB VAL A 41 2.721 5.778 -3.178 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.671 6.048 -2.104 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.641 6.823 -4.291 1.00 0.00 C ATOM 0 H VAL A 41 4.009 7.806 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 41 4.121 5.009 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 41 2.516 4.805 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.682 6.081 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.700 5.253 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.880 7.003 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.634 6.834 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.876 7.807 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.356 6.575 -5.075 1.00 0.00 H new ATOM 656 N THR A 42 5.766 6.203 -4.304 1.00 0.00 N ATOM 657 CA THR A 42 6.797 5.852 -5.273 1.00 0.00 C ATOM 658 C THR A 42 8.044 5.351 -4.541 1.00 0.00 C ATOM 659 O THR A 42 8.683 4.395 -4.976 1.00 0.00 O ATOM 660 CB THR A 42 7.144 7.025 -6.226 1.00 0.00 C ATOM 661 OG1 THR A 42 8.192 6.639 -7.122 1.00 0.00 O ATOM 662 CG2 THR A 42 7.559 8.270 -5.458 1.00 0.00 C ATOM 0 H THR A 42 5.576 7.202 -4.224 1.00 0.00 H new ATOM 0 HA THR A 42 6.402 5.054 -5.902 1.00 0.00 H new ATOM 0 HB THR A 42 6.245 7.264 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.402 7.386 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.794 9.069 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.742 8.586 -4.809 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.438 8.048 -4.853 1.00 0.00 H new ATOM 670 N PHE A 43 8.365 5.979 -3.405 1.00 0.00 N ATOM 671 CA PHE A 43 9.429 5.485 -2.529 1.00 0.00 C ATOM 672 C PHE A 43 9.074 4.088 -2.017 1.00 0.00 C ATOM 673 O PHE A 43 9.912 3.181 -1.999 1.00 0.00 O ATOM 674 CB PHE A 43 9.637 6.447 -1.346 1.00 0.00 C ATOM 675 CG PHE A 43 10.495 5.882 -0.238 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.860 5.705 -0.418 1.00 0.00 C ATOM 677 CD2 PHE A 43 9.935 5.526 0.983 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.645 5.185 0.593 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.717 5.006 1.997 1.00 0.00 C ATOM 680 CZ PHE A 43 12.073 4.835 1.801 1.00 0.00 C ATOM 0 H PHE A 43 7.905 6.827 -3.073 1.00 0.00 H new ATOM 0 HA PHE A 43 10.357 5.430 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.095 7.365 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.664 6.718 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.314 5.977 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.875 5.657 1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.706 5.052 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.268 4.734 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.686 4.428 2.591 1.00 0.00 H new ATOM 690 N TRP A 44 7.816 3.930 -1.615 1.00 0.00 N ATOM 691 CA TRP A 44 7.304 2.660 -1.108 1.00 0.00 C ATOM 692 C TRP A 44 7.491 1.547 -2.142 1.00 0.00 C ATOM 693 O TRP A 44 8.139 0.533 -1.868 1.00 0.00 O ATOM 694 CB TRP A 44 5.819 2.817 -0.744 1.00 0.00 C ATOM 695 CG TRP A 44 5.167 1.566 -0.228 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.165 1.110 1.059 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.408 0.620 -0.991 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.461 -0.071 1.139 1.00 0.00 N ATOM 699 CE2 TRP A 44 3.985 -0.390 -0.106 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.047 0.530 -2.337 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.222 -1.478 -0.528 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.289 -0.546 -2.755 1.00 0.00 C ATOM 703 CH2 TRP A 44 2.882 -1.539 -1.853 1.00 0.00 C ATOM 0 H TRP A 44 7.123 4.678 -1.631 1.00 0.00 H new ATOM 0 HA TRP A 44 7.864 2.382 -0.215 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.724 3.598 0.010 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.276 3.157 -1.626 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.645 1.603 1.892 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.317 -0.619 1.987 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.356 1.290 -3.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.910 -2.245 0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.005 -0.624 -3.794 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.289 -2.368 -2.210 1.00 0.00 H new ATOM 714 N LYS A 45 6.942 1.751 -3.339 1.00 0.00 N ATOM 715 CA LYS A 45 7.011 0.745 -4.397 1.00 0.00 C ATOM 716 C LYS A 45 8.449 0.562 -4.884 1.00 0.00 C ATOM 717 O LYS A 45 8.812 -0.506 -5.374 1.00 0.00 O ATOM 718 CB LYS A 45 6.094 1.112 -5.576 1.00 0.00 C ATOM 719 CG LYS A 45 6.483 2.405 -6.281 1.00 0.00 C ATOM 720 CD LYS A 45 5.676 2.640 -7.554 1.00 0.00 C ATOM 721 CE LYS A 45 4.182 2.775 -7.278 1.00 0.00 C ATOM 722 NZ LYS A 45 3.412 2.996 -8.531 1.00 0.00 N ATOM 0 H LYS A 45 6.445 2.603 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 45 6.664 -0.198 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.106 0.297 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.070 1.201 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.336 3.244 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.544 2.376 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.035 3.544 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.842 1.813 -8.244 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.820 1.874 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.011 3.606 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.400 3.083 -8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.741 3.869 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.556 2.191 -9.173 1.00 0.00 H new ATOM 736 N ALA A 46 9.266 1.606 -4.743 1.00 0.00 N ATOM 737 CA ALA A 46 10.678 1.532 -5.115 1.00 0.00 C ATOM 738 C ALA A 46 11.387 0.484 -4.266 1.00 0.00 C ATOM 739 O ALA A 46 12.028 -0.428 -4.791 1.00 0.00 O ATOM 740 CB ALA A 46 11.348 2.894 -4.961 1.00 0.00 C ATOM 0 H ALA A 46 8.974 2.511 -4.374 1.00 0.00 H new ATOM 0 HA ALA A 46 10.748 1.239 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.398 2.817 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.851 3.619 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.274 3.221 -3.924 1.00 0.00 H new ATOM 746 N CYS A 47 11.243 0.598 -2.948 1.00 0.00 N ATOM 747 CA CYS A 47 11.846 -0.366 -2.034 1.00 0.00 C ATOM 748 C CYS A 47 11.151 -1.721 -2.163 1.00 0.00 C ATOM 749 O CYS A 47 11.756 -2.771 -1.928 1.00 0.00 O ATOM 750 CB CYS A 47 11.778 0.136 -0.590 1.00 0.00 C ATOM 751 SG CYS A 47 12.522 -0.993 0.613 1.00 0.00 S ATOM 0 H CYS A 47 10.717 1.344 -2.492 1.00 0.00 H new ATOM 0 HA CYS A 47 12.896 -0.484 -2.302 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.280 1.101 -0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.735 0.301 -0.322 1.00 0.00 H new ATOM 0 HG CYS A 47 12.559 -2.194 0.116 1.00 0.00 H new ATOM 757 N GLU A 48 9.881 -1.687 -2.556 1.00 0.00 N ATOM 758 CA GLU A 48 9.111 -2.900 -2.809 1.00 0.00 C ATOM 759 C GLU A 48 9.722 -3.667 -3.985 1.00 0.00 C ATOM 760 O GLU A 48 9.824 -4.894 -3.960 1.00 0.00 O ATOM 761 CB GLU A 48 7.648 -2.531 -3.098 1.00 0.00 C ATOM 762 CG GLU A 48 6.710 -3.722 -3.271 1.00 0.00 C ATOM 763 CD GLU A 48 6.616 -4.594 -2.028 1.00 0.00 C ATOM 764 OE1 GLU A 48 6.470 -4.049 -0.914 1.00 0.00 O ATOM 765 OE2 GLU A 48 6.658 -5.835 -2.161 1.00 0.00 O ATOM 0 H GLU A 48 9.360 -0.823 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 48 9.140 -3.542 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.277 -1.910 -2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.613 -1.924 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.715 -3.359 -3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.054 -4.329 -4.108 1.00 0.00 H new ATOM 772 N ARG A 49 10.151 -2.926 -5.006 1.00 0.00 N ATOM 773 CA ARG A 49 10.800 -3.516 -6.176 1.00 0.00 C ATOM 774 C ARG A 49 12.279 -3.782 -5.893 1.00 0.00 C ATOM 775 O ARG A 49 12.927 -4.561 -6.597 1.00 0.00 O ATOM 776 CB ARG A 49 10.640 -2.602 -7.405 1.00 0.00 C ATOM 777 CG ARG A 49 9.188 -2.432 -7.851 1.00 0.00 C ATOM 778 CD ARG A 49 9.067 -1.763 -9.219 1.00 0.00 C ATOM 779 NE ARG A 49 9.525 -0.370 -9.221 1.00 0.00 N ATOM 780 CZ ARG A 49 9.138 0.538 -10.122 1.00 0.00 C ATOM 781 NH1 ARG A 49 8.305 0.198 -11.100 1.00 0.00 N ATOM 782 NH2 ARG A 49 9.588 1.782 -10.055 1.00 0.00 N ATOM 0 H ARG A 49 10.060 -1.911 -5.046 1.00 0.00 H new ATOM 0 HA ARG A 49 10.315 -4.468 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.059 -1.622 -7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.220 -3.012 -8.231 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.706 -3.409 -7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.652 -1.837 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.647 -2.331 -9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.027 -1.798 -9.543 1.00 0.00 H new ATOM 0 HE ARG A 49 10.176 -0.077 -8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.958 -0.759 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.012 0.894 -11.786 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.234 2.052 -9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.289 2.470 -10.746 1.00 0.00 H new ATOM 796 N PHE A 50 12.797 -3.142 -4.847 1.00 0.00 N ATOM 797 CA PHE A 50 14.186 -3.319 -4.430 1.00 0.00 C ATOM 798 C PHE A 50 14.382 -4.700 -3.799 1.00 0.00 C ATOM 799 O PHE A 50 15.356 -5.395 -4.092 1.00 0.00 O ATOM 800 CB PHE A 50 14.582 -2.206 -3.445 1.00 0.00 C ATOM 801 CG PHE A 50 16.005 -2.282 -2.946 1.00 0.00 C ATOM 802 CD1 PHE A 50 17.069 -2.002 -3.790 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.275 -2.625 -1.627 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.371 -2.062 -3.332 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.574 -2.685 -1.165 1.00 0.00 C ATOM 806 CZ PHE A 50 18.624 -2.404 -2.017 1.00 0.00 C ATOM 0 H PHE A 50 12.269 -2.490 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 50 14.831 -3.254 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.432 -1.241 -3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.909 -2.241 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.877 -1.734 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.459 -2.847 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 50 19.190 -1.842 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.770 -2.952 -0.137 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.641 -2.451 -1.656 1.00 0.00 H new ATOM 816 N GLN A 51 13.440 -5.102 -2.945 1.00 0.00 N ATOM 817 CA GLN A 51 13.494 -6.420 -2.307 1.00 0.00 C ATOM 818 C GLN A 51 13.183 -7.516 -3.328 1.00 0.00 C ATOM 819 O GLN A 51 13.476 -8.691 -3.107 1.00 0.00 O ATOM 820 CB GLN A 51 12.504 -6.502 -1.138 1.00 0.00 C ATOM 821 CG GLN A 51 11.041 -6.468 -1.567 1.00 0.00 C ATOM 822 CD GLN A 51 10.078 -6.690 -0.414 1.00 0.00 C ATOM 823 OE1 GLN A 51 10.401 -7.362 0.568 1.00 0.00 O ATOM 824 NE2 GLN A 51 8.879 -6.155 -0.533 1.00 0.00 N ATOM 0 H GLN A 51 12.633 -4.537 -2.679 1.00 0.00 H new ATOM 0 HA GLN A 51 14.502 -6.568 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.689 -7.421 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.692 -5.673 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.827 -5.505 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.873 -7.232 -2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.646 -5.605 -1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.184 -6.291 0.201 1.00 0.00 H new ATOM 833 N GLN A 52 12.575 -7.111 -4.441 1.00 0.00 N ATOM 834 CA GLN A 52 12.250 -8.025 -5.535 1.00 0.00 C ATOM 835 C GLN A 52 13.532 -8.573 -6.169 1.00 0.00 C ATOM 836 O GLN A 52 13.535 -9.659 -6.758 1.00 0.00 O ATOM 837 CB GLN A 52 11.361 -7.294 -6.564 1.00 0.00 C ATOM 838 CG GLN A 52 11.134 -8.030 -7.888 1.00 0.00 C ATOM 839 CD GLN A 52 12.249 -7.807 -8.904 1.00 0.00 C ATOM 840 OE1 GLN A 52 12.887 -6.642 -8.854 1.00 0.00 O flip ATOM 841 NE2 GLN A 52 12.537 -8.674 -9.731 1.00 0.00 N flip ATOM 0 H GLN A 52 