USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1035 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 115:sc= 0.772 USER MOD Set 1.2: A 134 THR OG1 : rot 58:sc= -0.0767 USER MOD Set 2.1: A 106 MET CE :methyl -125:sc= -1.24 (180deg=-5!) USER MOD Set 2.2: A 114 ASN : amide:sc= -0.229 K(o=-1.5,f=-7.3!) USER MOD Set 3.1: A 52 GLN : amide:sc= -2.66! K(o=-6.2!,f=-5.4) USER MOD Set 3.2: A 56 THR OG1 : rot -85:sc= -1 USER MOD Set 3.3: A 107 MET CE :methyl -125:sc= -2.56 (180deg=-4.57!) USER MOD Single : A 1 SER N :NH3+ -134:sc= 0.405 (180deg=0.00632) USER MOD Single : A 1 SER OG : rot 180:sc= 0.16 USER MOD Single : A 6 ASN : amide:sc= -0.0388 X(o=-0.039,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 103:sc= 0.732 USER MOD Single : A 21 TYR OH : rot -63:sc= 0.0136 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 27:sc= -2.72! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.038 K(o=-0.038,f=-0.72) USER MOD Single : A 45 SER OG : rot -106:sc= 1.37 USER MOD Single : A 47 HIS : no HD1:sc= -1.96 X(o=-2,f=-2.2) USER MOD Single : A 48 SER OG : rot -170:sc= -0.262 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -2.69! C(o=-2.7!,f=-4.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0292 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -100:sc= -0.136 USER MOD Single : A 70 ASN : amide:sc= -1.68 K(o=-1.7,f=-10!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.159 K(o=0.16,f=-1.1) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -143:sc= -0.435 USER MOD Single : A 89 ASN : amide:sc= -3.04! C(o=-3!,f=-2.7!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 100:sc= -0.122 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.717 -23.764 -7.204 1.00 0.00 N ATOM 2 CA SER A 1 1.159 -22.392 -7.329 1.00 0.00 C ATOM 3 C SER A 1 0.006 -22.176 -6.353 1.00 0.00 C ATOM 4 O SER A 1 -0.410 -23.101 -5.655 1.00 0.00 O ATOM 5 CB SER A 1 0.677 -22.191 -8.766 1.00 0.00 C ATOM 6 OG SER A 1 0.226 -23.411 -9.330 1.00 0.00 O ATOM 0 H1 SER A 1 2.755 -23.715 -7.177 1.00 0.00 H new ATOM 0 H2 SER A 1 1.368 -24.202 -6.328 1.00 0.00 H new ATOM 0 H3 SER A 1 1.419 -24.336 -8.020 1.00 0.00 H new ATOM 0 HA SER A 1 1.936 -21.666 -7.088 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.130 -21.459 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.488 -21.785 -9.371 1.00 0.00 H new ATOM 0 HG SER A 1 -0.078 -23.254 -10.248 1.00 0.00 H new ATOM 14 N GLY A 2 -0.503 -20.949 -6.310 1.00 0.00 N ATOM 15 CA GLY A 2 -1.602 -20.632 -5.417 1.00 0.00 C ATOM 16 C GLY A 2 -1.873 -19.143 -5.336 1.00 0.00 C ATOM 17 O GLY A 2 -0.959 -18.351 -5.107 1.00 0.00 O ATOM 0 H GLY A 2 -0.174 -20.168 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.502 -21.144 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.377 -21.012 -4.420 1.00 0.00 H new ATOM 21 N PHE A 3 -3.132 -18.762 -5.525 1.00 0.00 N ATOM 22 CA PHE A 3 -3.523 -17.358 -5.473 1.00 0.00 C ATOM 23 C PHE A 3 -3.404 -16.812 -4.053 1.00 0.00 C ATOM 24 O PHE A 3 -3.285 -17.574 -3.093 1.00 0.00 O ATOM 25 CB PHE A 3 -4.956 -17.186 -5.978 1.00 0.00 C ATOM 26 CG PHE A 3 -5.096 -17.368 -7.463 1.00 0.00 C ATOM 27 CD1 PHE A 3 -5.233 -18.634 -8.009 1.00 0.00 C ATOM 28 CD2 PHE A 3 -5.090 -16.273 -8.311 1.00 0.00 C ATOM 29 CE1 PHE A 3 -5.362 -18.805 -9.374 1.00 0.00 C ATOM 30 CE2 PHE A 3 -5.218 -16.437 -9.677 1.00 0.00 C ATOM 31 CZ PHE A 3 -5.354 -17.705 -10.210 1.00 0.00 C ATOM 0 H PHE A 3 -3.899 -19.406 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 3 -2.848 -16.796 -6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -5.600 -17.904 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -5.311 -16.192 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.239 -19.497 -7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -4.984 -15.280 -7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -5.469 -19.797 -9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -5.212 -15.575 -10.328 1.00 0.00 H new ATOM 0 HZ PHE A 3 -5.454 -17.836 -11.277 1.00 0.00 H new ATOM 41 N VAL A 4 -3.435 -15.489 -3.928 1.00 0.00 N ATOM 42 CA VAL A 4 -3.332 -14.841 -2.626 1.00 0.00 C ATOM 43 C VAL A 4 -4.555 -15.138 -1.765 1.00 0.00 C ATOM 44 O VAL A 4 -5.586 -15.586 -2.269 1.00 0.00 O ATOM 45 CB VAL A 4 -3.175 -13.315 -2.768 1.00 0.00 C ATOM 46 CG1 VAL A 4 -1.822 -12.971 -3.370 1.00 0.00 C ATOM 47 CG2 VAL A 4 -4.304 -12.738 -3.609 1.00 0.00 C ATOM 0 H VAL A 4 -3.531 -14.845 -4.713 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.444 -15.246 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.228 -12.869 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.729 -11.889 -3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.030 -13.349 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.736 -13.428 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.176 -11.659 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.286 -13.189 -4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.260 -12.952 -3.131 1.00 0.00 H new ATOM 57 N CYS A 5 -4.434 -14.884 -0.466 1.00 0.00 N ATOM 58 CA CYS A 5 -5.531 -15.126 0.464 1.00 0.00 C ATOM 59 C CYS A 5 -6.271 -13.829 0.780 1.00 0.00 C ATOM 60 O CYS A 5 -7.098 -13.784 1.693 1.00 0.00 O ATOM 61 CB CYS A 5 -5.005 -15.755 1.756 1.00 0.00 C ATOM 62 SG CYS A 5 -3.408 -15.080 2.317 1.00 0.00 S ATOM 0 H CYS A 5 -3.589 -14.511 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.229 -15.817 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.744 -15.612 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.901 -16.830 1.608 1.00 0.00 H new ATOM 67 N ASN A 6 -5.960 -12.778 0.023 1.00 0.00 N ATOM 68 CA ASN A 6 -6.581 -11.471 0.213 1.00 0.00 C ATOM 69 C ASN A 6 -6.099 -10.841 1.509 1.00 0.00 C ATOM 70 O ASN A 6 -6.832 -10.777 2.497 1.00 0.00 O ATOM 71 CB ASN A 6 -8.109 -11.588 0.215 1.00 0.00 C ATOM 72 CG ASN A 6 -8.668 -11.877 -1.164 1.00 0.00 C ATOM 73 OD1 ASN A 6 -9.285 -12.918 -1.390 1.00 0.00 O ATOM 74 ND2 ASN A 6 -8.455 -10.954 -2.095 1.00 0.00 N ATOM 0 H ASN A 6 -5.276 -12.809 -0.733 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.289 -10.831 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.409 -12.382 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.541 -10.661 0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -8.808 -11.093 -3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.938 -10.106 -1.863 1.00 0.00 H new ATOM 81 N THR A 7 -4.850 -10.385 1.499 1.00 0.00 N ATOM 82 CA THR A 7 -4.252 -9.767 2.672 1.00 0.00 C ATOM 83 C THR A 7 -5.096 -8.596 3.165 1.00 0.00 C ATOM 84 O THR A 7 -5.153 -8.318 4.363 1.00 0.00 O ATOM 85 CB THR A 7 -2.834 -9.290 2.357 1.00 0.00 C ATOM 86 OG1 THR A 7 -2.199 -8.799 3.524 1.00 0.00 O ATOM 87 CG2 THR A 7 -2.786 -8.194 1.314 1.00 0.00 C ATOM 0 H THR A 7 -4.233 -10.433 0.688 1.00 0.00 H new ATOM 0 HA THR A 7 -4.210 -10.517 3.462 1.00 0.00 H new ATOM 0 HB THR A 7 -2.318 -10.166 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.435 -9.372 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.750 -7.903 1.139 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.223 -8.557 0.384 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.350 -7.331 1.667 1.00 0.00 H new ATOM 95 N CYS A 8 -5.747 -7.913 2.229 1.00 0.00 N ATOM 96 CA CYS A 8 -6.588 -6.766 2.554 1.00 0.00 C ATOM 97 C CYS A 8 -7.900 -7.212 3.203 1.00 0.00 C ATOM 98 O CYS A 8 -8.763 -7.790 2.541 1.00 0.00 O ATOM 99 CB CYS A 8 -6.871 -5.956 1.285 1.00 0.00 C ATOM 100 SG CYS A 8 -5.648 -6.214 -0.042 1.00 0.00 S ATOM 0 H CYS A 8 -5.708 -8.135 1.234 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.056 -6.139 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.860 -6.219 0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.898 -4.897 1.540 1.00 0.00 H new ATOM 105 N PRO A 9 -8.063 -6.961 4.517 1.00 0.00 N ATOM 106 CA PRO A 9 -9.253 -7.343 5.261 1.00 0.00 C ATOM 107 C PRO A 9 -10.302 -6.234 5.330 1.00 0.00 C ATOM 108 O PRO A 9 -11.311 -6.279 4.626 1.00 0.00 O ATOM 109 CB PRO A 9 -8.687 -7.637 6.650 1.00 0.00 C ATOM 110 CG PRO A 9 -7.463 -6.777 6.779 1.00 0.00 C ATOM 111 CD PRO A 9 -7.090 -6.295 5.393 1.00 0.00 C ATOM 0 HA PRO A 9 -9.779 -8.177 4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.414 -7.402 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.437 -8.693 6.756 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.658 -5.931 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.643 -7.343 7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.158 -5.210 5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.067 -6.569 5.136 1.00 0.00 H new ATOM 119 N GLU A 10 -10.063 -5.246 6.188 1.00 0.00 N ATOM 120 CA GLU A 10 -10.991 -4.135 6.356 1.00 0.00 C ATOM 121 C GLU A 10 -10.547 -2.923 5.544 1.00 0.00 C ATOM 122 O GLU A 10 -10.905 -2.788 4.374 1.00 0.00 O ATOM 123 CB GLU A 10 -11.111 -3.766 7.837 1.00 0.00 C ATOM 124 CG GLU A 10 -9.840 -4.015 8.635 1.00 0.00 C ATOM 125 CD GLU A 10 -9.860 -3.335 9.991 1.00 0.00 C ATOM 126 OE1 GLU A 10 -10.966 -3.061 10.503 1.00 0.00 O ATOM 127 OE2 GLU A 10 -8.768 -3.079 10.542 1.00 0.00 O ATOM 0 H GLU A 10 -9.233 -5.193 6.778 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.968 -4.449 5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.380 -2.713 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.926 -4.339 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.706 -5.088 8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.982 -3.657 8.066 1.00 0.00 H new ATOM 134 N LYS A 11 -9.759 -2.048 6.167 1.00 0.00 N ATOM 135 CA LYS A 11 -9.262 -0.855 5.493 1.00 0.00 C ATOM 136 C LYS A 11 -8.634 -1.230 4.157 1.00 0.00 C ATOM 137 O LYS A 11 -9.168 -0.904 3.099 1.00 0.00 O ATOM 138 CB LYS A 11 -8.240 -0.139 6.373 1.00 0.00 C ATOM 139 CG LYS A 11 -8.770 0.217 7.753 1.00 0.00 C ATOM 140 CD LYS A 11 -7.721 -0.011 8.829 1.00 0.00 C ATOM 141 CE LYS A 11 -8.331 0.029 10.220 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.449 1.420 10.735 1.00 0.00 N ATOM 0 H LYS A 11 -9.453 -2.145 7.135 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.099 -0.181 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.360 -0.773 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.916 0.773 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.084 1.261 7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.653 -0.384 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.239 -0.976 8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.945 0.750 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.317 -0.434 10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.718 -0.560 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.870 1.404 11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.505 1.854 10.