12.295 -6.145 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 52 11.692 -8.880 -5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.391 -7.101 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.810 -6.325 -6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.041 -9.098 -7.690 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.188 -7.702 -8.320 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.027 -9.557 -9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.285 -8.508 -10.404 1.00 0.00 H new ATOM 850 N ILE A 53 14.620 -7.820 -6.035 1.00 0.00 N ATOM 851 CA ILE A 53 15.924 -8.253 -6.519 1.00 0.00 C ATOM 852 C ILE A 53 16.416 -9.430 -5.669 1.00 0.00 C ATOM 853 O ILE A 53 16.493 -9.321 -4.442 1.00 0.00 O ATOM 854 CB ILE A 53 16.953 -7.094 -6.464 1.00 0.00 C ATOM 855 CG1 ILE A 53 16.433 -5.882 -7.259 1.00 0.00 C ATOM 856 CG2 ILE A 53 18.315 -7.550 -6.995 1.00 0.00 C ATOM 857 CD1 ILE A 53 17.319 -4.656 -7.169 1.00 0.00 C ATOM 0 H ILE A 53 14.622 -6.901 -5.592 1.00 0.00 H new ATOM 0 HA ILE A 53 15.823 -8.565 -7.559 1.00 0.00 H new ATOM 0 HB ILE A 53 17.082 -6.795 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.329 -6.166 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.437 -5.625 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 53 19.021 -6.721 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.684 -8.376 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 53 18.211 -7.878 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.883 -3.848 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.404 -4.344 -6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.309 -4.893 -7.558 1.00 0.00 H new ATOM 869 N PRO A 54 16.769 -10.569 -6.301 1.00 0.00 N ATOM 870 CA PRO A 54 17.119 -11.809 -5.583 1.00 0.00 C ATOM 871 C PRO A 54 18.521 -11.773 -4.960 1.00 0.00 C ATOM 872 O PRO A 54 19.146 -12.818 -4.787 1.00 0.00 O ATOM 873 CB PRO A 54 17.049 -12.869 -6.691 1.00 0.00 C ATOM 874 CG PRO A 54 17.433 -12.130 -7.926 1.00 0.00 C ATOM 875 CD PRO A 54 16.864 -10.742 -7.768 1.00 0.00 C ATOM 0 HA PRO A 54 16.455 -11.992 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 54 17.730 -13.697 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.048 -13.292 -6.775 1.00 0.00 H new ATOM 0 HG2 PRO A 54 18.516 -12.098 -8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.032 -12.618 -8.814 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.511 -9.990 -8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 54 15.889 -10.652 -8.246 1.00 0.00 H new ATOM 883 N ALA A 55 19.005 -10.567 -4.639 1.00 0.00 N ATOM 884 CA ALA A 55 20.326 -10.363 -4.024 1.00 0.00 C ATOM 885 C ALA A 55 21.469 -10.575 -5.028 1.00 0.00 C ATOM 886 O ALA A 55 22.462 -9.842 -5.011 1.00 0.00 O ATOM 887 CB ALA A 55 20.515 -11.259 -2.796 1.00 0.00 C ATOM 0 H ALA A 55 18.491 -9.701 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 55 20.363 -9.323 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.501 -11.083 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.749 -11.028 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 55 20.429 -12.305 -3.092 1.00 0.00 H new ATOM 893 N SER A 56 21.315 -11.573 -5.901 1.00 0.00 N ATOM 894 CA SER A 56 22.320 -11.923 -6.901 1.00 0.00 C ATOM 895 C SER A 56 22.787 -10.697 -7.688 1.00 0.00 C ATOM 896 O SER A 56 23.978 -10.530 -7.951 1.00 0.00 O ATOM 897 CB SER A 56 21.734 -12.964 -7.859 1.00 0.00 C ATOM 898 OG SER A 56 21.117 -14.021 -7.142 1.00 0.00 O ATOM 0 H SER A 56 20.484 -12.163 -5.932 1.00 0.00 H new ATOM 0 HA SER A 56 23.188 -12.333 -6.385 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.004 -12.490 -8.515 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.523 -13.363 -8.496 1.00 0.00 H new ATOM 0 HG SER A 56 20.748 -14.673 -7.774 1.00 0.00 H new ATOM 904 N ASP A 57 21.842 -9.841 -8.058 1.00 0.00 N ATOM 905 CA ASP A 57 22.158 -8.629 -8.807 1.00 0.00 C ATOM 906 C ASP A 57 22.619 -7.532 -7.853 1.00 0.00 C ATOM 907 O ASP A 57 21.916 -6.540 -7.646 1.00 0.00 O ATOM 908 CB ASP A 57 20.942 -8.151 -9.612 1.00 0.00 C ATOM 909 CG ASP A 57 20.402 -9.218 -10.546 1.00 0.00 C ATOM 910 OD1 ASP A 57 21.015 -9.451 -11.609 1.00 0.00 O ATOM 911 OD2 ASP A 57 19.367 -9.833 -10.218 1.00 0.00 O ATOM 0 H ASP A 57 20.850 -9.963 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 57 22.962 -8.857 -9.506 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.154 -7.843 -8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.219 -7.272 -10.193 1.00 0.00 H new ATOM 916 N THR A 58 23.796 -7.722 -7.267 1.00 0.00 N ATOM 917 CA THR A 58 24.339 -6.772 -6.304 1.00 0.00 C ATOM 918 C THR A 58 24.575 -5.415 -6.970 1.00 0.00 C ATOM 919 O THR A 58 24.373 -4.364 -6.354 1.00 0.00 O ATOM 920 CB THR A 58 25.657 -7.301 -5.687 1.00 0.00 C ATOM 921 OG1 THR A 58 25.478 -8.661 -5.253 1.00 0.00 O ATOM 922 CG2 THR A 58 26.093 -6.448 -4.499 1.00 0.00 C ATOM 0 H THR A 58 24.394 -8.529 -7.443 1.00 0.00 H new ATOM 0 HA THR A 58 23.611 -6.650 -5.502 1.00 0.00 H new ATOM 0 HB THR A 58 26.432 -7.251 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 58 24.522 -8.849 -5.151 1.00 0.00 H new ATOM 0 HG21 THR A 58 27.021 -6.845 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.251 -5.421 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 58 25.318 -6.469 -3.733 1.00 0.00 H new ATOM 930 N GLN A 59 24.969 -5.452 -8.240 1.00 0.00 N ATOM 931 CA GLN A 59 25.176 -4.233 -9.015 1.00 0.00 C ATOM 932 C GLN A 59 23.858 -3.474 -9.183 1.00 0.00 C ATOM 933 O GLN A 59 23.828 -2.243 -9.126 1.00 0.00 O ATOM 934 CB GLN A 59 25.830 -4.553 -10.380 1.00 0.00 C ATOM 935 CG GLN A 59 25.123 -5.629 -11.217 1.00 0.00 C ATOM 936 CD GLN A 59 23.857 -5.143 -11.913 1.00 0.00 C ATOM 937 OE1 GLN A 59 23.731 -3.967 -12.253 1.00 0.00 O ATOM 938 NE2 GLN A 59 22.918 -6.050 -12.143 1.00 0.00 N ATOM 0 H GLN A 59 25.151 -6.314 -8.754 1.00 0.00 H new ATOM 0 HA GLN A 59 25.863 -3.586 -8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 59 25.876 -3.635 -10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 59 26.858 -4.871 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.817 -6.004 -11.969 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.870 -6.469 -10.570 1.00 0.00 H new ATOM 0 HE21 GLN A 59 23.058 -7.016 -11.846 1.00 0.00 H new ATOM 0 HE22 GLN A 59 22.055 -5.782 -12.617 1.00 0.00 H new ATOM 947 N GLN A 60 22.763 -4.216 -9.352 1.00 0.00 N ATOM 948 CA GLN A 60 21.446 -3.606 -9.510 1.00 0.00 C ATOM 949 C GLN A 60 20.988 -3.034 -8.177 1.00 0.00 C ATOM 950 O GLN A 60 20.352 -1.984 -8.129 1.00 0.00 O ATOM 951 CB GLN A 60 20.422 -4.623 -10.032 1.00 0.00 C ATOM 952 CG GLN A 60 19.088 -3.989 -10.420 1.00 0.00 C ATOM 953 CD GLN A 60 18.030 -5.005 -10.821 1.00 0.00 C ATOM 954 OE1 GLN A 60 18.338 -6.087 -11.319 1.00 0.00 O ATOM 955 NE2 GLN A 60 16.769 -4.652 -10.624 1.00 0.00 N ATOM 0 H GLN A 60 22.763 -5.236 -9.383 1.00 0.00 H new ATOM 0 HA GLN A 60 21.521 -2.804 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.839 -5.136 -10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.248 -5.379 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.716 -3.400 -9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.250 -3.298 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.552 -3.746 -10.208 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.015 -5.286 -10.888 1.00 0.00 H new ATOM 964 N LEU A 61 21.328 -3.737 -7.098 1.00 0.00 N ATOM 965 CA LEU A 61 21.052 -3.257 -5.747 1.00 0.00 C ATOM 966 C LEU A 61 21.714 -1.899 -5.531 1.00 0.00 C ATOM 967 O LEU A 61 21.104 -0.980 -4.989 1.00 0.00 O ATOM 968 CB LEU A 61 21.563 -4.262 -4.700 1.00 0.00 C ATOM 969 CG LEU A 61 20.828 -5.613 -4.657 1.00 0.00 C ATOM 970 CD1 LEU A 61 21.544 -6.590 -3.728 1.00 0.00 C ATOM 971 CD2 LEU A 61 19.377 -5.424 -4.215 1.00 0.00 C ATOM 0 H LEU A 61 21.796 -4.643 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 61 19.973 -3.153 -5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.620 -4.450 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.493 -3.800 -3.715 1.00 0.00 H new ATOM 0 HG LEU A 61 20.831 -6.032 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.007 -7.538 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 61 22.560 -6.754 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 61 21.577 -6.176 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.875 -6.391 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.355 -4.979 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.865 -4.767 -4.918 1.00 0.00 H new ATOM 983 N ALA A 62 22.963 -1.786 -5.974 1.00 0.00 N ATOM 984 CA ALA A 62 23.719 -0.544 -5.856 1.00 0.00 C ATOM 985 C ALA A 62 23.052 0.577 -6.654 1.00 0.00 C ATOM 986 O ALA A 62 22.782 1.655 -6.122 1.00 0.00 O ATOM 987 CB ALA A 62 25.156 -0.753 -6.326 1.00 0.00 C ATOM 0 H ALA A 62 23.476 -2.546 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 62 23.734 -0.250 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.709 0.182 -6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.632 -1.519 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.155 -1.071 -7.368 1.00 0.00 H new ATOM 993 N GLN A 63 22.777 0.307 -7.932 1.00 0.00 N ATOM 994 CA GLN A 63 22.157 1.295 -8.819 1.00 0.00 C ATOM 995 C GLN A 63 20.799 1.747 -8.276 1.00 0.00 C ATOM 996 O GLN A 63 20.513 2.947 -8.205 1.00 0.00 O ATOM 997 CB GLN A 63 21.978 0.725 -10.235 1.00 0.00 C ATOM 998 CG GLN A 63 23.273 0.280 -10.912 1.00 0.00 C ATOM 999 CD GLN A 63 24.337 1.365 -10.939 1.00 0.00 C ATOM 1000 OE1 GLN A 63 25.193 1.439 -10.057 1.00 0.00 O ATOM 1001 NE2 GLN A 63 24.274 2.238 -11.931 1.00 0.00 N ATOM 0 H GLN A 63 22.974 -0.589 -8.377 1.00 0.00 H new ATOM 0 HA GLN A 63 22.824 2.156 -8.863 1.00 0.00 H new ATOM 0 HB2 GLN A 63 21.298 -0.126 -10.186 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.499 1.480 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.666 -0.593 -10.391 1.00 0.00 H new ATOM 0 HG3 GLN A 63 23.053 -0.030 -11.934 1.00 0.00 H new ATOM 0 HE21 GLN A 63 23.552 2.147 -12.645 1.00 0.00 H new ATOM 0 HE22 GLN A 63 24.948 3.002 -11.982 1.00 0.00 H new ATOM 1010 N GLU A 64 19.980 0.773 -7.886 1.00 0.00 N ATOM 1011 CA GLU A 64 18.625 1.031 -7.403 1.00 0.00 C ATOM 1012 C GLU A 64 18.664 1.822 -6.095 1.00 0.00 C ATOM 1013 O GLU A 64 18.076 2.902 -5.992 1.00 0.00 O ATOM 1014 CB GLU A 64 17.880 -0.297 -7.198 1.00 0.00 C ATOM 1015 CG GLU A 64 16.405 -0.144 -6.835 1.00 0.00 C ATOM 1016 CD GLU A 64 15.573 0.426 -7.973 1.00 0.00 C ATOM 1017 OE1 GLU A 64 15.456 1.665 -8.073 1.00 0.00 O ATOM 1018 OE2 GLU A 64 15.032 -0.367 -8.775 1.00 0.00 O ATOM 0 H GLU A 64 20.236 -0.214 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 64 18.095 1.624 -8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.957 -0.888 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 64 18.379 -0.861 -6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.003 -1.116 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.315 0.506 -5.965 1.00 0.00 H new ATOM 1025 N ALA A 65 19.380 1.282 -5.108 1.00 0.00 N ATOM 1026 CA ALA A 65 19.486 1.908 -3.792 1.00 0.00 C ATOM 1027 C ALA A 65 19.995 3.338 -3.912 1.00 0.00 C ATOM 1028 O ALA A 65 19.510 4.237 -3.229 1.00 0.00 O ATOM 1029 CB ALA A 65 20.398 1.092 -2.880 1.00 0.00 C ATOM 0 H ALA A 65 19.897 0.408 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 65 18.490 1.936 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.464 1.575 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.990 0.088 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.393 1.029 -3.322 1.00 0.00 H new ATOM 1035 N ARG A 66 20.969 3.541 -4.796 1.00 0.00 N ATOM 1036 CA ARG A 66 21.549 4.861 -5.020 1.00 0.00 C ATOM 1037 C ARG A 66 20.507 5.812 -5.601 1.00 0.00 C ATOM 1038 O ARG A 66 20.422 6.974 -5.203 1.00 0.00 O ATOM 1039 CB ARG A 66 22.745 4.766 -5.975 1.00 0.00 C ATOM 1040 CG ARG A 66 23.561 6.052 -6.077 1.00 0.00 C ATOM 1041 CD ARG A 66 24.571 5.986 -7.214 1.00 0.00 C ATOM 1042 NE ARG A 66 25.393 4.775 -7.155 1.00 0.00 N ATOM 1043 CZ ARG A 66 25.433 3.853 -8.116 1.00 0.00 C ATOM 1044 NH1 ARG A 66 24.682 3.987 -9.202 1.00 0.00 N ATOM 1045 NH2 ARG A 66 26.216 2.793 -7.990 1.00 0.00 N ATOM 0 H ARG A 66 21.374 2.803 -5.371 1.00 0.00 H new ATOM 0 HA ARG A 66 21.889 5.249 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.398 3.959 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.384 4.497 -6.968 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.891 6.897 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.082 6.228 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 66 24.044 6.019 -8.168 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.217 6.863 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 66 25.970 4.629 -6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 66 24.072 4.798 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 66 24.715 3.279 -9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 66 26.791 2.680 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 66 26.244 2.089 -8.728 1.00 0.00 H new ATOM 1059 N ASN A 67 19.711 5.306 -6.539 1.00 0.00 N ATOM 1060 CA ASN A 67 18.686 6.109 -7.200 1.00 0.00 C ATOM 1061 C ASN A 67 17.641 6.569 -6.186 1.00 0.00 C ATOM 1062 O ASN A 67 17.315 7.756 -6.104 1.00 0.00 O ATOM 1063 CB ASN A 67 18.020 5.307 -8.326 1.00 0.00 C ATOM 1064 CG ASN A 67 17.021 6.134 -9.120 1.00 0.00 C ATOM 1065 OD1 ASN A 67 17.384 6.804 -10.088 1.00 0.00 O ATOM 1066 ND2 ASN A 67 15.757 6.086 -8.728 1.00 0.00 N ATOM 0 H ASN A 67 19.757 4.339 -6.860 1.00 0.00 H new ATOM 0 HA ASN A 67 19.161 6.988 -7.636 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.788 4.926 -8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.513 4.442 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.046 6.615 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.494 5.520 -7.921 1.00 0.00 H new ATOM 1073 N ILE A 68 17.133 5.616 -5.408 1.00 0.00 N ATOM 1074 CA ILE A 68 16.172 5.906 -4.346 1.00 0.00 C ATOM 1075 C ILE A 68 16.801 6.855 -3.325 1.00 0.00 C ATOM 1076 O ILE A 68 16.164 7.798 -2.845 1.00 0.00 O ATOM 1077 CB ILE A 68 15.722 4.605 -3.628 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.209 3.570 -4.647 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.646 4.907 -2.583 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.880 2.222 -4.035 1.00 0.00 C ATOM 0 H ILE A 68 17.373 4.628 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 68 15.297 6.373 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 68 16.588 4.184 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.318 3.965 -5.135 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.963 3.433 -5.423 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.345 3.981 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.044 5.599 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.781 5.356 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.525 1.546 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.774 1.805 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.104 2.345 -3.280 1.00 0.00 H new ATOM 1092 N TYR A 69 18.070 6.594 -3.020 1.00 0.00 N ATOM 1093 CA TYR A 69 18.842 7.396 -2.078 1.00 0.00 C ATOM 1094 C TYR A 69 18.850 8.867 -2.490 1.00 0.00 C ATOM 1095 O TYR A 69 18.378 9.734 -1.757 1.00 0.00 O ATOM 1096 CB TYR A 69 20.283 6.856 -2.002 1.00 0.00 C ATOM 1097 CG TYR A 69 21.238 7.692 -1.169 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.266 7.587 0.218 1.00 0.00 C ATOM 1099 CD2 TYR A 69 22.122 8.580 -1.774 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.142 8.342 0.975 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.999 9.337 -1.025 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.007 9.215 0.349 1.00 0.00 C ATOM 1103 OH TYR A 69 23.882 9.972 1.100 1.00 0.00 O ATOM 0 H TYR A 69 18.593 5.816 -3.422 1.00 0.00 H new ATOM 0 HA TYR A 69 18.376 7.325 -1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.256 5.846 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.680 6.778 -3.014 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.591 6.903 0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.122 8.678 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.149 8.249 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.677 10.022 -1.512 1.00 0.00 H new ATOM 0 HH TYR A 69 24.191 9.448 1.868 1.00 0.00 H new ATOM 1113 N GLN A 70 19.360 9.130 -3.685 1.00 0.00 N ATOM 1114 CA GLN A 70 19.562 10.494 -4.167 1.00 0.00 C ATOM 1115 C GLN A 70 18.243 11.259 -4.311 1.00 0.00 C ATOM 1116 O GLN A 70 18.214 12.482 -4.163 1.00 0.00 O ATOM 1117 CB GLN A 70 20.304 10.471 -5.512 1.00 0.00 C ATOM 1118 CG GLN A 70 21.736 9.951 -5.419 1.00 0.00 C ATOM 1119 CD GLN A 70 22.395 9.805 -6.780 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.320 8.751 -7.414 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.048 10.858 -7.242 1.00 0.00 N ATOM 0 H GLN A 70 19.645 8.409 -4.347 1.00 0.00 H new ATOM 0 HA GLN A 70 20.163 11.017 -3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.747 9.849 -6.213 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.320 11.480 -5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.326 10.631 -4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.736 8.985 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 70 23.090 11.715 -6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.510 10.813 -8.150 1.00 0.00 H new ATOM 1130 N GLU A 71 17.154 10.547 -4.581 1.00 0.00 N ATOM 1131 CA GLU A 71 15.893 11.202 -4.923 1.00 0.00 C ATOM 1132 C GLU A 71 14.990 11.419 -3.706 1.00 0.00 C ATOM 1133 O GLU A 71 14.323 12.454 -3.608 1.00 0.00 O ATOM 1134 CB GLU A 71 15.164 10.398 -6.011 1.00 0.00 C ATOM 1135 CG GLU A 71 13.956 11.113 -6.613 1.00 0.00 C ATOM 1136 CD GLU A 71 13.495 10.487 -7.922 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.186 10.675 -8.948 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.443 9.812 -7.941 1.00 0.00 O ATOM 0 H GLU A 71 17.116 9.528 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 71 16.134 12.193 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.869 10.165 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.836 9.448 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.134 11.095 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.207 12.160 -6.784 1.00 0.00 H new ATOM 1145 N PHE A 72 14.971 10.467 -2.773 1.00 0.00 N ATOM 1146 CA PHE A 72 14.044 10.536 -1.635 1.00 0.00 C ATOM 1147 C PHE A 72 14.771 10.625 -0.296 1.00 0.00 C ATOM 1148 O PHE A 72 14.225 11.143 0.683 1.00 0.00 O ATOM 1149 CB PHE A 72 13.141 9.294 -1.611 1.00 0.00 C ATOM 1150 CG PHE A 72 12.417 9.032 -2.903 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.320 9.798 -3.269 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.829 8.010 -3.748 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.652 9.550 -4.451 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.164 7.761 -4.930 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.074 8.530 -5.281 1.00 0.00 C ATOM 0 H PHE A 72 15.578 9.647 -2.778 1.00 0.00 H new ATOM 0 HA PHE A 72 13.454 11.442 -1.770 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.748 8.423 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.407 9.408 -0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.985 10.596 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.680 7.403 -3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.800 10.153 -4.727 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.496 6.965 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.550 8.334 -6.205 1.00 0.00 H new ATOM 1165 N LEU A 73 15.994 10.115 -0.246 1.00 0.00 N ATOM 1166 CA LEU A 73 16.651 9.835 1.029 1.00 0.00 C ATOM 1167 C LEU A 73 17.862 10.732 1.295 1.00 0.00 C ATOM 1168 O LEU A 73 18.307 10.836 2.443 1.00 0.00 O ATOM 1169 CB LEU A 73 17.059 8.360 1.050 1.00 0.00 C ATOM 1170 CG LEU A 73 15.887 7.377 0.854 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.379 5.979 0.479 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.026 7.326 2.114 1.00 0.00 C ATOM 0 H LEU A 73 16.552 9.886 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 73 15.942 10.052 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.798 8.188 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.546 8.143 2.001 1.00 0.00 H new ATOM 0 HG LEU A 73 15.280 7.741 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.524 5.315 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.944 6.030 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.020 5.594 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.202 6.629 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 73 15.633 6.994 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.628 8.319 2.323 1.00 0.00 H new ATOM 1184 N SER A 74 18.388 11.386 0.261 1.00 0.00 N ATOM 1185 CA SER A 74 19.580 12.218 0.419 1.00 0.00 C ATOM 1186 C SER A 74 19.278 13.431 1.307 1.00 0.00 C ATOM 1187 O SER A 74 18.113 13.777 1.518 1.00 0.00 O ATOM 1188 CB SER A 74 20.105 12.666 -0.950 1.00 0.00 C ATOM 1189 OG SER A 74 19.121 13.392 -1.663 1.00 0.00 O ATOM 0 H SER A 74 18.012 11.357 -0.687 1.00 0.00 H new ATOM 0 HA SER A 74 20.353 11.624 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.992 13.285 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.408 11.794 -1.529 1.00 0.00 H new ATOM 0 HG SER A 74 18.938 12.944 -2.515 1.00 0.00 H new ATOM 1195 N SER A 75 20.330 14.065 1.825 1.00 0.00 N ATOM 1196 CA SER A 75 20.189 15.220 2.717 1.00 0.00 C ATOM 1197 C SER A 75 19.280 16.296 2.116 1.00 0.00 C ATOM 1198 O SER A 75 18.585 17.008 2.841 1.00 0.00 O ATOM 1199 CB SER A 75 21.568 15.809 3.027 1.00 0.00 C ATOM 1200 OG SER A 75 22.412 14.838 3.626 1.00 0.00 O ATOM 0 H SER A 75 21.297 13.797 1.641 1.00 0.00 H new ATOM 0 HA SER A 75 19.723 14.874 3.640 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.025 16.177 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 75 21.461 16.664 3.694 1.00 0.00 H new ATOM 0 HG SER A 75 23.288 15.236 3.813 1.00 0.00 H new ATOM 1206 N GLN A 76 19.289 16.408 0.790 1.00 0.00 N ATOM 1207 CA GLN A 76 18.435 17.366 0.094 1.00 0.00 C ATOM 1208 C GLN A 76 17.281 16.639 -0.590 1.00 0.00 C ATOM 1209 O GLN A 76 16.121 16.800 -0.203 1.00 0.00 O ATOM 1210 CB GLN A 76 19.249 18.170 -0.933 1.00 0.00 C ATOM 1211 CG GLN A 76 20.404 18.958 -0.319 1.00 0.00 C ATOM 1212 CD GLN A 76 21.119 19.863 -1.314 1.00 0.00 C ATOM 1213 OE1 GLN A 76 21.157 19.465 -2.579 1.00 0.00 O flip ATOM 1214 NE2 GLN A 76 21.640 20.918 -0.942 1.00 0.00 N flip ATOM 0 H GLN A 76 19.879 15.847 0.176 1.00 0.00 H new ATOM 0 HA GLN A 76 18.026 18.063 0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.646 17.487 -1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.584 18.861 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 76 20.023 19.564 0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 76 21.124 18.259 0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 76 21.591 21.193 0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 76 22.119 21.515 -1.616 1.00 0.00 H new ATOM 1223 N ALA A 77 17.620 15.822 -1.591 1.00 0.00 N ATOM 1224 CA ALA A 77 16.635 15.050 -2.347 1.00 0.00 C ATOM 1225 C ALA A 77 15.674 15.960 -3.114 1.00 0.00 C ATOM 1226 O ALA A 77 15.729 17.186 -2.993 1.00 0.00 O ATOM 1227 CB ALA A 77 15.869 14.108 -1.418 1.00 0.00 C ATOM 0 H ALA A 77 18.582 15.679 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 77 17.173 14.452 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.140 13.541 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.567 13.421 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.353 14.690 -0.654 1.00 0.00 H new ATOM 1233 N LEU A 78 14.814 15.355 -3.928 1.00 0.00 N ATOM 1234 CA LEU A 78 13.779 16.098 -4.640 1.00 0.00 C ATOM 1235 C