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.055 1.976 10.098 1.00 0.00 H new ATOM 155 N TRP A 12 -7.503 -1.930 4.225 1.00 0.00 N ATOM 156 CA TRP A 12 -6.792 -2.377 3.028 1.00 0.00 C ATOM 157 C TRP A 12 -7.787 -2.840 1.963 1.00 0.00 C ATOM 158 O TRP A 12 -8.737 -3.562 2.268 1.00 0.00 O ATOM 159 CB TRP A 12 -5.822 -3.522 3.363 1.00 0.00 C ATOM 160 CG TRP A 12 -5.057 -3.354 4.652 1.00 0.00 C ATOM 161 CD1 TRP A 12 -5.022 -2.256 5.467 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.205 -4.329 5.268 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.212 -2.493 6.549 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.697 -3.757 6.450 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.824 -5.633 4.935 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.830 -4.442 7.297 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.963 -6.312 5.777 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.475 -5.715 6.946 1.00 0.00 C ATOM 0 H TRP A 12 -7.057 -2.201 5.101 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.218 -1.535 2.642 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.386 -4.453 3.412 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.108 -3.624 2.545 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.555 -1.335 5.285 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.024 -1.834 7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.196 -6.101 4.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.451 -3.984 8.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.662 -7.319 5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.804 -6.272 7.584 1.00 0.00 H new ATOM 179 N ILE A 13 -7.584 -2.406 0.719 1.00 0.00 N ATOM 180 CA ILE A 13 -8.492 -2.768 -0.369 1.00 0.00 C ATOM 181 C ILE A 13 -7.752 -3.303 -1.597 1.00 0.00 C ATOM 182 O ILE A 13 -6.855 -2.652 -2.125 1.00 0.00 O ATOM 183 CB ILE A 13 -9.349 -1.561 -0.803 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.133 -0.376 0.156 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.814 -1.962 -0.866 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.402 0.353 0.553 1.00 0.00 C ATOM 0 H ILE A 13 -6.806 -1.808 0.441 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.130 -3.559 0.026 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.040 -1.242 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.641 -0.740 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.453 0.335 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.413 -1.105 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.940 -2.769 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.141 -2.300 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.155 1.172 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.886 0.752 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.078 -0.340 1.054 1.00 0.00 H new ATOM 198 N ASN A 14 -8.154 -4.487 -2.054 1.00 0.00 N ATOM 199 CA ASN A 14 -7.544 -5.113 -3.227 1.00 0.00 C ATOM 200 C ASN A 14 -8.463 -5.004 -4.442 1.00 0.00 C ATOM 201 O ASN A 14 -9.685 -4.940 -4.303 1.00 0.00 O ATOM 202 CB ASN A 14 -7.222 -6.581 -2.945 1.00 0.00 C ATOM 203 CG ASN A 14 -6.816 -7.336 -4.196 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.557 -8.185 -4.691 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.631 -7.031 -4.712 1.00 0.00 N ATOM 0 H ASN A 14 -8.902 -5.035 -1.629 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.616 -4.584 -3.446 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.417 -6.639 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.093 -7.062 -2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.303 -7.508 -5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.049 -6.320 -4.268 1.00 0.00 H new ATOM 212 N PHE A 15 -7.869 -4.979 -5.633 1.00 0.00 N ATOM 213 CA PHE A 15 -8.638 -4.874 -6.868 1.00 0.00 C ATOM 214 C PHE A 15 -8.235 -5.968 -7.858 1.00 0.00 C ATOM 215 O PHE A 15 -8.177 -7.144 -7.498 1.00 0.00 O ATOM 216 CB PHE A 15 -8.443 -3.490 -7.496 1.00 0.00 C ATOM 217 CG PHE A 15 -8.381 -2.377 -6.490 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.540 -1.757 -6.049 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.164 -1.950 -5.986 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.484 -0.733 -5.123 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.101 -0.926 -5.061 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.263 -0.317 -4.628 1.00 0.00 C ATOM 0 H PHE A 15 -6.859 -5.030 -5.768 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.692 -5.007 -6.626 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.523 -3.492 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.261 -3.296 -8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.497 -2.078 -6.433 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.253 -2.423 -6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.394 -0.258 -4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.145 -0.602 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.217 0.483 -3.904 1.00 0.00 H new ATOM 232 N GLN A 16 -7.960 -5.577 -9.104 1.00 0.00 N ATOM 233 CA GLN A 16 -7.565 -6.529 -10.136 1.00 0.00 C ATOM 234 C GLN A 16 -6.444 -7.436 -9.641 1.00 0.00 C ATOM 235 O GLN A 16 -6.508 -8.657 -9.796 1.00 0.00 O ATOM 236 CB GLN A 16 -7.119 -5.789 -11.399 1.00 0.00 C ATOM 237 CG GLN A 16 -6.234 -4.586 -11.121 1.00 0.00 C ATOM 238 CD GLN A 16 -5.913 -3.796 -12.374 1.00 0.00 C ATOM 239 OE1 GLN A 16 -5.179 -4.262 -13.246 1.00 0.00 O ATOM 240 NE2 GLN A 16 -6.462 -2.591 -12.471 1.00 0.00 N ATOM 0 H GLN A 16 -8.004 -4.608 -9.420 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.430 -7.148 -10.373 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.581 -6.483 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.002 -5.461 -11.948 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.729 -3.934 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.305 -4.922 -10.660 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.064 -2.243 -11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.281 -2.013 -13.292 1.00 0.00 H new ATOM 249 N ARG A 17 -5.422 -6.835 -9.041 1.00 0.00 N ATOM 250 CA ARG A 17 -4.292 -7.594 -8.520 1.00 0.00 C ATOM 251 C ARG A 17 -3.446 -6.745 -7.578 1.00 0.00 C ATOM 252 O ARG A 17 -2.450 -7.217 -7.029 1.00 0.00 O ATOM 253 CB ARG A 17 -3.428 -8.125 -9.665 1.00 0.00 C ATOM 254 CG ARG A 17 -3.052 -7.063 -10.686 1.00 0.00 C ATOM 255 CD ARG A 17 -1.560 -6.770 -10.659 1.00 0.00 C ATOM 256 NE ARG A 17 -1.177 -5.789 -11.672 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.405 -6.071 -12.717 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.064 -7.300 -12.887 1.00 0.00 N ATOM 259 NH2 ARG A 17 -0.101 -5.124 -13.593 1.00 0.00 N ATOM 0 H ARG A 17 -5.353 -5.827 -8.904 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.690 -8.438 -7.956 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.517 -8.558 -9.251 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.963 -8.929 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.341 -7.396 -11.683 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.608 -6.148 -10.482 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.281 -6.400 -9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.006 -7.694 -10.822 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.521 -4.834 -11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.167 -8.032 -12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.656 -7.513 -13.690 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.459 -4.178 -13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.491 -5.342 -14.394 1.00 0.00 H new ATOM 273 N LYS A 18 -3.856 -5.498 -7.385 1.00 0.00 N ATOM 274 CA LYS A 18 -3.153 -4.590 -6.505 1.00 0.00 C ATOM 275 C LYS A 18 -4.027 -4.255 -5.310 1.00 0.00 C ATOM 276 O LYS A 18 -5.248 -4.370 -5.373 1.00 0.00 O ATOM 277 CB LYS A 18 -2.776 -3.313 -7.251 1.00 0.00 C ATOM 278 CG LYS A 18 -3.932 -2.341 -7.399 1.00 0.00 C ATOM 279 CD LYS A 18 -3.835 -1.553 -8.695 1.00 0.00 C ATOM 280 CE LYS A 18 -3.991 -0.061 -8.451 1.00 0.00 C ATOM 281 NZ LYS A 18 -3.236 0.747 -9.448 1.00 0.00 N ATOM 0 H LYS A 18 -4.679 -5.095 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.239 -5.072 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.960 -2.819 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.402 -3.575 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.874 -2.888 -7.374 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.941 -1.653 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.873 -1.747 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.606 -1.892 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.047 0.205 -8.493 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.641 0.181 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.368 1.759 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.224 0.512 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.587 0.535 -10.404 1.00 0.00 H new ATOM 294 N CYS A 19 -3.402 -3.846 -4.224 1.00 0.00 N ATOM 295 CA CYS A 19 -4.134 -3.501 -3.020 1.00 0.00 C ATOM 296 C CYS A 19 -3.701 -2.147 -2.487 1.00 0.00 C ATOM 297 O CYS A 19 -2.648 -1.623 -2.850 1.00 0.00 O ATOM 298 CB CYS A 19 -3.935 -4.580 -1.948 1.00 0.00 C ATOM 299 SG CYS A 19 -4.952 -4.349 -0.452 1.00 0.00 S ATOM 0 H CYS A 19 -2.390 -3.744 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.193 -3.444 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.164 -5.553 -2.382 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.884 -4.599 -1.659 1.00 0.00 H new ATOM 304 N TYR A 20 -4.524 -1.601 -1.611 1.00 0.00 N ATOM 305 CA TYR A 20 -4.259 -0.320 -0.989 1.00 0.00 C ATOM 306 C TYR A 20 -4.296 -0.494 0.512 1.00 0.00 C ATOM 307 O TYR A 20 -4.945 -1.399 1.033 1.00 0.00 O ATOM 308 CB TYR A 20 -5.286 0.737 -1.421 1.00 0.00 C ATOM 309 CG TYR A 20 -4.943 1.445 -2.716 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.369 0.761 -3.780 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.196 2.803 -2.871 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.056 1.409 -4.961 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.888 3.457 -4.048 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.318 2.757 -5.089 1.00 0.00 C ATOM 315 OH TYR A 20 -4.009 3.405 -6.263 1.00 0.00 O ATOM 0 H TYR A 20 -5.397 -2.036 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.276 0.029 -1.306 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.259 0.259 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.382 1.479 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.164 -0.295 -3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.641 3.356 -2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.609 0.863 -5.778 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.093 4.512 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.827 3.549 -6.782 1.00 0.00 H new ATOM 325 N TYR A 21 -3.585 0.368 1.191 1.00 0.00 N ATOM 326 CA TYR A 21 -3.503 0.330 2.635 1.00 0.00 C ATOM 327 C TYR A 21 -4.090 1.589 3.217 1.00 0.00 C ATOM 328 O TYR A 21 -3.553 2.660 3.014 1.00 0.00 O ATOM 329 CB TYR A 21 -2.045 0.218 3.086 1.00 0.00 C ATOM 330 CG TYR A 21 -1.504 -1.188 3.111 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.699 -2.000 4.216 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.786 -1.701 2.036 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.200 -3.282 4.257 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.279 -2.985 2.065 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.489 -3.774 3.180 1.00 0.00 C ATOM 336 OH TYR A 21 0.012 -5.055 3.217 1.00 0.00 O ATOM 0 H TYR A 21 -3.044 1.119 0.761 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.061 -0.539 2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.425 0.820 2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.953 0.647 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.253 -1.620 5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.622 -1.085 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.364 -3.900 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.277 -3.370 1.223 1.00 0.00 H new ATOM 0 HH TYR A 21 0.671 -5.128 3.939 1.00 0.00 H new ATOM 346 N PHE A 22 -5.173 1.467 3.951 1.00 0.00 N ATOM 347 CA PHE A 22 -5.783 2.623 4.574 1.00 0.00 C ATOM 348 C PHE A 22 -5.869 2.372 6.070 1.00 0.00 C ATOM 349 O PHE A 22 -6.941 2.455 6.670 1.00 0.00 O ATOM 350 CB PHE A 22 -7.180 2.889 3.997 1.00 0.00 C ATOM 351 CG PHE A 22 -7.212 3.147 2.510 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.122 3.698 1.857 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.343 2.843 1.768 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.156 3.940 0.495 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.383 3.081 0.404 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.288 3.631 -0.233 1.00 0.00 C ATOM 0 H PHE A 22 -5.649 0.583 4.132 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.174 3.505 4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.818 2.033 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.612 3.748 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.233 3.942 2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.204 2.415 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.297 4.371 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.270 2.837 -0.161 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.317 3.819 -1.296 1.00 0.00 H new ATOM 366 N GLY A 23 -4.726 2.034 6.661 1.00 0.00 N ATOM 367 CA GLY A 23 -4.682 1.734 8.074 1.00 0.00 C ATOM 368 C GLY A 23 -4.472 2.970 8.929 1.00 0.00 C ATOM 369 O GLY A 23 -4.428 4.087 8.414 1.00 0.00 O ATOM 0 H GLY A 23 -3.829 1.964 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.613 1.248 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.878 1.024 8.266 1.00 0.00 H new ATOM 373 N LYS A 24 -4.343 2.772 10.238 1.00 0.00 N ATOM 374 CA LYS A 24 -4.138 3.883 11.161 1.00 0.00 C ATOM 375 C LYS A 24 -2.729 3.861 11.748 1.00 0.00 C ATOM 376 O LYS A 24 -2.248 2.819 12.193 1.00 0.00 O ATOM 377 CB LYS A 24 -5.172 3.834 12.288 1.00 0.00 C ATOM 378 CG LYS A 24 -5.285 2.470 12.950 1.00 0.00 C ATOM 379 CD LYS A 24 -6.181 2.520 14.178 1.00 0.00 C ATOM 380 CE LYS A 24 -5.368 2.514 15.462 1.00 0.00 C ATOM 381 NZ LYS A 24 -5.782 1.416 16.378 1.00 0.00 N ATOM 0 H LYS A 24 -4.377 1.854 10.682 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.260 4.810 10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.910 4.575 13.043 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.146 4.117 11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.684 1.750 12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.293 2.120 13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.799 3.417 14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.858 1.666 14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.310 2.406 15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.483 3.472 15.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.203 1.447 17.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.785 1.533 16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.648 0.500 15.905 1.00 0.00 H new ATOM 394 N GLY A 25 -2.076 5.020 11.746 1.00 0.00 N ATOM 395 CA GLY A 25 -0.728 5.117 12.280 1.00 0.00 C ATOM 396 C GLY A 25 0.079 6.222 11.625 1.00 0.00 C ATOM 397 O GLY A 25 -0.426 6.932 10.755 1.00 0.00 O ATOM 0 H GLY A 25 -2.456 5.894 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.778 5.296 13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.216 4.165 12.139 1.00 0.00 H new ATOM 401 N THR A 26 1.335 6.365 12.047 1.00 0.00 N ATOM 402 CA THR A 26 2.226 7.388 11.501 1.00 0.00 C ATOM 403 C THR A 26 1.734 8.791 11.861 1.00 0.00 C ATOM 404 O THR A 26 0.534 9.026 11.994 1.00 0.00 O ATOM 405 CB THR A 26 2.347 7.228 9.979 1.00 0.00 C ATOM 406 OG1 THR A 26 3.440 6.390 9.652 1.00 0.00 O ATOM 407 CG2 THR A 26 2.539 8.533 9.238 1.00 0.00 C ATOM 0 H THR A 26 1.760 5.782 12.769 1.00 0.00 H new ATOM 0 HA THR A 26 3.213 7.257 11.944 1.00 0.00 H new ATOM 0 HB THR A 26 1.397 6.794 9.666 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.611 5.771 10.392 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.616 8.336 8.169 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.688 9.187 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.452 9.017 9.584 1.00 0.00 H new ATOM 415 N LYS A 27 2.676 9.720 12.023 1.00 0.00 N ATOM 416 CA LYS A 27 2.339 11.097 12.374 1.00 0.00 C ATOM 417 C LYS A 27 2.946 12.085 11.379 1.00 0.00 C ATOM 418 O LYS A 27 2.628 13.274 11.400 1.00 0.00 O ATOM 419 CB LYS A 27 2.828 11.418 13.787 1.00 0.00 C ATOM 420 CG LYS A 27 4.323 11.211 13.976 1.00 0.00 C ATOM 421 CD LYS A 27 4.720 11.318 15.439 1.00 0.00 C ATOM 422 CE LYS A 27 6.217 11.532 15.596 1.00 0.00 C ATOM 423 NZ LYS A 27 6.901 10.315 16.114 1.00 0.00 N ATOM 0 H LYS A 27 3.675 9.544 11.917 1.00 0.00 H new ATOM 0 HA LYS A 27 1.254 11.196 12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.581 12.453 14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.290 10.792 14.499 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.607 10.231 13.592 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.870 11.953 13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.183 12.145 15.903 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.424 10.410 15.965 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.647 11.808 14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.395 12.365 16.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.920 10.502 16.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.509 10.066 17.