LEU A 78 12.573 16.270 -3.728 1.00 0.00 C ATOM 1236 O LEU A 78 11.906 17.307 -3.732 1.00 0.00 O ATOM 1237 CB LEU A 78 13.375 15.380 -5.940 1.00 0.00 C ATOM 1238 CG LEU A 78 14.422 15.407 -7.074 1.00 0.00 C ATOM 1239 CD1 LEU A 78 15.682 14.625 -6.697 1.00 0.00 C ATOM 1240 CD2 LEU A 78 13.818 14.868 -8.370 1.00 0.00 C ATOM 0 H LEU A 78 14.813 14.352 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 78 14.172 17.077 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.149 14.340 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.454 15.830 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 78 14.716 16.445 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.396 14.667 -7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.130 15.064 -5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.419 13.586 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.569 14.894 -9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.487 13.841 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.967 15.485 -8.659 1.00 0.00 H new ATOM 1252 N SER A 79 12.308 15.234 -2.941 1.00 0.00 N ATOM 1253 CA SER A 79 11.262 15.260 -1.930 1.00 0.00 C ATOM 1254 C SER A 79 11.635 14.297 -0.799 1.00 0.00 C ATOM 1255 O SER A 79 11.344 13.100 -0.868 1.00 0.00 O ATOM 1256 CB SER A 79 9.905 14.883 -2.545 1.00 0.00 C ATOM 1257 OG SER A 79 9.601 15.706 -3.662 1.00 0.00 O ATOM 0 H SER A 79 12.815 14.350 -2.988 1.00 0.00 H new ATOM 0 HA SER A 79 11.172 16.269 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.920 13.838 -2.854 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.122 14.982 -1.793 1.00 0.00 H new ATOM 0 HG SER A 79 8.695 16.067 -3.566 1.00 0.00 H new ATOM 1263 N PRO A 80 12.338 14.802 0.236 1.00 0.00 N ATOM 1264 CA PRO A 80 12.802 13.977 1.359 1.00 0.00 C ATOM 1265 C PRO A 80 11.644 13.338 2.132 1.00 0.00 C ATOM 1266 O PRO A 80 10.761 14.034 2.635 1.00 0.00 O ATOM 1267 CB PRO A 80 13.581 14.965 2.246 1.00 0.00 C ATOM 1268 CG PRO A 80 13.083 16.316 1.849 1.00 0.00 C ATOM 1269 CD PRO A 80 12.740 16.214 0.389 1.00 0.00 C ATOM 0 HA PRO A 80 13.407 13.136 1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.400 14.773 3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.655 14.877 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.210 16.599 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.843 17.078 2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.933 16.894 0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.593 16.461 -0.243 1.00 0.00 H new ATOM 1277 N VAL A 81 11.661 12.009 2.218 1.00 0.00 N ATOM 1278 CA VAL A 81 10.619 11.256 2.921 1.00 0.00 C ATOM 1279 C VAL A 81 10.815 11.285 4.443 1.00 0.00 C ATOM 1280 O VAL A 81 10.014 10.724 5.193 1.00 0.00 O ATOM 1281 CB VAL A 81 10.565 9.789 2.439 1.00 0.00 C ATOM 1282 CG1 VAL A 81 10.037 9.705 1.007 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.938 9.126 2.548 1.00 0.00 C ATOM 0 H VAL A 81 12.390 11.426 1.807 1.00 0.00 H new ATOM 0 HA VAL A 81 9.674 11.746 2.686 1.00 0.00 H new ATOM 0 HB VAL A 81 9.876 9.249 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.008 8.662 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.032 10.125 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.694 10.268 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.872 8.094 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.655 9.670 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.268 9.140 3.587 1.00 0.00 H new ATOM 1293 N ASN A 82 11.901 11.922 4.871 1.00 0.00 N ATOM 1294 CA ASN A 82 12.197 12.155 6.292 1.00 0.00 C ATOM 1295 C ASN A 82 12.605 10.863 7.007 1.00 0.00 C ATOM 1296 O ASN A 82 13.791 10.653 7.265 1.00 0.00 O ATOM 1297 CB ASN A 82 11.004 12.826 7.002 1.00 0.00 C ATOM 1298 CG ASN A 82 11.246 13.063 8.488 1.00 0.00 C ATOM 1299 OD1 ASN A 82 10.887 12.238 9.330 1.00 0.00 O ATOM 1300 ND2 ASN A 82 11.858 14.189 8.819 1.00 0.00 N ATOM 0 H ASN A 82 12.610 12.296 4.241 1.00 0.00 H new ATOM 0 HA ASN A 82 13.048 12.835 6.339 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.791 13.779 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.119 12.202 6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 82 12.047 14.398 9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.141 14.848 8.094 1.00 0.00 H new ATOM 1307 N ILE A 83 11.619 10.005 7.298 1.00 0.00 N ATOM 1308 CA ILE A 83 11.818 8.740 8.036 1.00 0.00 C ATOM 1309 C ILE A 83 12.845 8.878 9.180 1.00 0.00 C ATOM 1310 O ILE A 83 13.024 9.961 9.739 1.00 0.00 O ATOM 1311 CB ILE A 83 12.197 7.553 7.093 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.546 7.785 6.392 1.00 0.00 C ATOM 1313 CG2 ILE A 83 11.095 7.320 6.064 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.986 6.635 5.506 1.00 0.00 C ATOM 0 H ILE A 83 10.649 10.166 7.027 1.00 0.00 H new ATOM 0 HA ILE A 83 10.853 8.508 8.487 1.00 0.00 H new ATOM 0 HB ILE A 83 12.300 6.662 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.479 8.690 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.311 7.961 7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.373 6.490 5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.163 7.083 6.577 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.960 8.221 5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.945 6.875 5.048 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.087 5.731 6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 83 13.242 6.471 4.726 1.00 0.00 H new ATOM 1326 N ASP A 84 13.504 7.774 9.535 1.00 0.00 N ATOM 1327 CA ASP A 84 14.440 7.738 10.665 1.00 0.00 C ATOM 1328 C ASP A 84 15.858 8.134 10.239 1.00 0.00 C ATOM 1329 O ASP A 84 16.843 7.638 10.795 1.00 0.00 O ATOM 1330 CB ASP A 84 14.455 6.324 11.271 1.00 0.00 C ATOM 1331 CG ASP A 84 14.962 5.269 10.291 1.00 0.00 C ATOM 1332 OD1 ASP A 84 14.386 5.152 9.189 1.00 0.00 O ATOM 1333 OD2 ASP A 84 15.931 4.550 10.622 1.00 0.00 O ATOM 0 H ASP A 84 13.406 6.882 9.051 1.00 0.00 H new ATOM 0 HA ASP A 84 14.102 8.461 11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.085 6.321 12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.448 6.060 11.593 1.00 0.00 H new ATOM 1338 N ARG A 85 15.970 9.069 9.293 1.00 0.00 N ATOM 1339 CA ARG A 85 17.280 9.473 8.769 1.00 0.00 C ATOM 1340 C ARG A 85 18.153 10.131 9.841 1.00 0.00 C ATOM 1341 O ARG A 85 19.340 10.378 9.612 1.00 0.00 O ATOM 1342 CB ARG A 85 17.135 10.416 7.568 1.00 0.00 C ATOM 1343 CG ARG A 85 16.490 9.776 6.347 1.00 0.00 C ATOM 1344 CD ARG A 85 16.503 10.719 5.150 1.00 0.00 C ATOM 1345 NE ARG A 85 15.960 12.040 5.479 1.00 0.00 N ATOM 1346 CZ ARG A 85 16.172 13.136 4.748 1.00 0.00 C ATOM 1347 NH1 ARG A 85 16.902 13.064 3.639 1.00 0.00 N ATOM 1348 NH2 ARG A 85 15.660 14.302 5.132 1.00 0.00 N ATOM 0 H ARG A 85 15.178 9.558 8.876 1.00 0.00 H new ATOM 0 HA ARG A 85 17.776 8.559 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 85 16.541 11.280 7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.121 10.788 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 85 17.020 8.858 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.463 9.497 6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.525 10.828 4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.922 10.281 4.339 1.00 0.00 H new ATOM 0 HE ARG A 85 15.385 12.127 6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.300 12.171 3.347 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.064 13.902 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.105 14.359 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.823 15.139 4.573 1.00 0.00 H new ATOM 1362 N GLN A 86 17.569 10.418 11.005 1.00 0.00 N ATOM 1363 CA GLN A 86 18.325 10.962 12.137 1.00 0.00 C ATOM 1364 C GLN A 86 19.426 9.989 12.564 1.00 0.00 C ATOM 1365 O GLN A 86 20.416 10.379 13.188 1.00 0.00 O ATOM 1366 CB GLN A 86 17.388 11.250 13.316 1.00 0.00 C ATOM 1367 CG GLN A 86 16.298 12.268 12.998 1.00 0.00 C ATOM 1368 CD GLN A 86 15.395 12.556 14.183 1.00 0.00 C ATOM 1369 OE1 GLN A 86 15.170 11.698 15.035 1.00 0.00 O ATOM 1370 NE2 GLN A 86 14.873 13.769 14.242 1.00 0.00 N ATOM 0 H GLN A 86 16.575 10.283 11.190 1.00 0.00 H new ATOM 0 HA GLN A 86 18.790 11.896 11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 86 16.921 10.318 13.633 1.00 0.00 H new ATOM 0 HB3 GLN A 86 17.978 11.613 14.157 1.00 0.00 H new ATOM 0 HG2 GLN A 86 16.761 13.197 12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 86 15.694 11.899 12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 86 15.085 14.451 13.514 1.00 0.00 H new ATOM 0 HE22 GLN A 86 14.258 14.022 15.015 1.00 0.00 H new ATOM 1379 N ALA A 87 19.234 8.720 12.217 1.00 0.00 N ATOM 1380 CA ALA A 87 20.214 7.671 12.463 1.00 0.00 C ATOM 1381 C ALA A 87 20.158 6.670 11.316 1.00 0.00 C ATOM 1382 O ALA A 87 19.797 5.501 11.500 1.00 0.00 O ATOM 1383 CB ALA A 87 19.950 6.989 13.801 1.00 0.00 C ATOM 0 H ALA A 87 18.387 8.390 11.754 1.00 0.00 H new ATOM 0 HA ALA A 87 21.212 8.105 12.513 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.693 6.209 13.965 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.013 7.724 14.603 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.954 6.545 13.793 1.00 0.00 H new ATOM 1389 N TRP A 88 20.484 7.152 10.122 1.00 0.00 N ATOM 1390 CA TRP A 88 20.320 6.371 8.901 1.00 0.00 C ATOM 1391 C TRP A 88 21.585 5.571 8.574 1.00 0.00 C ATOM 1392 O TRP A 88 22.567 5.616 9.317 1.00 0.00 O ATOM 1393 CB TRP A 88 19.934 7.301 7.740 1.00 0.00 C ATOM 1394 CG TRP A 88 18.961 6.671 6.794 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.729 6.176 7.103 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.134 6.467 5.394 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.137 5.657 5.982 1.00 0.00 N ATOM 1398 CE2 TRP A 88 17.980 5.825 4.920 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.157 6.760 4.499 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 17.824 5.470 3.586 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.002 6.408 3.176 1.00 0.00 C ATOM 1402 CH2 TRP A 88 18.848 5.769 2.731 1.00 0.00 C ATOM 0 H TRP A 88 20.866 8.086 9.973 1.00 0.00 H new ATOM 0 HA TRP A 88 19.518 5.649 9.055 1.00 0.00 H new ATOM 0 HB2 TRP A 88 19.502 8.217 8.142 1.00 0.00 H new ATOM 0 HB3 TRP A 88 20.833 7.586 7.194 1.00 0.00 H new ATOM 0 HD1 TRP A 88 17.285 6.191 8.087 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.217 5.217 5.946 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.057 7.254 4.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 16.928 4.977 3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 20.790 6.632 2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 88 18.760 5.504 1.688 1.00 0.00 H new ATOM 1413 N LEU A 89 21.556 4.846 7.453 1.00 0.00 N ATOM 1414 CA LEU A 89 22.636 3.922 7.088 1.00 0.00 C ATOM 1415 C LEU A 89 22.999 4.059 5.605 1.00 0.00 C ATOM 1416 O LEU A 89 23.459 3.103 4.975 1.00 0.00 O ATOM 1417 CB LEU A 89 22.216 2.466 7.396 1.00 0.00 C ATOM 1418 CG LEU A 89 21.057 1.891 6.546 1.00 0.00 C ATOM 1419 CD1 LEU A 89 20.890 0.395 6.803 1.00 0.00 C ATOM 1420 CD2 LEU A 89 19.743 2.621 6.820 1.00 0.00 C ATOM 0 H LEU A 89 20.792 4.881 6.778 1.00 0.00 H new ATOM 0 HA LEU A 89 23.515 4.176 7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 89 23.087 1.824 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 89 21.931 2.407 8.447 1.00 0.00 H new ATOM 0 HG LEU A 89 21.315 2.043 5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 89 20.070 0.011 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 89 21.811 -0.125 6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 89 20.669 0.229 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.952 2.190 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 89 19.482 2.517 7.873 1.00 0.00 H new ATOM 0 HD23 LEU A 89 19.856 3.678 6.577 1.00 0.00 H new ATOM 1432 N GLY A 90 22.837 5.264 5.067 1.00 0.00 N ATOM 1433 CA GLY A 90 23.032 5.483 3.641 1.00 0.00 C ATOM 1434 C GLY A 90 24.430 5.160 3.174 1.00 0.00 C ATOM 1435 O GLY A 90 24.628 4.283 2.332 1.00 0.00 O ATOM 0 H GLY A 90 22.573 6.097 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.320 4.872 3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 90 22.809 6.524 3.406 1.00 0.00 H new ATOM 1439 N GLU A 91 25.406 5.838 3.750 1.00 0.00 N ATOM 1440 CA GLU A 91 26.798 5.682 3.340 1.00 0.00 C ATOM 1441 C GLU A 91 27.260 4.227 3.495 1.00 0.00 C ATOM 1442 O GLU A 91 28.296 3.832 2.951 1.00 0.00 O ATOM 1443 CB GLU A 91 27.712 6.623 4.141 1.00 0.00 C ATOM 1444 CG GLU A 91 27.452 8.114 3.901 1.00 0.00 C ATOM 1445 CD GLU A 91 26.109 8.584 4.443 1.00 0.00 C ATOM 1446 OE1 GLU A 91 25.971 8.688 5.681 1.00 0.00 O ATOM 1447 OE2 GLU A 91 25.182 8.841 3.643 1.00 0.00 O ATOM 0 H GLU A 91 25.264 6.506 4.507 1.00 0.00 H new ATOM 0 HA GLU A 91 26.866 5.950 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.589 6.412 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.750 6.403 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 91 28.248 8.695 4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 91 27.495 8.316 2.831 1.00 0.00 H new ATOM 1454 N GLU A 92 26.485 3.434 4.235 1.00 0.00 N ATOM 1455 CA GLU A 92 26.777 2.020 4.418 1.00 0.00 C ATOM 1456 C GLU A 92 26.188 1.206 3.268 1.00 0.00 C ATOM 1457 O GLU A 92 26.877 0.388 2.663 1.00 0.00 O ATOM 1458 CB GLU A 92 26.221 1.524 5.761 1.00 0.00 C ATOM 1459 CG GLU A 92 26.573 0.072 6.080 1.00 0.00 C ATOM 1460 CD GLU A 92 26.050 -0.377 7.437 1.00 0.00 C ATOM 1461 OE1 GLU A 92 26.517 0.157 8.464 1.00 0.00 O ATOM 1462 OE2 GLU A 92 25.169 -1.264 7.486 1.00 0.00 O ATOM 0 H GLU A 92 25.646 3.754 4.719 1.00 0.00 H new ATOM 0 HA GLU A 92 27.859 1.888 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 92 26.601 2.163 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.136 1.632 5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.162 -0.575 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 92 27.656 -0.048 6.055 1.00 0.00 H new ATOM 1469 N VAL A 93 24.914 1.458 2.950 1.00 0.00 N ATOM 1470 CA VAL A 93 24.205 0.676 1.936 1.00 0.00 C ATOM 1471 C VAL A 93 24.798 0.884 0.539 1.00 0.00 C ATOM 1472 O VAL A 93 24.776 -0.023 -0.291 1.00 0.00 O ATOM 1473 CB VAL A 93 22.682 0.988 1.909 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.411 2.435 1.500 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.943 0.019 0.984 1.00 0.00 C ATOM 0 H VAL A 93 24.355 2.195 3.380 1.00 0.00 H new ATOM 0 HA VAL A 93 24.335 -0.368 2.220 1.00 0.00 H new ATOM 0 HB VAL A 93 22.304 0.854 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.336 2.616 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.887 3.110 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.816 2.613 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.879 0.258 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 93 22.337 0.110 -0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.085 -1.002 1.338 1.00 0.00 H new ATOM 1485 N LEU A 94 25.335 2.078 0.282 1.00 0.00 N ATOM 1486 CA LEU A 94 25.969 2.366 -1.008 1.00 0.00 C ATOM 1487 C LEU A 94 27.209 1.494 -1.209 1.00 0.00 C ATOM 1488 O LEU A 94 27.582 1.175 -2.340 1.00 0.00 O ATOM 1489 CB LEU A 94 26.343 3.857 -1.131 1.00 0.00 C ATOM 1490 CG LEU A 94 25.206 4.803 -1.571 1.00 0.00 C ATOM 1491 CD1 LEU A 94 24.528 4.280 -2.833 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.183 5.007 -0.458 1.00 0.00 C ATOM 0 H LEU A 94 25.345 2.855 0.942 1.00 0.00 H new ATOM 0 HA LEU A 94 25.245 2.132 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 94 26.720 4.198 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 94 27.162 3.949 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 94 25.652 5.773 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 94 23.729 4.962 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 94 25.260 4.211 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 94 24.109 3.293 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.398 5.679 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 94 23.745 4.047 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.674 5.442 0.413 1.00 0.00 H new ATOM 1504 N ALA A 95 27.844 1.116 -0.106 1.00 0.00 N ATOM 1505 CA ALA A 95 29.033 0.267 -0.152 1.00 0.00 C ATOM 1506 C ALA A 95 28.658 -1.206 0.018 1.00 0.00 C ATOM 1507 O ALA A 95 29.292 -2.091 -0.555 1.00 0.00 O ATOM 1508 CB ALA A 95 30.023 0.693 0.925 1.00 0.00 C ATOM 0 H ALA A 95 27.556 1.384 0.835 1.00 0.00 H new ATOM 0 HA ALA A 95 29.503 0.385 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.905 0.054 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 95 30.317 1.729 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.556 0.601 1.906 1.00 0.00 H new ATOM 1514 N GLU A 96 27.616 -1.455 0.800 1.00 0.00 N ATOM 1515 CA GLU A 96 27.146 -2.809 1.085 1.00 0.00 C ATOM 1516 C GLU A 96 25.637 -2.905 0.851 1.00 0.00 C ATOM 1517 O GLU A 96 24.848 -2.823 1.795 1.00 0.00 O ATOM 1518 CB GLU A 96 27.486 -3.195 2.536 1.00 0.00 C ATOM 1519 CG GLU A 96 28.947 -3.580 2.758 1.00 0.00 C ATOM 1520 CD GLU A 96 29.273 -4.965 2.220 1.00 0.00 C ATOM 1521 OE1 GLU A 96 28.917 -5.961 2.893 1.00 0.00 O ATOM 1522 OE2 GLU A 96 29.887 -5.070 1.134 1.00 0.00 O ATOM 0 H GLU A 96 27.070 -0.724 1.257 1.00 0.00 H new ATOM 0 HA GLU A 96 27.649 -3.503 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.240 -2.358 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 96 26.853 -4.030 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.590 -2.845 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.170 -3.546 3.824 1.00 0.00 H new ATOM 1529 N PRO A 97 25.210 -3.039 -0.419 1.00 0.00 N ATOM 1530 CA PRO A 97 23.797 -3.140 -0.757 1.00 0.00 C ATOM 1531 C PRO A 97 23.270 -4.564 -0.619 1.00 0.00 C ATOM 1532 O PRO A 97 23.977 -5.537 -0.894 1.00 0.00 O ATOM 1533 CB PRO A 97 23.757 -2.693 -2.217 1.00 0.00 C ATOM 1534 CG PRO A 97 25.078 -3.119 -2.774 1.00 0.00 C ATOM 1535 CD PRO A 97 26.065 -3.087 -1.624 1.00 0.00 C ATOM 0 HA PRO A 97 23.171 -2.542 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.931 -3.160 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.621 -1.615 -2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 97 25.014 -4.120 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 97 25.394 -2.450 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.706 -3.969 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.719 -2.217 -1.684 1.00 0.00 H new ATOM 1543 N ARG A 98 22.022 -4.669 -0.196 1.00 0.00 N ATOM 1544 CA ARG A 98 21.354 -5.951 -0.042 1.00 0.00 C ATOM 1545 C ARG A 98 19.850 -5.713 -0.088 1.00 0.00 C ATOM 1546 O ARG A 98 19.389 -4.646 0.323 1.00 0.00 O ATOM 1547 CB ARG A 98 21.772 -6.619 1.284 1.00 0.00 C ATOM 1548 CG ARG A 98 21.262 -5.897 2.529 1.00 0.00 C ATOM 1549 CD ARG A 98 21.985 -6.340 3.801 1.00 0.00 C ATOM 1550 NE ARG A 98 21.772 -7.757 4.112 1.00 0.00 N ATOM 1551 CZ ARG A 98 20.936 -8.204 5.054 1.00 0.00 C ATOM 1552 NH1 ARG A 98 20.163 -7.353 5.719 1.00 0.00 N ATOM 1553 NH2 ARG A 98 20.860 -9.500 5.314 1.00 0.00 N ATOM 0 H ARG A 98 21.442 -3.867 0.051 1.00 0.00 H new ATOM 0 HA ARG A 98 21.640 -6.626 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.404 -7.645 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.860 -6.671 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.388 -4.822 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.193 -6.081 2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 98 23.053 -6.154 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.641 -5.733 4.639 1.00 0.00 H new ATOM 0 HE ARG A 98 22.296 -8.447 3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.206 -6.355 5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.526 -7.697 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.440 -10.159 4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.221 -9.839 6.033 1.00 0.00 H new ATOM 1567 N PRO A 99 19.063 -6.683 -0.589 1.00 0.00 N ATOM 1568 CA PRO A 99 17.606 -6.527 -0.713 1.00 0.00 C ATOM 1569 C PRO A 99 16.946 -6.337 0.655 1.00 0.00 C ATOM 1570 O PRO A 99 15.785 -5.937 0.754 1.00 0.00 O ATOM 1571 CB PRO A 99 17.157 -7.841 -1.379 1.00 0.00 C ATOM 1572 CG PRO A 99 18.245 -8.813 -1.076 1.00 0.00 C ATOM 1573 CD PRO A 99 19.516 -8.008 -1.058 1.00 0.00 C ATOM 0 HA PRO A 99 17.323 -5.646 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.201 -8.180 -0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.027 -7.715 -2.454 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.077 -9.302 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.290 -9.599 -1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.259 -8.441 -0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.972 -7.952 -2.046 1.00 0.00 H new ATOM 1581 N ASP A 100 17.715 -6.610 1.705 1.00 0.00 N ATOM 1582 CA ASP A 100 17.250 -6.460 3.081 1.00 0.00 C ATOM 1583 C ASP A 100 17.882 -5.213 3.704 1.00 0.00 C ATOM 1584 O ASP A 100 18.865 -5.298 4.445 1.00 0.00 O ATOM 1585 CB ASP A 100 17.611 -7.714 3.893 1.00 0.00 C ATOM 1586 CG ASP A 100 16.959 -7.756 5.271 1.00 0.00 C ATOM 1587 OD1 ASP A 100 17.388 -7.006 6.178 1.00 0.00 O ATOM 1588 OD2 ASP A 100 16.012 -8.549 5.452 1.00 0.00 O ATOM 0 H ASP A 100 18.677 -6.941 1.627 1.00 0.00 H new ATOM 0 HA ASP A 100 16.166 -6.343 3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.312 -8.599 3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.694 -7.762 4.011 1.00 0.00 H new ATOM 1593 N MET A 101 17.341 -4.048 3.355 1.00 0.00 N ATOM 1594 CA MET A 101 17.857 -2.773 3.858 1.00 0.00 C ATOM 1595 C MET A 101 16.725 -1.826 4.232 1.00 0.00 C ATOM 1596 O MET A 101 16.443 -1.617 5.409 1.00 0.00 O ATOM 1597 CB MET A 101 18.771 -2.099 2.817 1.00 0.00 C ATOM 1598 CG MET A 101 20.224 -2.544 2.883 1.00 0.00 C ATOM 1599 SD MET A 101 20.998 -2.132 4.460 1.00 0.00 S ATOM 1600 CE MET A 101 22.698 -2.610 4.156 1.00 0.00 C ATOM 0 H MET A 101 16.544 -3.959 2.725 1.00 0.00 H new ATOM 0 HA MET A 101 18.439 -2.992 4.753 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.383 -2.308 1.820 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.727 -1.019 2.956 1.00 0.00 H new ATOM 0 HG2 MET A 101 20.279 -3.621 2.725 1.00 0.00 H new ATOM 0 HG3 MET A 101 20.782 -2.074 2.073 1.00 0.00 H new ATOM 0 HE1 MET A 101 23.044 -3.256 4.963 1.00 0.00 H new ATOM 0 HE2 MET A 101 22.761 -3.146 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 101 23.324 -1.719 4.111 1.00 0.00 H new ATOM 1610 N PHE A 102 16.064 -1.273 3.221 1.00 0.00 N ATOM 1611 CA PHE A 102 15.069 -0.216 3.433 1.00 0.00 C ATOM 1612 C PHE A 102 13.681 -0.785 3.743 1.00 0.00 C ATOM 1613 O PHE A 102 12.708 -0.041 3.787 1.00 0.00 O ATOM 1614 CB PHE A 102 14.976 0.691 2.193 1.00 0.00 C ATOM 1615 CG PHE A 102 16.298 1.233 1.703 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.270 1.669 2.594 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.557 1.318 0.341 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.473 2.173 2.134 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.756 1.820 -0.122 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.715 2.249 0.775 1.00 0.00 C ATOM 0 H PHE A 102 16.196 -1.536 2.244 1.00 0.00 H new ATOM 0 HA PHE A 102 15.401 0.363 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.507 0.130 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.318 1.529 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.085 1.614 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.810 0.987 -0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.223 2.507 2.836 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.944 1.877 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.654 2.644 0.415 1.00 0.00 H new ATOM 1630 N ARG A 103 13.595 -2.095 3.981 1.00 0.00 N ATOM 1631 CA ARG A 103 12.297 -2.764 4.154 1.00 0.00 C ATOM 1632 C ARG A 103 11.460 -2.135 5.277 1.00 0.00 