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.753 9.526 15.453 1.00 0.00 H new ATOM 436 N GLN A 28 3.817 11.585 10.507 1.00 0.00 N ATOM 437 CA GLN A 28 4.466 12.423 9.503 1.00 0.00 C ATOM 438 C GLN A 28 4.455 11.736 8.142 1.00 0.00 C ATOM 439 O GLN A 28 4.325 10.516 8.056 1.00 0.00 O ATOM 440 CB GLN A 28 5.905 12.735 9.919 1.00 0.00 C ATOM 441 CG GLN A 28 6.018 13.374 11.293 1.00 0.00 C ATOM 442 CD GLN A 28 6.061 14.889 11.230 1.00 0.00 C ATOM 443 OE1 GLN A 28 5.317 15.511 10.473 1.00 0.00 O ATOM 444 NE2 GLN A 28 6.937 15.490 12.028 1.00 0.00 N ATOM 0 H GLN A 28 4.090 10.603 10.475 1.00 0.00 H new ATOM 0 HA GLN A 28 3.910 13.357 9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.485 11.812 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.351 13.401 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.171 13.063 11.905 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.919 13.009 11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.534 14.934 12.640 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.012 16.507 12.029 1.00 0.00 H new ATOM 453 N TRP A 29 4.589 12.524 7.079 1.00 0.00 N ATOM 454 CA TRP A 29 4.590 11.976 5.728 1.00 0.00 C ATOM 455 C TRP A 29 5.685 10.932 5.561 1.00 0.00 C ATOM 456 O TRP A 29 5.437 9.830 5.072 1.00 0.00 O ATOM 457 CB TRP A 29 4.775 13.082 4.692 1.00 0.00 C ATOM 458 CG TRP A 29 4.714 12.563 3.291 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.599 12.424 2.517 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.813 12.092 2.504 1.00 0.00 C ATOM 461 NE1 TRP A 29 3.937 11.894 1.297 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.291 11.685 1.263 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.188 11.978 2.729 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.095 11.169 0.250 1.00 0.00 C ATOM 465 CZ3 TRP A 29 7.986 11.467 1.722 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.437 11.069 0.496 1.00 0.00 C ATOM 0 H TRP A 29 4.698 13.537 7.127 1.00 0.00 H new ATOM 0 HA TRP A 29 3.623 11.499 5.569 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.003 13.839 4.830 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.735 13.572 4.854 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.598 12.692 2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.286 11.689 0.539 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.619 12.283 3.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.675 10.859 -0.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.050 11.373 1.883 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.087 10.675 -0.271 1.00 0.00 H new ATOM 477 N VAL A 30 6.894 11.288 5.969 1.00 0.00 N ATOM 478 CA VAL A 30 8.033 10.385 5.870 1.00 0.00 C ATOM 479 C VAL A 30 7.735 9.069 6.570 1.00 0.00 C ATOM 480 O VAL A 30 8.218 8.011 6.168 1.00 0.00 O ATOM 481 CB VAL A 30 9.299 11.009 6.482 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.876 12.057 5.548 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.991 11.612 7.842 1.00 0.00 C ATOM 0 H VAL A 30 7.113 12.199 6.373 1.00 0.00 H new ATOM 0 HA VAL A 30 8.210 10.202 4.810 1.00 0.00 H new ATOM 0 HB VAL A 30 10.043 10.224 6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.771 12.489 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.133 11.593 4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.138 12.842 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.898 12.049 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.232 12.387 7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.622 10.834 8.510 1.00 0.00 H new ATOM 493 N HIS A 31 6.929 9.143 7.619 1.00 0.00 N ATOM 494 CA HIS A 31 6.552 7.957 8.373 1.00 0.00 C ATOM 495 C HIS A 31 5.592 7.094 7.561 1.00 0.00 C ATOM 496 O HIS A 31 5.542 5.876 7.733 1.00 0.00 O ATOM 497 CB HIS A 31 5.913 8.351 9.705 1.00 0.00 C ATOM 498 CG HIS A 31 6.882 8.382 10.846 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.014 7.350 11.752 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.772 9.329 11.227 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.940 7.661 12.640 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.416 8.856 12.344 1.00 0.00 N ATOM 0 H HIS A 31 6.524 10.012 7.967 1.00 0.00 H new ATOM 0 HA HIS A 31 7.452 7.378 8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.454 9.334 9.602 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.113 7.648 9.937 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.943 10.279 10.743 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.255 7.043 13.468 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.144 9.348 12.861 1.00 0.00 H new ATOM 511 N ALA A 32 4.831 7.734 6.672 1.00 0.00 N ATOM 512 CA ALA A 32 3.880 7.015 5.837 1.00 0.00 C ATOM 513 C ALA A 32 4.602 6.172 4.794 1.00 0.00 C ATOM 514 O ALA A 32 4.316 4.985 4.642 1.00 0.00 O ATOM 515 CB ALA A 32 2.925 7.990 5.163 1.00 0.00 C ATOM 0 H ALA A 32 4.857 8.742 6.515 1.00 0.00 H new ATOM 0 HA ALA A 32 3.304 6.345 6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.220 7.438 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.379 8.549 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.492 8.683 4.541 1.00 0.00 H new ATOM 521 N ARG A 33 5.553 6.784 4.093 1.00 0.00 N ATOM 522 CA ARG A 33 6.326 6.076 3.082 1.00 0.00 C ATOM 523 C ARG A 33 7.102 4.932 3.719 1.00 0.00 C ATOM 524 O ARG A 33 7.205 3.846 3.150 1.00 0.00 O ATOM 525 CB ARG A 33 7.279 7.029 2.355 1.00 0.00 C ATOM 526 CG ARG A 33 8.287 7.706 3.267 1.00 0.00 C ATOM 527 CD ARG A 33 9.714 7.425 2.826 1.00 0.00 C ATOM 528 NE ARG A 33 10.680 7.710 3.884 1.00 0.00 N ATOM 529 CZ ARG A 33 11.991 7.801 3.681 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.491 7.632 2.464 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.804 8.064 4.695 1.00 0.00 N ATOM 0 H ARG A 33 5.805 7.766 4.207 1.00 0.00 H new ATOM 0 HA ARG A 33 5.633 5.665 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.816 6.474 1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.693 7.794 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.111 8.782 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.146 7.357 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.802 6.381 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.948 8.029 1.949 1.00 0.00 H new ATOM 0 HE ARG A 33 10.329 7.847 4.832 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.869 7.432 1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.497 7.702 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.424 8.197 5.632 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.809 8.133 4.538 1.00 0.00 H new ATOM 545 N TYR A 34 7.629 5.178 4.914 1.00 0.00 N ATOM 546 CA TYR A 34 8.373 4.156 5.638 1.00 0.00 C ATOM 547 C TYR A 34 7.461 2.976 5.934 1.00 0.00 C ATOM 548 O TYR A 34 7.883 1.821 5.888 1.00 0.00 O ATOM 549 CB TYR A 34 8.946 4.724 6.937 1.00 0.00 C ATOM 550 CG TYR A 34 10.438 4.520 7.081 1.00 0.00 C ATOM 551 CD1 TYR A 34 10.956 3.291 7.466 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.327 5.558 6.833 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.318 3.099 7.599 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.691 5.376 6.964 1.00 0.00 C ATOM 555 CZ TYR A 34 13.181 4.145 7.347 1.00 0.00 C ATOM 556 OH TYR A 34 14.538 3.960 7.478 1.00 0.00 O ATOM 0 H TYR A 34 7.555 6.072 5.399 1.00 0.00 H new ATOM 0 HA TYR A 34 9.205 3.820 5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.727 5.791 6.985 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.441 4.257 7.782 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.283 2.470 7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.946 6.523 6.533 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.704 2.136 7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.369 6.193 6.768 1.00 0.00 H new ATOM 0 HH TYR A 34 15.004 4.795 7.263 1.00 0.00 H new ATOM 566 N ALA A 35 6.197 3.280 6.215 1.00 0.00 N ATOM 567 CA ALA A 35 5.211 2.248 6.491 1.00 0.00 C ATOM 568 C ALA A 35 4.981 1.414 5.240 1.00 0.00 C ATOM 569 O ALA A 35 4.823 0.194 5.308 1.00 0.00 O ATOM 570 CB ALA A 35 3.907 2.869 6.968 1.00 0.00 C ATOM 0 H ALA A 35 5.835 4.233 6.257 1.00 0.00 H new ATOM 0 HA ALA A 35 5.586 1.601 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.181 2.081 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.087 3.438 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.517 3.533 6.197 1.00 0.00 H new ATOM 576 N CYS A 36 4.986 2.087 4.091 1.00 0.00 N ATOM 577 CA CYS A 36 4.802 1.427 2.813 1.00 0.00 C ATOM 578 C CYS A 36 5.867 0.363 2.622 1.00 0.00 C ATOM 579 O CYS A 36 5.570 -0.781 2.280 1.00 0.00 O ATOM 580 CB CYS A 36 4.885 2.442 1.676 1.00 0.00 C ATOM 581 SG CYS A 36 3.969 3.984 1.985 1.00 0.00 S ATOM 0 H CYS A 36 5.117 3.096 4.026 1.00 0.00 H new ATOM 0 HA CYS A 36 3.817 0.960 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.932 2.684 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.503 1.982 0.765 1.00 0.00 H new ATOM 586 N ASP A 37 7.112 0.757 2.853 1.00 0.00 N ATOM 587 CA ASP A 37 8.240 -0.151 2.718 1.00 0.00 C ATOM 588 C ASP A 37 8.042 -1.379 3.599 1.00 0.00 C ATOM 589 O ASP A 37 8.437 -2.487 3.238 1.00 0.00 O ATOM 590 CB ASP A 37 9.544 0.557 3.092 1.00 0.00 C ATOM 591 CG ASP A 37 10.315 1.029 1.874 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.016 0.199 1.257 1.00 0.00 O ATOM 593 OD2 ASP A 37 10.219 2.228 1.539 1.00 0.00 O ATOM 0 H ASP A 37 7.366 1.704 3.136 1.00 0.00 H new ATOM 0 HA ASP A 37 8.301 -0.471 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.320 1.411 3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.169 -0.121 3.674 1.00 0.00 H new ATOM 598 N ASP A 38 7.416 -1.171 4.755 1.00 0.00 N ATOM 599 CA ASP A 38 7.152 -2.261 5.688 1.00 0.00 C ATOM 600 C ASP A 38 6.133 -3.234 5.103 1.00 0.00 C ATOM 601 O ASP A 38 6.135 -4.422 5.426 1.00 0.00 O ATOM 602 CB ASP A 38 6.642 -1.709 7.020 1.00 0.00 C ATOM 603 CG ASP A 38 7.008 -2.597 8.193 1.00 0.00 C ATOM 604 OD1 ASP A 38 6.648 -3.793 8.166 