C ATOM 1633 O ARG A 103 10.289 -1.807 5.072 1.00 0.00 O ATOM 1634 CB ARG A 103 12.484 -4.267 4.409 1.00 0.00 C ATOM 1635 CG ARG A 103 13.470 -4.597 5.525 1.00 0.00 C ATOM 1636 CD ARG A 103 13.482 -6.086 5.843 1.00 0.00 C ATOM 1637 NE ARG A 103 14.585 -6.447 6.733 1.00 0.00 N ATOM 1638 CZ ARG A 103 14.451 -7.133 7.867 1.00 0.00 C ATOM 1639 NH1 ARG A 103 13.248 -7.466 8.319 1.00 0.00 N ATOM 1640 NH2 ARG A 103 15.533 -7.478 8.552 1.00 0.00 N ATOM 0 H ARG A 103 14.402 -2.714 4.059 1.00 0.00 H new ATOM 0 HA ARG A 103 11.748 -2.628 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.516 -4.705 4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.824 -4.740 3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.471 -4.279 5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.207 -4.035 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 103 12.536 -6.365 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.563 -6.654 4.916 1.00 0.00 H new ATOM 0 HE ARG A 103 15.524 -6.152 6.466 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.414 -7.196 7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.157 -7.991 9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 103 16.458 -7.218 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.440 -8.003 9.421 1.00 0.00 H new ATOM 1654 N ALA A 104 12.056 -1.954 6.456 1.00 0.00 N ATOM 1655 CA ALA A 104 11.331 -1.396 7.600 1.00 0.00 C ATOM 1656 C ALA A 104 10.950 0.060 7.344 1.00 0.00 C ATOM 1657 O ALA A 104 9.934 0.546 7.834 1.00 0.00 O ATOM 1658 CB ALA A 104 12.162 -1.518 8.875 1.00 0.00 C ATOM 0 H ALA A 104 13.032 -2.183 6.644 1.00 0.00 H new ATOM 0 HA ALA A 104 10.413 -1.969 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.606 -1.098 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.375 -2.569 9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.099 -0.974 8.752 1.00 0.00 H new ATOM 1664 N GLN A 105 11.768 0.742 6.550 1.00 0.00 N ATOM 1665 CA GLN A 105 11.552 2.152 6.227 1.00 0.00 C ATOM 1666 C GLN A 105 10.499 2.286 5.129 1.00 0.00 C ATOM 1667 O GLN A 105 9.769 3.280 5.060 1.00 0.00 O ATOM 1668 CB GLN A 105 12.884 2.782 5.815 1.00 0.00 C ATOM 1669 CG GLN A 105 13.927 2.700 6.927 1.00 0.00 C ATOM 1670 CD GLN A 105 15.326 3.079 6.482 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.703 2.882 5.329 1.00 0.00 O ATOM 1672 NE2 GLN A 105 16.106 3.632 7.398 1.00 0.00 N ATOM 0 H GLN A 105 12.596 0.338 6.113 1.00 0.00 H new ATOM 0 HA GLN A 105 11.177 2.682 7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.263 2.279 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.723 3.826 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 105 13.626 3.355 7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.944 1.684 7.322 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.756 3.779 8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 105 17.057 3.911 7.157 1.00 0.00 H new ATOM 1681 N GLN A 106 10.417 1.262 4.291 1.00 0.00 N ATOM 1682 CA GLN A 106 9.376 1.156 3.279 1.00 0.00 C ATOM 1683 C GLN A 106 8.038 0.939 3.971 1.00 0.00 C ATOM 1684 O GLN A 106 7.026 1.554 3.620 1.00 0.00 O ATOM 1685 CB GLN A 106 9.713 0.003 2.315 1.00 0.00 C ATOM 1686 CG GLN A 106 8.596 -0.403 1.349 1.00 0.00 C ATOM 1687 CD GLN A 106 7.802 -1.611 1.827 1.00 0.00 C ATOM 1688 OE1 GLN A 106 8.318 -2.459 2.555 1.00 0.00 O ATOM 1689 NE2 GLN A 106 6.559 -1.721 1.393 1.00 0.00 N ATOM 0 H GLN A 106 11.072 0.480 4.294 1.00 0.00 H new ATOM 0 HA GLN A 106 9.315 2.072 2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.588 0.287 1.731 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.993 -0.870 2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.918 0.439 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.030 -0.624 0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.163 -0.999 0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.995 -2.528 1.660 1.00 0.00 H new ATOM 1698 N LEU A 107 8.056 0.082 4.986 1.00 0.00 N ATOM 1699 CA LEU A 107 6.877 -0.165 5.802 1.00 0.00 C ATOM 1700 C LEU A 107 6.604 1.037 6.709 1.00 0.00 C ATOM 1701 O LEU A 107 5.469 1.271 7.114 1.00 0.00 O ATOM 1702 CB LEU A 107 7.061 -1.436 6.642 1.00 0.00 C ATOM 1703 CG LEU A 107 5.790 -1.938 7.352 1.00 0.00 C ATOM 1704 CD1 LEU A 107 4.748 -2.406 6.338 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.127 -3.051 8.344 1.00 0.00 C ATOM 0 H LEU A 107 8.878 -0.454 5.263 1.00 0.00 H new ATOM 0 HA LEU A 107 6.021 -0.310 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.435 -2.230 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.828 -1.249 7.393 1.00 0.00 H new ATOM 0 HG LEU A 107 5.363 -1.106 7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.860 -2.756 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.479 -1.577 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.160 -3.220 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.214 -3.390 8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.586 -3.885 7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.822 -2.672 9.094 1.00 0.00 H new ATOM 1717 N GLN A 108 7.653 1.800 7.022 1.00 0.00 N ATOM 1718 CA GLN A 108 7.518 3.014 7.829 1.00 0.00 C ATOM 1719 C GLN A 108 6.679 4.052 7.088 1.00 0.00 C ATOM 1720 O GLN A 108 5.744 4.623 7.650 1.00 0.00 O ATOM 1721 CB GLN A 108 8.899 3.597 8.183 1.00 0.00 C ATOM 1722 CG GLN A 108 8.836 4.850 9.056 1.00 0.00 C ATOM 1723 CD GLN A 108 8.152 4.606 10.392 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.210 3.507 10.945 1.00 0.00 O ATOM 1725 NE2 GLN A 108 7.495 5.628 10.920 1.00 0.00 N ATOM 0 H GLN A 108 8.608 1.598 6.728 1.00 0.00 H new ATOM 0 HA GLN A 108 7.012 2.750 8.758 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.483 2.835 8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.430 3.835 7.261 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.848 5.215 9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.303 5.635 8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.469 6.524 10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.015 5.519 11.814 1.00 0.00 H new ATOM 1734 N ILE A 109 7.016 4.286 5.819 1.00 0.00 N ATOM 1735 CA ILE A 109 6.243 5.196 4.972 1.00 0.00 C ATOM 1736 C ILE A 109 4.800 4.706 4.895 1.00 0.00 C ATOM 1737 O ILE A 109 3.851 5.489 4.980 1.00 0.00 O ATOM 1738 CB ILE A 109 6.867 5.311 3.543 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.200 6.777 3.209 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.961 4.719 2.459 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.157 7.427 4.186 1.00 0.00 C ATOM 0 H ILE A 109 7.818 3.859 5.355 1.00 0.00 H new ATOM 0 HA ILE A 109 6.264 6.192 5.414 1.00 0.00 H new ATOM 0 HB ILE A 109 7.787 4.727 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.631 6.823 2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.275 7.353 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.441 4.824 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.788 3.663 2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.008 5.248 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.342 8.458 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.721 7.415 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.098 6.877 4.194 1.00 0.00 H new ATOM 1753 N PHE A 110 4.668 3.394 4.749 1.00 0.00 N ATOM 1754 CA PHE A 110 3.369 2.728 4.743 1.00 0.00 C ATOM 1755 C PHE A 110 2.600 3.048 6.029 1.00 0.00 C ATOM 1756 O PHE A 110 1.445 3.473 5.985 1.00 0.00 O ATOM 1757 CB PHE A 110 3.570 1.209 4.597 1.00 0.00 C ATOM 1758 CG PHE A 110 2.289 0.415 4.493 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.620 -0.014 5.633 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.759 0.092 3.252 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.451 -0.743 5.534 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.592 -0.637 3.149 1.00 0.00 C ATOM 1763 CZ PHE A 110 -0.062 -1.054 4.291 1.00 0.00 C ATOM 0 H PHE A 110 5.458 2.760 4.631 1.00 0.00 H new ATOM 0 HA PHE A 110 2.784 3.091 3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.174 1.019 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.139 0.847 5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.019 0.225 6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.266 0.415 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.061 -1.069 6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.191 -0.881 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.976 -1.624 4.212 1.00 0.00 H new ATOM 1773 N ASN A 111 3.270 2.870 7.168 1.00 0.00 N ATOM 1774 CA ASN A 111 2.655 3.069 8.483 1.00 0.00 C ATOM 1775 C ASN A 111 2.441 4.552 8.774 1.00 0.00 C ATOM 1776 O ASN A 111 1.666 4.910 9.662 1.00 0.00 O ATOM 1777 CB ASN A 111 3.516 2.440 9.593 1.00 0.00 C ATOM 1778 CG ASN A 111 3.564 0.920 9.520 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.628 0.278 9.041 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.646 0.332 10.012 1.00 0.00 N ATOM 0 H ASN A 111 4.249 2.585 7.207 1.00 0.00 H new ATOM 0 HA ASN A 111 1.684 2.575 8.466 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.530 2.834 9.525 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.122 2.739 10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.723 -0.685 10.002 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.401 0.897 10.401 1.00 0.00 H new ATOM 1787 N LEU A 112 3.136 5.409 8.034 1.00 0.00 N ATOM 1788 CA LEU A 112 2.996 6.855 8.190 1.00 0.00 C ATOM 1789 C LEU A 112 1.688 7.329 7.556 1.00 0.00 C ATOM 1790 O LEU A 112 0.845 7.933 8.217 1.00 0.00 O ATOM 1791 CB LEU A 112 4.194 7.575 7.552 1.00 0.00 C ATOM 1792 CG LEU A 112 4.195 9.109 7.682 1.00 0.00 C ATOM 1793 CD1 LEU A 112 4.226 9.533 9.150 1.00 0.00 C ATOM 1794 CD2 LEU A 112 5.371 9.714 6.917 1.00 0.00 C ATOM 0 H LEU A 112 3.805 5.127 7.317 1.00 0.00 H new ATOM 0 HA LEU A 112 2.973 7.094 9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.109 7.190 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.228 7.318 6.493 1.00 0.00 H new ATOM 0 HG LEU A 112 3.272 9.487 7.243 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.226 10.621 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.347 9.139 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.127 9.141 9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 112 5.354 10.799 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.306 9.326 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.294 9.450 5.862 1.00 0.00 H new ATOM 1806 N MET A 113 1.518 7.025 6.273 1.00 0.00 N ATOM 1807 CA MET A 113 0.310 7.412 5.540 1.00 0.00 C ATOM 1808 C MET A 113 -0.860 6.491 5.890 1.00 0.00 C ATOM 1809 O MET A 113 -2.003 6.749 5.499 1.00 0.00 O ATOM 1810 CB MET A 113 0.574 7.406 4.025 1.00 0.00 C ATOM 1811 CG MET A 113 1.151 6.101 3.494 1.00 0.00 C ATOM 1812 SD MET A 113 1.452 6.152 1.717 1.00 0.00 S ATOM 1813 CE MET A 113 2.309 4.600 1.461 1.00 0.00 C ATOM 0 H MET A 113 2.201 6.511 5.716 1.00 0.00 H new ATOM 0 HA MET A 113 0.041 8.425 5.838 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.361 7.615 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.261 8.218 3.785 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.085 5.883 4.011 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.464 5.285 3.720 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.863 4.640 0.523 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.002 4.427 2.284 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.584 3.787 1.420 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.561 5.426 6.636 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.567 4.467 7.100 1.00 0.00 C ATOM 1825 C LYS A 114 -2.698 5.180 7.844 1.00 0.00 C ATOM 1826 O LYS A 114 -3.873 4.858 7.665 1.00 0.00 O ATOM 1827 CB LYS A 114 -0.902 3.440 8.034 1.00 0.00 C ATOM 1828 CG LYS A 114 -1.819 2.319 8.525 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.141 1.487 9.618 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.023 0.343 10.112 1.00 0.00 C ATOM 1831 NZ LYS A 114 -2.121 -0.762 9.122 1.00 0.00 N ATOM 0 H LYS A 114 0.388 5.203 6.937 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.991 3.961 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.055 2.993 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.502 3.966 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.745 2.746 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.089 1.674 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.206 1.081 9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.886 2.134 10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.621 -0.045 11.048 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.021 0.724 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.730 -1.515 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.530 -0.400 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.173 -1.145 8.934 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.337 6.161 8.667 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.310 6.868 9.501 1.00 0.00 C ATOM 1847 C PHE A 115 -3.562 8.286 8.987 1.00 0.00 C ATOM 1848 O PHE A 115 -4.095 9.127 9.711 1.00 0.00 O ATOM 1849 CB PHE A 115 -2.828 6.910 10.964 1.00 0.00 C ATOM 1850 CG PHE A 115 -1.493 7.597 11.164 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -1.420 8.971 11.366 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -0.314 6.867 11.156 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -0.201 9.596 11.552 1.00 0.00 C ATOM 1854 CE2 PHE A 115 0.907 7.490 11.343 1.00 0.00 C ATOM 1855 CZ PHE A 115 0.963 8.855 11.540 1.00 0.00 C ATOM 0 H PHE A 115 -1.376 6.486 8.776 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.252 6.322 9.451 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.579 7.420 11.567 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.757 5.889 11.340 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.327 9.557 11.378 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.349 5.799 11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.160 10.664 11.707 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.817 6.908 11.335 1.00 0.00 H new ATOM 0 HZ PHE A 115 1.916 9.342 11.684 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.211 8.539 7.727 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.332 9.884 7.157 1.00 0.00 C ATOM 1867 C ASP A 116 -3.890 9.824 5.740 1.00 0.00 C ATOM 1868 O ASP A 116 -5.097 9.954 5.539 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.975 10.611 7.167 1.00 0.00 C ATOM 1870 CG ASP A 116 -2.028 11.950 6.438 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -2.550 12.931 7.013 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.565 12.023 5.280 1.00 0.00 O ATOM 0 H ASP A 116 -2.843 7.838 7.084 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.028 10.448 7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.661 10.774 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.222 9.976 6.701 1.00 0.00 H new ATOM 1877 N SER A 117 -3.010 9.598 4.766 1.00 0.00 N ATOM 1878 CA SER A 117 -3.397 9.577 3.360 1.00 0.00 C ATOM 1879 C SER A 117 -4.465 8.511 3.116 1.00 0.00 C ATOM 1880 O SER A 117 -5.432 8.739 2.389 1.00 0.00 O ATOM 1881 CB SER A 117 -2.160 9.315 2.499 1.00 0.00 C ATOM 1882 OG SER A 117 -1.080 10.142 2.907 1.00 0.00 O ATOM 0 H SER A 117 -2.018 9.426 4.929 1.00 0.00 H new ATOM 0 HA SER A 117 -3.821 10.543 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.872 8.267 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.393 9.504 1.451 1.00 0.00 H new ATOM 0 HG SER A 117 -0.298 9.959 2.346 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.288 7.358 3.752 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.262 6.270 3.685 1.00 0.00 C ATOM 1890 C TYR A 118 -6.601 6.716 4.270 1.00 0.00 C ATOM 1891 O TYR A 118 -7.650 6.593 3.627 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.718 5.048 4.443 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.738 3.948 4.696 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.225 3.159 3.659 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.197 3.689 5.985 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.138 2.146 3.900 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.110 2.683 6.232 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.576 1.915 5.188 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.476 0.904 5.434 1.00 0.00 O ATOM 0 H TYR A 118 -3.471 7.150 4.326 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.425 5.997 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.885 4.629 3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.318 5.381 5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.886 3.339 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.832 4.286 6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.505 1.540 3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.457 2.499 7.238 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.681 0.874 6.392 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.548 7.262 5.484 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.750 7.698 6.191 1.00 0.00 C ATOM 1911 C ALA A 119 -8.436 8.852 5.458 1.00 0.00 C ATOM 1912 O ALA A 119 -9.638 9.068 5.606 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.404 8.106 7.619 1.00 0.00 C ATOM 0 H ALA A 119 -5.681 7.413 6.000 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.446 6.860 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.309 8.429 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -6.970 7.256 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.686 8.926 7.599 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.663 9.588 4.669 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.178 10.733 3.924 1.00 0.00 C ATOM 1921 C ARG A 120 -8.802 10.286 2.600 1.00 0.00 C ATOM 1922 O ARG A 120 -9.890 10.740 2.232 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.043 11.745 3.693 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.445 12.985 2.895 1.00 0.00 C ATOM 1925 CD ARG A 120 -6.474 14.146 3.122 1.00 0.00 C ATOM 1926 NE ARG A 120 -5.083 13.809 2.789 1.00 0.00 N ATOM 1927 CZ ARG A 120 -4.128 13.557 3.690 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -4.411 13.541 4.989 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -2.889 13.323 3.290 1.00 0.00 N ATOM 0 H ARG A 120 -6.669 9.411 4.527 1.00 0.00 H new ATOM 0 HA ARG A 120 -8.964 11.215 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.655 12.063 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.228 11.243 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.477 12.740 1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.451 13.291 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.789 14.998 2.520 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -6.526 14.457 4.166 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.829 13.764 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.364 13.722 5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -3.676 13.348 5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -2.663 13.335 2.295 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.159 13.131 3.976 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.124 9.374 1.905 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.580 8.891 0.600 1.00 0.00 C ATOM 1945 C PHE A 121 -9.981 8.291 0.687 1.00 0.00 C ATOM 1946 O PHE A 121 -10.859 8.634 -0.103 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.604 7.848 0.033 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.096 7.184 -1.234 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.180 7.896 -2.421 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.488 5.850 -1.231 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.639 7.294 -3.577 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.948 5.245 -2.384 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.023 5.967 -3.558 1.00 0.00 C ATOM 0 H PHE A 121 -7.252 8.952 2.225 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.613 9.750 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.647 8.329 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.424 7.083 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.883 8.934 -2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.432 5.280 -0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.698 7.860 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.249 4.208 -2.367 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.382 5.495 -4.461 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.188 7.411 1.663 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.470 6.716 1.813 1.00 0.00 C ATOM 1965 C VAL A 122 -12.605 7.686 2.177 1.00 0.00 C ATOM 1966 O VAL A 122 -13.779 7.311 2.166 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.383 5.595 2.882 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.353 4.542 2.475 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.057 6.179 4.259 1.00 0.00 C ATOM 0 H VAL A 122 -9.488 7.160 2.362 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.695 6.267 0.846 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.356 5.109 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.307 3.764 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.643 4.099 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.374 5.010 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -11.001 5.374 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.099 6.698 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.838 6.881 4.550 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.245 8.929 2.502 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.227 9.966 2.839 1.00 0.00 C ATOM 1981 C LYS A 123 -13.378 10.949 1.683 1.00 0.00 C ATOM 1982 O LYS A 123 -14.314 11.752 1.653 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.803 10.731 4.101 1.00 0.00 C ATOM 1984 CG LYS A 123 -12.707 9.867 5.355 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.324 10.697 6.581 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.136 9.828 7.818 1.00 0.00 C ATOM 1987 NZ LYS A 123 -11.785 10.636 9.017 1.00 0.00 N ATOM 0 H LYS A 123 -11.276 9.245 2.540 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.182 9.474 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -11.835 11.198 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.516 11.535 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.663 9.374 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -11.967 9.081 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.403 11.243 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.098 11.440 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -13.052 9.270 8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.350 9.096 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.666 10.007 9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -10.897 11.149 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -12.546 11.318 9.211 1.00 0.00 H new ATOM 2001 N SER A 124 -12.436 10.890 0.747 1.00 0.00 N ATOM 2002 CA SER A 124 -12.438 11.772 -0.415 1.00 0.00 C ATOM 2003 C SER A 124 -13.400 11.251 -1.489 1.00 0.00 C ATOM 2004 O SER A 124 -13.792 10.080 -1.465 1.00 0.00 O ATOM 2005 CB SER A 124 -11.012 11.880 -0.978 1.00 0.00 C ATOM 2006 OG SER A 124 -10.110 12.369 0.003 1.00 0.00 O ATOM 0 H SER A 124 -11.655 10.234 0.772 1.00 0.00 H new ATOM 0 HA SER A 124 -12.779 12.761 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.680 10.902 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.009 12.544 -1.843 1.00 0.00 H new ATOM 0 HG SER A 124 -10.070 11.740 0.753 1.00 0.00 H new ATOM 2012 N PRO A 125 -13.818 12.125 -2.433 1.00 0.00 N ATOM 2013 CA PRO A 125 -14.648 11.719 -3.578 1.00 0.00 C ATOM 2014 C PRO A 125 -13.963 10.652 -4.437 1.00 0.00 C ATOM 2015 O PRO A 125 -12.894 10.149 -4.083 1.00 0.00 O ATOM 2016 CB PRO A 125 -14.831 13.022 -4.375 1.00 0.00 C ATOM 2017 CG PRO A 125 -14.584 14.111 -3.388 1.00 0.00 C ATOM 2018 CD PRO A 125 -13.542 13.574 -2.448 1.00 0.00 C ATOM 0 HA PRO A 125 -15.589 11.270 -3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -14.131 13.077 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.834 13.090 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.236 15.017 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.498 14.371 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.533 13.788 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.632 14.012 -1.454 1.00 0.00 H new ATOM 2026 N LEU A 126 -14.592 10.319 -5.563 1.00 0.00 N ATOM 2027 CA LEU A 126 -14.095 9.300 -6.492 1.00 0.00 C ATOM 2028 C LEU A 126 -14.330 7.896 -5.918 1.00 0.00 C ATOM 2029 O LEU A 126 -14.872 7.025 -6.605 1.00 0.00 O ATOM 2030 CB LEU A 126 -12.607 9.535 -6.834 1.00 0.00 C ATOM 2031 CG LEU A 126 -12.117 8.966 -8.180 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -10.717 9.484 -8.498 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -12.129 7.438 -8.184 1.00 0.00 C ATOM 0 H LEU A 126 -15.467 10.751 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.654 9.380 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -12.420 10.609 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.001 9.102 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.807 9.306 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.385 9.073 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.737 10.572 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.028 9.177 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -11.777 7.074 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.474 7.067 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.144 7.082 -8.010 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.937 7.681 -4.660 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.200 6.416 -3.974 1.00 0.00 C ATOM 2047 C TYR A 127 -15.691 6.075 -4.050 1.00 0.00 C ATOM 2048 O TYR A 127 -16.077 4.989 -4.488 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.743 6.508 -2.507 1.00 0.00 C ATOM 2050 CG TYR A 127 -14.026 5.259 -1.682 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.193 4.145 -1.760 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -15.121 5.196 -0.824 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.445 3.010 -1.009 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -15.378 4.064 -0.072 1.00 0.00 C ATOM 2055 CZ TYR A 127 -14.538 2.976 -0.167 1.00 0.00 C ATOM 2056 OH TYR A 127 -14.794 1.847 0.580 1.00 0.00 O ATOM 0 H TYR A 127 -13.435 8.368 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.638 5.622 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.672 6.709 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.237 7.359 -2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.336 4.167 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -15.782 6.047 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.789 2.155 -1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -16.233 4.033 0.587 1.00 0.00 H new ATOM 0 HH TYR A 127 -15.599 1.988 1.120 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.522 7.033 -3.651 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.973 6.861 -3.664 1.00 0.00 C ATOM 2068 C ARG A 128 -18.480 6.674 -5.093 1.00 0.00 C ATOM 2069 O ARG A 128 -19.430 5.927 -5.328 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.650 8.069 -3.000 1.00 0.00 C ATOM 2071 CG ARG A 128 -18.214 8.271 -1.552 1.00 0.00 C ATOM 2072 CD ARG A 128 -18.805 9.533 -0.934 1.00 0.00 C ATOM 2073 NE ARG A 128 -18.345 9.707 0.446 1.00 0.00 N ATOM 2074 CZ ARG A 128 -18.111 10.885 1.026 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -18.337 12.018 0.374 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -17.655 10.924 2.270 1.00 0.00 N ATOM 0 H ARG A 128 -16.213 7.944 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.226 5.965 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.420 8.968 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.731 7.937 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -18.515 7.406 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.126 8.324 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.520 10.401 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -19.893 9.477 -0.954 1.00 0.00 H new ATOM 0 HE ARG A 128 -18.193 8.867 1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -18.694 11.994 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -18.154 12.913 0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -17.485 10.056 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -17.474 11.822 2.719 1.00 0.00 H new ATOM 2090 N GLU A 129 -17.827 7.344 -6.041 1.00 0.00 N ATOM 2091 CA GLU A 129 -18.167 7.218 -7.458 1.00 0.00 C ATOM 2092 C GLU A 129 -17.963 5.778 -7.934 1.00 0.00 C ATOM 2093 O GLU A 129 -18.767 5.245 -8.701 1.00 0.00 O ATOM 2094 CB GLU A 129 -17.309 8.181 -8.292 1.00 0.00 C ATOM 2095 CG GLU A 129 -17.592 8.131 -9.790 1.00 0.00 C ATOM 2096 CD GLU A 129 -16.733 9.108 -10.578 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -17.042 10.319 -10.566 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -15.747 8.674 -11.214 1.00 0.00 O ATOM 0 H GLU A 129 -17.055 7.983 -5.852 1.00 0.00 H new ATOM 0 HA GLU A 129 -19.218 7.477 -7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.474 9.198 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.257 7.951 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -17.415 7.120 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.644 8.354 -9.965 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.892 5.151 -7.454 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.583 3.770 -7.813 1.00 0.00 C ATOM 2107 C CYS A 130 -17.598 2.813 -7.186 1.00 0.00 C ATOM 2108 O CYS A 130 -17.850 1.726 -7.708 1.00 0.00 O ATOM 2109 CB CYS A 130 -15.163 3.405 -7.365 1.00 0.00 C ATOM 2110 SG CYS A 130 -14.635 1.755 -7.879 1.00 0.00 S ATOM 0 H CYS A 130 -16.222 5.579 -6.814 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.641 3.676 -8.897 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -14.466 4.140 -7.766 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -15.107 3.472 -6.279 1.00 0.00 H new ATOM 0 HG CYS A 130 -15.677 0.991 -8.021 1.00 0.00 H new ATOM 2116 N LEU A 131 -18.169 3.227 -6.055 1.00 0.00 N ATOM 2117 CA LEU A 131 -19.211 2.450 -5.375 1.00 0.00 C ATOM 2118 C LEU A 131 -20.607 2.859 -5.859 1.00 0.00 C ATOM 2119 O LEU A 131 -21.608 2.228 -5.508 1.00 0.00 O ATOM 2120 CB LEU A 131 -19.112 2.636 -3.848 1.00 0.00 C ATOM 2121 CG LEU A 131 -18.052 1.776 -3.128 1.00 0.00 C ATOM 2122 CD1 LEU A 131 -16.641 2.128 -3.591 1.00 0.00 C ATOM 2123 CD2 LEU A 131 -18.175 1.930 -1.612 1.00 0.00 C ATOM 0 H LEU A 131 -17.927 4.100 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 131 -19.055 1.399 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -18.900 3.685 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -20.086 2.417 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 131 -18.236 0.734 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -15.919 1.504 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -16.556 1.954 -4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -16.439 3.177 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -17.420 1.316 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -18.027 2.975 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -19.167 1.609 -1.293 1.00 0.00 H new ATOM 2135 N LEU A 132 -20.666 3.915 -6.664 1.00 0.00 N ATOM 2136 CA LEU A 132 -21.934 4.463 -7.138 1.00 0.00 C ATOM 2137 C LEU A 132 -22.512 3.587 -8.252 1.00 0.00 C ATOM 2138 O LEU A 132 -22.031 3.602 -9.384 1.00 0.00 O ATOM 2139 CB LEU A 132 -21.730 5.920 -7.614 1.00 0.00 C ATOM 2140 CG LEU A 132 -23.005 6.751 -7.887 1.00 0.00 C ATOM 2141 CD1 LEU A 132 -23.635 6.398 -9.234 1.00 0.00 C ATOM 2142 CD2 LEU A 132 -24.019 6.576 -6.757 1.00 0.00 C ATOM 0 H LEU A 132 -19.843 4.413 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 132 -22.652 4.469 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -21.139 6.443 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -21.137 5.898 -8.528 1.00 0.00 H new ATOM 0 HG LEU A 132 -22.707 7.799 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -24.528 7.004 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -22.920 6.596 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -23.906 5.342 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -24.908 7.170 -6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -24.296 5.525 -6.676 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -23.578 6.908 -5.817 1.00 0.00 H new ATOM 2154 N ALA A 133 -23.536 2.811 -7.908 1.00 0.00 N ATOM 2155 CA ALA A 133 -24.250 1.977 -8.874 1.00 0.00 C ATOM 2156 C ALA A 133 -25.718 1.855 -8.470 1.00 0.00 C ATOM 2157 O ALA A 133 -26.426 0.945 -8.902 1.00 0.00 O ATOM 2158 CB ALA A 133 -23.597 0.598 -8.966 1.00 0.00 C ATOM 0 H ALA A 133 -23.894 2.742 -6.956 1.00 0.00 H new ATOM 0 HA ALA A 133 -24.198 2.445 -9.857 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -24.138 -0.013 -9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -22.561 0.707 -9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -23.626 0.116 -7.989 1.00 0.00 H new ATOM 2164 N GLU A 134 -26.172 2.799 -7.652 1.00 0.00 N ATOM 2165 CA GLU A 134 -27.523 2.758 -7.091 1.00 0.00 C ATOM 2166 C GLU A 134 -28.338 3.987 -7.502 1.00 0.00 C ATOM 2167 O GLU A 134 -29.569 3.957 -7.478 1.00 0.00 O ATOM 2168 CB GLU A 134 -27.443 2.674 -5.563 1.00 0.00 C ATOM 2169 CG GLU A 134 -26.651 3.817 -4.934 1.00 0.00 C ATOM 2170 CD GLU A 134 -26.585 3.728 -3.420 1.00 0.00 C ATOM 2171 OE1 GLU A 134 -27.486 4.273 -2.748 1.00 0.00 O ATOM 2172 OE2 GLU A 134 -25.632 3.113 -2.894 1.00 0.00 O ATOM 0 H GLU A 134 -25.623 3.607 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 134 -28.027 1.875 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -28.453 2.673 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -26.984 1.726 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -25.638 3.815 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -27.106 4.766 -5.217 1.00 0.00 H new ATOM 2179 N ALA A 135 -27.645 5.056 -7.892 1.00 0.00 N ATOM 2180 CA ALA A 135 -28.294 6.331 -8.192 1.00 0.00 C ATOM 2181 C ALA A 135 -29.216 6.209 -9.402 1.00 0.00 C ATOM 2182 O ALA A 135 -30.424 6.441 -9.304 1.00 0.00 O ATOM 2183 CB ALA A 135 -27.251 7.420 -8.424 1.00 0.00 C ATOM 0 H ALA A 135 -26.632 5.064 -8.008 1.00 0.00 H new ATOM 0 HA ALA A 135 -28.903 6.608 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -27.752 8.362 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -26.641 7.536 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -26.614 7.141 -9.264 1.00 0.00 H new ATOM 2189 N GLU A 136 -28.638 5.838 -10.538 1.00 0.00 N ATOM 2190 CA GLU A 136 -29.390 5.706 -11.782 1.00 0.00 C ATOM 2191 C GLU A 136 -30.144 4.377 -11.816 1.00 0.00 C ATOM 2192 O GLU A 136 -31.344 4.340 -12.103 1.00 0.00 O ATOM 2193 CB GLU A 136 -28.445 5.816 -12.989 1.00 0.00 C ATOM 2194 CG GLU A 136 -27.644 7.115 -13.017 1.00 0.00 C ATOM 2195 CD GLU A 136 -26.771 7.243 -14.255 1.00 0.00 C ATOM 2196 OE1 GLU A 136 -25.676 6.642 -14.280 1.00 0.00 O ATOM 2197 OE2 GLU A 136 -27.178 7.944 -15.211 1.00 0.00 O ATOM 0 H GLU A 136 -27.645 5.622 -10.624 1.00 0.00 H new ATOM 0 HA GLU A 136 -30.118 6.515 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -27.755 4.973 -12.978 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -29.029 5.738 -13.906 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -28.330 7.961 -12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -27.016 7.168 -12.128 1.00 0.00 H new TER 2204 GLU A 136