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.652 -2.097 9.138 1.00 0.00 O ATOM 0 H ASP A 38 7.083 -0.259 5.067 1.00 0.00 H new ATOM 0 HA ASP A 38 8.086 -2.796 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.055 -0.713 7.179 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.558 -1.601 6.974 1.00 0.00 H new ATOM 610 N MET A 39 5.269 -2.721 4.230 1.00 0.00 N ATOM 611 CA MET A 39 4.249 -3.538 3.585 1.00 0.00 C ATOM 612 C MET A 39 4.717 -3.966 2.200 1.00 0.00 C ATOM 613 O MET A 39 4.071 -4.774 1.533 1.00 0.00 O ATOM 614 CB MET A 39 2.933 -2.764 3.479 1.00 0.00 C ATOM 615 CG MET A 39 2.386 -2.308 4.822 1.00 0.00 C ATOM 616 SD MET A 39 1.936 -3.686 5.894 1.00 0.00 S ATOM 617 CE MET A 39 2.138 -2.938 7.509 1.00 0.00 C ATOM 0 H MET A 39 5.257 -1.739 3.954 1.00 0.00 H new ATOM 0 HA MET A 39 4.082 -4.428 4.192 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.084 -1.892 2.843 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.190 -3.392 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.132 -1.692 5.323 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.511 -1.679 4.659 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.896 -3.668 8.281 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.170 -2.610 7.631 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.471 -2.080 7.599 1.00 0.00 H new ATOM 627 N GLU A 40 5.851 -3.407 1.788 1.00 0.00 N ATOM 628 CA GLU A 40 6.450 -3.702 0.488 1.00 0.00 C ATOM 629 C GLU A 40 5.632 -3.097 -0.646 1.00 0.00 C ATOM 630 O GLU A 40 5.496 -3.695 -1.715 1.00 0.00 O ATOM 631 CB GLU A 40 6.590 -5.211 0.287 1.00 0.00 C ATOM 632 CG GLU A 40 7.744 -5.825 1.063 1.00 0.00 C ATOM 633 CD GLU A 40 8.158 -7.178 0.519 1.00 0.00 C ATOM 634 OE1 GLU A 40 7.562 -8.194 0.936 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.079 -7.224 -0.324 1.00 0.00 O ATOM 0 H GLU A 40 6.381 -2.737 2.345 1.00 0.00 H new ATOM 0 HA GLU A 40 7.442 -3.252 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.662 -5.697 0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.727 -5.416 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.598 -5.149 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.458 -5.930 2.110 1.00 0.00 H new ATOM 642 N GLY A 41 5.091 -1.910 -0.408 1.00 0.00 N ATOM 643 CA GLY A 41 4.291 -1.242 -1.416 1.00 0.00 C ATOM 644 C GLY A 41 4.862 0.097 -1.838 1.00 0.00 C ATOM 645 O GLY A 41 6.021 0.188 -2.245 1.00 0.00 O ATOM 0 H GLY A 41 5.192 -1.396 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.208 -1.887 -2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.282 -1.095 -1.031 1.00 0.00 H new ATOM 649 N GLN A 42 4.034 1.130 -1.763 1.00 0.00 N ATOM 650 CA GLN A 42 4.433 2.475 -2.160 1.00 0.00 C ATOM 651 C GLN A 42 3.500 3.478 -1.525 1.00 0.00 C ATOM 652 O GLN A 42 2.391 3.123 -1.140 1.00 0.00 O ATOM 653 CB GLN A 42 4.366 2.623 -3.680 1.00 0.00 C ATOM 654 CG GLN A 42 4.593 4.047 -4.169 1.00 0.00 C ATOM 655 CD GLN A 42 4.354 4.197 -5.658 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.105 3.666 -6.476 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.304 4.925 -6.015 1.00 0.00 N ATOM 0 H GLN A 42 3.073 1.061 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 42 5.457 2.652 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.112 1.970 -4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.391 2.281 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.930 4.723 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.614 4.349 -3.937 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.709 5.346 -5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.092 5.063 -7.003 1.00 0.00 H new ATOM 666 N LEU A 43 3.905 4.731 -1.428 1.00 0.00 N ATOM 667 CA LEU A 43 3.007 5.695 -0.854 1.00 0.00 C ATOM 668 C LEU A 43 1.965 6.010 -1.916 1.00 0.00 C ATOM 669 O LEU A 43 2.269 6.581 -2.963 1.00 0.00 O ATOM 670 CB LEU A 43 3.773 6.959 -0.435 1.00 0.00 C ATOM 671 CG LEU A 43 3.204 7.759 0.747 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.486 6.869 1.739 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.316 8.524 1.445 1.00 0.00 C ATOM 0 H LEU A 43 4.812 5.088 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 43 2.530 5.304 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.795 6.670 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.829 7.623 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 43 2.474 8.462 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.100 7.475 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.659 6.362 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.182 6.128 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.901 9.087 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.063 7.822 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.782 9.212 0.740 1.00 0.00 H new ATOM 685 N VAL A 44 0.744 5.581 -1.617 1.00 0.00 N ATOM 686 CA VAL A 44 -0.418 5.728 -2.492 1.00 0.00 C ATOM 687 C VAL A 44 -0.148 6.528 -3.757 1.00 0.00 C ATOM 688 O VAL A 44 -0.033 5.965 -4.846 1.00 0.00 O ATOM 689 CB VAL A 44 -1.586 6.371 -1.740 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.747 5.397 -1.648 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.139 6.818 -0.359 1.00 0.00 C ATOM 0 H VAL A 44 0.527 5.110 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.669 4.714 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.922 7.251 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.572 5.864 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.074 5.125 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.429 4.501 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.979 7.274 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.783 5.956 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.333 7.546 -0.455 1.00 0.00 H new ATOM 701 N SER A 45 -0.084 7.840 -3.607 1.00 0.00 N ATOM 702 CA SER A 45 0.134 8.732 -4.740 1.00 0.00 C ATOM 703 C SER A 45 -1.078 8.688 -5.665 1.00 0.00 C ATOM 704 O SER A 45 -0.960 8.406 -6.858 1.00 0.00 O ATOM 705 CB SER A 45 1.399 8.340 -5.507 1.00 0.00 C ATOM 706 OG SER A 45 2.298 9.429 -5.600 1.00 0.00 O ATOM 0 H SER A 45 -0.180 8.315 -2.710 1.00 0.00 H new ATOM 0 HA SER A 45 0.267 9.747 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.887 7.504 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.131 8.000 -6.507 1.00 0.00 H new ATOM 0 HG SER A 45 2.291 9.781 -6.514 1.00 0.00 H new ATOM 712 N ILE A 46 -2.248 8.949 -5.088 1.00 0.00 N ATOM 713 CA ILE A 46 -3.506 8.925 -5.832 1.00 0.00 C ATOM 714 C ILE A 46 -3.432 9.781 -7.092 1.00 0.00 C ATOM 715 O ILE A 46 -2.799 10.837 -7.107 1.00 0.00 O ATOM 716 CB ILE A 46 -4.703 9.399 -4.971 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.232 9.952 -3.618 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.695 8.260 -4.770 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.923 8.882 -2.587 1.00 0.00 C ATOM 0 H ILE A 46 -2.352 9.181 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.667 7.884 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.203 10.208 -5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.340 10.558 -3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.001 10.614 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.531 8.608 -4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.065 7.925 -5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.200 7.431 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.597 9.353 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.818 8.290 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.131 8.233 -2.962 1.00 0.00 H new ATOM 731 N HIS A 47 -4.086 9.307 -8.150 1.00 0.00 N ATOM 732 CA HIS A 47 -4.107 10.011 -9.428 1.00 0.00 C ATOM 733 C HIS A 47 -5.522 10.040 -10.001 1.00 0.00 C ATOM 734 O HIS A 47 -5.755 10.580 -11.083 1.00 0.00 O ATOM 735 CB HIS A 47 -3.154 9.331 -10.415 1.00 0.00 C ATOM 736 CG HIS A 47 -2.973 10.082 -11.698 1.00 0.00 C ATOM 737 ND1 HIS A 47 -3.318 11.408 -11.851 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.482 9.682 -12.897 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.050 11.791 -13.087 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.542 10.764 -13.740 1.00 0.00 N ATOM 0 H HIS A 47 -4.611 8.433 -8.146 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.779 11.038 -9.265 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.182 9.205 -9.938 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.530 8.333 -10.639 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.113 8.697 -13.143 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.218 12.777 -13.493 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.242 10.772 -14.715 1.00 0.00 H new ATOM 749 N SER A 48 -6.468 9.457 -9.269 1.00 0.00 N ATOM 750 CA SER A 48 -7.852 9.423 -9.708 1.00 0.00 C ATOM 751 C SER A 48 -8.755 10.063 -8.666 1.00 0.00 C ATOM 752 O SER A 48 -8.791 9.622 -7.518 1.00 0.00 O ATOM 753 CB SER A 48 -8.293 7.981 -9.968 1.00 0.00 C ATOM 754 OG SER A 48 -7.183 7.100 -9.962 1.00 0.00 O ATOM 0 H SER A 48 -6.298 9.004 -8.371 1.00 0.00 H new ATOM 0 HA SER A 48 -7.932 9.988 -10.636 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.010 7.673 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.804 7.921 -10.929 1.00 0.00 H new ATOM 0 HG SER A 48 -7.464 6.218 -10.284 1.00 0.00 H new ATOM 760 N PRO A 49 -9.499 11.114 -9.050 1.00 0.00 N ATOM 761 CA PRO A 49 -10.405 11.803 -8.133 1.00 0.00 C ATOM 762 C PRO A 49 -11.259 10.813 -7.351 1.00 0.00 C ATOM 763 O PRO A 49 -11.661 11.079 -6.218 1.00 0.00 O ATOM 764 CB PRO A 49 -11.263 12.656 -9.067 1.00 0.00 C ATOM 765 CG PRO A 49 -10.372 12.936 -10.229 1.00 0.00 C ATOM 766 CD PRO A 49 -9.520 11.708 -10.401 1.00 0.00 C ATOM 0 HA PRO A 49 -9.882 12.390 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.164 12.126 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.585 13.577 -8.581 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.954 13.136 -11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.756 13.816 -10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.946 11.023 -11.134 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.517 11.960 -10.745 1.00 0.00 H new ATOM 774 N GLU A 50 -11.512 9.659 -7.962 1.00 0.00 N ATOM 775 CA GLU A 50 -12.294 8.611 -7.326 1.00 0.00 C ATOM 776 C GLU A 50 -11.491 7.934 -6.230 1.00 0.00 C ATOM 777 O GLU A 50 -11.998 7.691 -5.138 1.00 0.00 O ATOM 778 CB GLU A 50 -12.731 7.564 -8.347 1.00 0.00 C ATOM 779 CG GLU A 50 -13.422 6.367 -7.721 1.00 0.00 C ATOM 780 CD GLU A 50 -13.452 5.163 -8.642 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.409 4.488 -8.772 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.519 4.894 -9.233 1.00 0.00 O ATOM 0 H GLU A 50 -11.184 9.428 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.178 9.077 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.405 8.028 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.858 7.221 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.911 6.100 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.443 6.640 -7.453 1.00 0.00 H new ATOM 789 N GLU A 51 -10.238 7.620 -6.539 1.00 0.00 N ATOM 790 CA GLU A 51 -9.367 6.959 -5.587 1.00 0.00 C ATOM 791 C GLU A 51 -9.144 7.840 -4.367 1.00 0.00 C ATOM 792 O GLU A 51 -9.261 7.381 -3.231 1.00 0.00 O ATOM 793 CB GLU A 51 -8.033 6.602 -6.244 1.00 0.00 C ATOM 794 CG GLU A 51 -8.117 5.411 -7.184 1.00 0.00 C ATOM 795 CD GLU A 51 -7.556 4.144 -6.570 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.965 3.797 -5.442 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.706 3.496 -7.218 1.00 0.00 O ATOM 0 H GLU A 51 -9.807 7.814 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.848 6.037 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.668 7.467 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.300 6.389 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.158 5.245 -7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.573 5.638 -8.101 1.00 0.00 H new ATOM 804 N GLN A 52 -8.839 9.113 -4.604 1.00 0.00 N ATOM 805 CA GLN A 52 -8.624 10.054 -3.514 1.00 0.00 C ATOM 806 C GLN A 52 -9.862 10.110 -2.629 1.00 0.00 C ATOM 807 O GLN A 52 -9.762 10.134 -1.405 1.00 0.00 O ATOM 808 CB GLN A 52 -8.285 11.451 -4.056 1.00 0.00 C ATOM 809 CG GLN A 52 -9.502 12.341 -4.290 1.00 0.00 C ATOM 810 CD GLN A 52 -9.747 13.350 -3.176 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.489 14.315 -3.360 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.128 13.144 -2.015 1.00 0.00 N ATOM 0 H GLN A 52 -8.736 9.513 -5.537 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.778 9.711 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.614 11.948 -3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.742 11.343 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.374 12.876 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.385 11.712 -4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.520 12.333 -1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.262 13.797 -1.243 1.00 0.00 H new ATOM 821 N ASP A 53 -11.026 10.103 -3.269 1.00 0.00 N ATOM 822 CA ASP A 53 -12.299 10.128 -2.570 1.00 0.00 C ATOM 823 C ASP A 53 -12.520 8.804 -1.858 1.00 0.00 C ATOM 824 O ASP A 53 -13.107 8.752 -0.779 1.00 0.00 O ATOM 825 CB ASP A 53 -13.440 10.391 -3.554 1.00 0.00 C ATOM 826 CG ASP A 53 -14.743 10.726 -2.856 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.693 11.319 -1.757 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.815 10.398 -3.407 1.00 0.00 O ATOM 0 H ASP A 53 -11.110 10.080 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.282 10.932 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.164 11.213 -4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.584 9.512 -4.182 1.00 0.00 H new ATOM 833 N PHE A 54 -12.053 7.736 -2.490 1.00 0.00 N ATOM 834 CA PHE A 54 -12.192 6.396 -1.956 1.00 0.00 C ATOM 835 C PHE A 54 -11.513 6.279 -0.599 1.00 0.00 C ATOM 836 O PHE A 54 -12.120 5.834 0.375 1.00 0.00 O ATOM 837 CB PHE A 54 -11.559 5.412 -2.936 1.00 0.00 C ATOM 838 CG PHE A 54 -12.525 4.427 -3.515 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.779 3.229 -2.872 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.174 4.700 -4.705 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.668 2.316 -3.407 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.064 3.795 -5.247 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.312 2.599 -4.598 1.00 0.00 C ATOM 0 H PHE A 54 -11.568 7.778 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.250 6.171 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.095 5.971 -3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.763 4.869 -2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.277 3.005 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.982 5.632 -5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.859 1.384 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.566 4.020 -6.176 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.007 1.888 -5.020 1.00 0.00 H new ATOM 853 N LEU A 55 -10.261 6.707 -0.539 1.00 0.00 N ATOM 854 CA LEU A 55 -9.505 6.679 0.704 1.00 0.00 C ATOM 855 C LEU A 55 -9.998 7.772 1.635 1.00 0.00 C ATOM 856 O LEU A 55 -10.024 7.609 2.853 1.00 0.00 O ATOM 857 CB LEU A 55 -8.019 6.864 0.435 1.00 0.00 C ATOM 858 CG LEU A 55 -7.691 7.825 -0.699 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.132 9.123 -0.147 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.716 7.180 -1.666 1.00 0.00 C ATOM 0 H LEU A 55 -9.747 7.078 -1.338 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.654 5.708 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.541 7.223 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.581 5.892 0.207 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.607 8.056 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.902 9.800 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.869 9.587 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.223 8.917 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.489 7.877 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.797 6.923 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.161 6.276 -2.082 1.00 0.00 H new ATOM 872 N THR A 56 -10.388 8.893 1.036 1.00 0.00 N ATOM 873 CA THR A 56 -10.885 10.033 1.783 1.00 0.00 C ATOM 874 C THR A 56 -12.129 9.634 2.566 1.00 0.00 C ATOM 875 O THR A 56 -12.304 10.023 3.721 1.00 0.00 O ATOM 876 CB THR A 56 -11.193 11.185 0.818 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.224 12.211 0.930 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.551 11.815 1.024 1.00 0.00 C ATOM 0 H THR A 56 -10.367 9.032 0.026 1.00 0.00 H new ATOM 0 HA THR A 56 -10.126 10.367 2.491 1.00 0.00 H new ATOM 0 HB THR A 56 -11.177 10.727 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.470 12.815 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.692 12.620 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.327 11.062 0.883 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.616 12.217 2.035 1.00 0.00 H new ATOM 886 N LYS A 57 -12.979 8.838 1.929 1.00 0.00 N ATOM 887 CA LYS A 57 -14.195 8.358 2.558 1.00 0.00 C ATOM 888 C LYS A 57 -13.850 7.287 3.578 1.00 0.00 C ATOM 889 O LYS A 57 -14.481 7.184 4.630 1.00 0.00 O ATOM 890 CB LYS A 57 -15.158 7.799 1.508 1.00 0.00 C ATOM 891 CG LYS A 57 -16.349 8.702 1.233 1.00 0.00 C ATOM 892 CD LYS A 57 -17.300 8.075 0.225 1.00 0.00 C ATOM 893 CE LYS A 57 -16.866 8.364 -1.203 1.00 0.00 C ATOM 894 NZ LYS A 57 -18.024 8.396 -2.138 1.00 0.00 N ATOM 0 H LYS A 57 -12.844 8.512 0.972 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.686 9.190 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.614 7.636 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.520 6.826 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.881 8.899 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.999 9.663 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.341 6.997 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.307 8.459 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.345 9.321 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.157 7.603 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.687 8.596 -3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.507 7.475 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.688 9.140 -1.843 1.00 0.00 H new ATOM 907 N HIS A 58 -12.828 6.495 3.260 1.00 0.00 N ATOM 908 CA HIS A 58 -12.381 5.436 4.150 1.00 0.00 C ATOM 909 C HIS A 58 -11.704 6.029 5.381 1.00 0.00 C ATOM 910 O HIS A 58 -11.683 5.414 6.447 1.00 0.00 O ATOM 911 CB HIS A 58 -11.416 4.500 3.422 1.00 0.00 C ATOM 912 CG HIS A 58 -11.638 3.053 3.738 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.317 2.194 2.900 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.266 2.312 4.810 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.355 0.990 3.441 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.724 1.036 4.600 1.00 0.00 N ATOM 0 H HIS A 58 -12.297 6.570 2.392 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.252 4.863 4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.518 4.649 2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.393 4.769 3.685 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -12.727 2.449 2.001 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.712 2.661 5.669 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.822 0.117 3.009 1.00 0.00 H new ATOM 925 N ALA A 59 -11.155 7.232 5.225 1.00 0.00 N ATOM 926 CA ALA A 59 -10.480 7.910 6.325 1.00 0.00 C ATOM 927 C ALA A 59 -11.488 8.432 7.343 1.00 0.00 C ATOM 928 O ALA A 59 -12.303 9.301 7.034 1.00 0.00 O ATOM 929 CB ALA A 59 -9.621 9.047 5.796 1.00 0.00 C ATOM 0 H ALA A 59 -11.165 7.755 4.349 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.835 7.189 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.123 9.544 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.873 8.649 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.251 9.764 5.269 1.00 0.00 H new ATOM 935 N SER A 60 -11.424 7.896 8.558 1.00 0.00 N ATOM 936 CA SER A 60 -12.331 8.308 9.625 1.00 0.00 C ATOM 937 C SER A 60 -12.001 9.722 10.102 1.00 0.00 C ATOM 938 O SER A 60 -11.693 10.600 9.294 1.00 0.00 O ATOM 939 CB SER A 60 -12.251 7.321 10.792 1.00 0.00 C ATOM 940 OG SER A 60 -11.867 6.032 10.345 1.00 0.00 O ATOM 0 H SER A 60 -10.754 7.176 8.829 1.00 0.00 H new ATOM 0 HA SER A 60 -13.348 8.310 9.232 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.534 7.682 11.529 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.219 7.263 11.290 1.00 0.00 H new ATOM 0 HG SER A 60 -11.822 5.421 11.110 1.00 0.00 H new ATOM 946 N HIS A 61 -12.067 9.941 11.413 1.00 0.00 N ATOM 947 CA HIS A 61 -11.772 11.250 11.985 1.00 0.00 C ATOM 948 C HIS A 61 -10.376 11.717 11.586 1.00 0.00 C ATOM 949 O HIS A 61 -10.071 12.909 11.632 1.00 0.00 O ATOM 950 CB HIS A 61 -11.891 11.202 13.509 1.00 0.00 C ATOM 951 CG HIS A 61 -12.616 12.377 14.090 1.00 0.00 C ATOM 952 ND1 HIS A 61 -13.984 12.404 14.267 1.00 0.00 N ATOM 953 CD2 HIS A 61 -12.156 13.570 14.536 1.00 0.00 C ATOM 954 CE1 HIS A 61 -14.334 13.565 14.794 1.00 0.00 C ATOM 955 NE2 HIS A 61 -13.244 14.289 14.968 1.00 0.00 N ATOM 0 H HIS A 61 -12.322 9.229 12.098 1.00 0.00 H new ATOM 0 HA HIS A 61 -12.498 11.962 11.593 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -12.409 10.287 13.796 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -10.892 11.151 13.942 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -11.126 13.895 14.550 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.341 13.869 15.040 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -13.214 15.230 15.360 1.00 0.00 H new ATOM 964 N THR A 62 -9.532 10.768 11.193 1.00 0.00 N ATOM 965 CA THR A 62 -8.167 11.078 10.781 1.00 0.00 C ATOM 966 C THR A 62 -8.027 10.996 9.265 1.00 0.00 C ATOM 967 O THR A 62 -8.580 10.100 8.628 1.00 0.00 O ATOM 968 CB THR A 62 -7.181 10.121 11.451 1.00 0.00 C ATOM 969 OG1 THR A 62 -7.412 8.787 11.031 1.00 0.00 O ATOM 970 CG2 THR A 62 -7.255 10.145 12.963 1.00 0.00 C ATOM 0 H THR A 62 -9.770 9.777 11.151 1.00 0.00 H new ATOM 0 HA THR A 62 -7.940 12.097 11.094 1.00 0.00 H new ATOM 0 HB THR A 62 -6.193 10.466 11.146 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.770 8.190 11.469 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.529 9.443 13.374 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.032 11.150 13.322 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.257 9.860 13.283 1.00 0.00 H new ATOM 978 N GLY A 63 -7.281 11.937 8.694 1.00 0.00 N ATOM 979 CA GLY A 63 -7.078 11.956 7.256 1.00 0.00 C ATOM 980 C GLY A 63 -6.189 10.827 6.777 1.00 0.00 C ATOM 981 O GLY A 63 -6.017 9.824 7.472 1.00 0.00 O ATOM 0 H GLY A 63 -6.813 12.688 9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.044 11.890 6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.635 12.909 6.968 1.00 0.00 H new ATOM 985 N SER A 64 -5.625 10.989 5.585 1.00 0.00 N ATOM 986 CA SER A 64 -4.750 9.976 5.008 1.00 0.00 C ATOM 987 C SER A 64 -3.492 10.610 4.415 1.00 0.00 C ATOM 988 O SER A 64 -3.459 11.809 4.140 1.00 0.00 O ATOM 989 CB SER A 64 -5.498 9.190 3.929 1.00 0.00 C ATOM 990 OG SER A 64 -5.043 9.538 2.633 1.00 0.00 O ATOM 0 H SER A 64 -5.759 11.813 4.999 1.00 0.00 H new ATOM 0 HA SER A 64 -4.446 9.296 5.804 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.358 8.121 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.567 9.387 4.007 1.00 0.00 H new ATOM 0 HG SER A 64 -5.670 10.171 2.225 1.00 0.00 H new ATOM 996 N TRP A 65 -2.465 9.790 4.209 1.00 0.00 N ATOM 997 CA TRP A 65 -1.207 10.259 3.637 1.00 0.00 C ATOM 998 C TRP A 65 -1.047 9.710 2.227 1.00 0.00 C ATOM 999 O TRP A 65 -1.247 8.521 1.991 1.00 0.00 O ATOM 1000 CB TRP A 65 -0.027 9.819 4.507 1.00 0.00 C ATOM 1001 CG TRP A 65 0.369 10.831 5.542 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.005 12.022 5.327 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.161 10.739 6.957 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.204 12.672 6.523 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.694 11.906 7.535 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.426 9.784 7.789 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.658 12.139 8.908 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.462 10.017 9.150 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.077 11.187 9.699 1.00 0.00 C ATOM 0 H TRP A 65 -2.480 8.794 4.431 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.223 11.348 3.599 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.283 8.884 5.005 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.830 9.614 3.865 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.307 12.397 4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.658 13.578 6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.845 8.878 7.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.075 13.040 9.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.914 9.284 9.802 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.033 11.340 10.767 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.698 10.581 1.292 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.530 10.177 -0.095 1.00 0.00 C ATOM 1022 C ILE A 66 0.925 10.244 -0.528 1.00 0.00 C ATOM 1023 O ILE A 66 1.764 10.809 0.169 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.382 11.037 -1.042 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.711 12.390 -1.286 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.778 11.219 -0.463 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.649 13.444 -1.828 1.00 0.00 C ATOM 0 H ILE A 66 -0.526 11.571 1.469 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.868 9.142 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.469 10.527 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.280 12.746 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.114 12.256 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.376 11.830 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.251 10.245 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.708 11.713 0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.103 14.376 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.061 13.110 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.461 13.608 -1.119 1.00 0.00 H new ATOM 1039 N GLY A 67 1.209 9.652 -1.680 1.00 0.00 N ATOM 1040 CA GLY A 67 2.560 9.639 -2.206 1.00 0.00 C ATOM 1041 C GLY A 67 2.985 10.979 -2.769 1.00 0.00 C ATOM 1042 O GLY A 67 3.394 11.068 -3.926 1.00 0.00 O ATOM 0 H GLY A 67 0.521 9.177 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.250 9.348 -1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.633 8.882 -2.987 1.00 0.00 H new ATOM 1046 N LEU A 68 2.892 12.027 -1.957 1.00 0.00 N ATOM 1047 CA LEU A 68 3.272 13.360 -2.400 1.00 0.00 C ATOM 1048 C LEU A 68 4.319 13.995 -1.491 1.00 0.00 C ATOM 1049 O LEU A 68 4.140 14.089 -0.277 1.00 0.00 O ATOM 1050 CB LEU A 68 2.048 14.271 -2.474 1.00 0.00 C ATOM 1051 CG LEU A 68 2.217 15.503 -3.365 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.138 16.525 -2.714 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.757 15.098 -4.722 1.00 0.00 C ATOM 0 H LEU A 68 2.559 11.978 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 68 3.710 13.247 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.202 13.689 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.797 14.601 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 68 1.238 15.964 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.241 17.391 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.716 16.840 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.118 16.078 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.873 15.984 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.725 14.612 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.062 14.406 -5.198 1.00 0.00 H new ATOM 1065 N ARG A 69 5.395 14.464 -2.111 1.00 0.00 N ATOM 1066 CA ARG A 69 6.475 15.139 -1.406 1.00 0.00 C ATOM 1067 C ARG A 69 6.950 16.337 -2.226 1.00 0.00 C ATOM 1068 O ARG A 69 7.372 16.180 -3.371 1.00 0.00 O ATOM 1069 CB ARG A 69 7.631 14.167 -1.149 1.00 0.00 C ATOM 1070 CG ARG A 69 8.970 14.850 -0.908 1.00 0.00 C ATOM 1071 CD ARG A 69 9.980 14.491 -1.985 1.00 0.00 C ATOM 1072 NE ARG A 69 11.335 14.894 -1.620 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.310 14.036 -1.332 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.079 12.731 -1.370 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.515 14.484 -1.009 1.00 0.00 N ATOM 0 H ARG A 69 5.542 14.386 -3.117 1.00 0.00 H new ATOM 0 HA ARG A 69 6.110 15.493 -0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.388 13.550 -0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.725 13.496 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.830 15.931 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.358 14.558 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.956 13.415 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.698 14.973 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 69 11.546 15.891 -1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.153 12.384 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.827 12.074 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.695 15.488 -0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.262 13.825 -0.788 1.00 0.00 H new ATOM 1089 N ASN A 70 6.882 17.532 -1.648 1.00 0.00 N ATOM 1090 CA ASN A 70 7.309 18.734 -2.357 1.00 0.00 C ATOM 1091 C ASN A 70 8.793 19.003 -2.130 1.00 0.00 C ATOM 1092 O ASN A 70 9.284 18.933 -1.002 1.00 0.00 O ATOM 1093 CB ASN A 70 6.472 19.942 -1.924 1.00 0.00 C ATOM 1094 CG ASN A 70 7.301 21.204 -1.768 1.00 0.00 C ATOM 1095 OD1 ASN A 70 7.962 21.405 -0.749 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.270 22.061 -2.782 1.00 0.00 N ATOM 0 H ASN A 70 6.539 17.694 -0.701 1.00 0.00 H new ATOM 0 HA ASN A 70 7.153 18.570 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.687 20.117 -2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.979 19.717 -0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.808 22.926 -2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.708 21.854 -3.608 1.00 0.00 H new ATOM 1103 N LEU A 71 9.501 19.309 -3.213 1.00 0.00 N ATOM 1104 CA LEU A 71 10.932 19.587 -3.140 1.00 0.00 C ATOM 1105 C LEU A 71 11.199 20.894 -2.400 1.00 0.00 C ATOM 1106 O LEU A 71 10.564 21.913 -2.671 1.00 0.00 O ATOM 1107 CB LEU A 71 11.531 19.652 -4.546 1.00 0.00 C ATOM 1108 CG LEU A 71 12.045 18.319 -5.091 1.00 0.00 C ATOM 1109 CD1 LEU A 71 11.436 18.029 -6.453 1.00 0.00 C ATOM 1110 CD2 LEU A 71 13.565 18.330 -5.175 1.00 0.00 C ATOM 0 H LEU A 71 9.107 19.371 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 71 11.405 18.776 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.775 20.040 -5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.354 20.367 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 71 11.744 17.527 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.813 17.076 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.351 17.979 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.706 18.823 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 71 13.915 17.374 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.887 19.132 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.983 18.492 -4.181 1.00 0.00 H new ATOM 1122 N ASP A 72 12.147 20.853 -1.467 1.00 0.00 N ATOM 1123 CA ASP A 72 12.510 22.030 -0.683 1.00 0.00 C ATOM 1124 C ASP A 72 11.295 22.602 0.044 1.00 0.00 C ATOM 1125 O ASP A 72 10.954 22.163 1.143 1.00 0.00 O ATOM 1126 CB ASP A 72 13.140 23.097 -1.582 1.00 0.00 C ATOM 1127 CG ASP A 72 14.444 22.633 -2.202 1.00 0.00 C ATOM 1128 OD1 ASP A 72 14.395 21.982 -3.267 1.00 0.00 O ATOM 1129 OD2 ASP A 72 15.512 22.921 -1.623 1.00 0.00 O ATOM 0 H ASP A 72 12.679 20.014 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 72 13.241 21.723 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.439 23.362 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.319 24.000 -0.999 1.00 0.00 H new ATOM 1134 N LEU A 73 10.643 23.583 -0.575 1.00 0.00 N ATOM 1135 CA LEU A 73 9.467 24.212 0.017 1.00 0.00 C ATOM 1136 C LEU A 73 8.666 24.968 -1.038 1.00 0.00 C ATOM 1137 O LEU A 73 7.487 24.688 -1.256 1.00 0.00 O ATOM 1138 CB LEU A 73 9.881 25.165 1.141 1.00 0.00 C ATOM 1139 CG LEU A 73 11.172 25.946 0.887 1.00 0.00 C ATOM 1140 CD1 LEU A 73 10.957 27.429 1.139 1.00 0.00 C ATOM 1141 CD2 LEU A 73 12.297 25.412 1.760 1.00 0.00 C ATOM 0 H LEU A 73 10.909 23.959 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 73 8.836 23.426 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.072 25.876 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.997 24.590 2.060 1.00 0.00 H new ATOM 0 HG LEU A 73 11.455 25.814 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.886 27.968 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.181 27.803 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.650 27.581 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.208 25.979 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.022 25.514 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.468 24.360 1.530 1.00 0.00 H new ATOM 1153 N LYS A 74 9.314 25.928 -1.691 1.00 0.00 N ATOM 1154 CA LYS A 74 8.664 26.726 -2.724 1.00 0.00 C ATOM 1155 C LYS A 74 8.786 26.055 -4.089 1.00 0.00 C ATOM 1156 O LYS A 74 8.422 26.635 -5.111 1.00 0.00 O ATOM 1157 CB LYS A 74 9.274 28.128 -2.775 1.00 0.00 C ATOM 1158 CG LYS A 74 10.785 28.129 -2.938 1.00 0.00 C ATOM 1159 CD LYS A 74 11.268 29.387 -3.641 1.00 0.00 C ATOM 1160 CE LYS A 74 12.206 29.057 -4.790 1.00 0.00 C ATOM 1161 NZ LYS A 74 13.582 29.575 -4.551 1.00 0.00 N ATOM 0 H LYS A 74 10.290 26.172 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 74 7.606 26.807 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.827 28.679 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.015 28.661 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.258 28.054 -1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.091 27.252 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.412 29.946 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.779 30.031 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.244 27.977 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.813 29.483 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.191 29.329 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.550 30.609 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.968 29.149 -3.684 1.00 0.00 H new ATOM 1174 N GLY A 75 9.301 24.829 -4.095 1.00 0.00 N ATOM 1175 CA GLY A 75 9.463 24.098 -5.338 1.00 0.00 C ATOM 1176 C GLY A 75 8.145 23.582 -5.884 1.00 0.00 C ATOM 1177 O GLY A 75 7.137 24.288 -5.860 1.00 0.00 O ATOM 0 H GLY A 75 9.609 24.329 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.931 24.746 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.139 23.259 -5.177 1.00 0.00 H new ATOM 1181 N GLU A 76 8.154 22.348 -6.377 1.00 0.00 N ATOM 1182 CA GLU A 76 6.954 21.736 -6.931 1.00 0.00 C ATOM 1183 C GLU A 76 6.688 20.379 -6.287 1.00 0.00 C ATOM 1184 O GLU A 76 7.616 19.687 -5.869 1.00 0.00 O ATOM 1185 CB GLU A 76 7.090 21.577 -8.446 1.00 0.00 C ATOM 1186 CG GLU A 76 7.350 22.885 -9.175 1.00 0.00 C ATOM 1187 CD GLU A 76 8.653 22.873 -9.948 1.00 0.00 C ATOM 1188 OE1 GLU A 76 8.681 22.298 -11.056 1.00 0.00 O ATOM 1189 OE2 GLU A 76 9.647 23.439 -9.445 1.00 0.00 O ATOM 0 H GLU A 76 8.981 21.752 -6.404 1.00 0.00 H new ATOM 0 HA GLU A 76 6.110 22.391 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.904 20.884 -8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.178 21.127 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.527 23.084 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.368 23.702 -8.453 1.00 0.00 H new ATOM 1196 N PHE A 77 5.414 20.009 -6.208 1.00 0.00 N ATOM 1197 CA PHE A 77 5.020 18.744 -5.615 1.00 0.00 C ATOM 1198 C PHE A 77 5.403 17.562 -6.501 1.00 0.00 C ATOM 1199 O PHE A 77 4.968 17.449 -7.646 1.00 0.00 O ATOM 1200 CB PHE A 77 3.511 18.724 -5.331 1.00 0.00 C ATOM 1201 CG PHE A 77 2.618 19.196 -6.462 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.135 19.580 -7.696 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.242 19.237 -6.284 1.00 0.00 C ATOM 1204 CE1 PHE A 77 2.305 19.993 -8.718 1.00 0.00 C ATOM 1205 CE2 PHE A 77 0.409 19.652 -7.308 1.00 0.00 C ATOM 1206 CZ PHE A 77 0.941 20.030 -8.524 1.00 0.00 C ATOM 0 H PHE A 77 4.636 20.573 -6.550 1.00 0.00 H new ATOM 0 HA PHE A 77 5.559 18.646 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.224 17.706 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.317 19.346 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.203 19.554 -7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.817 18.942 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.724 20.287 -9.669 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.660 19.680 -7.155 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.290 20.354 -9.322 1.00 0.00 H new ATOM 1216 N ILE A 78 6.217 16.678 -5.945 1.00 0.00 N ATOM 1217 CA ILE A 78 6.668 15.489 -6.647 1.00 0.00 C ATOM 1218 C ILE A 78 6.237 14.241 -5.889 1.00 0.00 C ATOM 1219 O ILE A 78 6.267 14.215 -4.663 1.00 0.00 O ATOM 1220 CB ILE A 78 8.202 15.493 -6.833 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.544 15.815 -8.296 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.813 14.166 -6.385 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.454 14.808 -8.974 1.00 0.00 C ATOM 0 H ILE A 78 6.582 16.765 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 78 6.209 15.487 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 78 8.636 16.268 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.616 15.885 -8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.017 16.796 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.893 14.197 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.590 14.000 -5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.392 13.353 -6.977 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.639 15.119 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.400 14.752 -8.436 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.977 13.828 -8.972 1.00 0.00 H new ATOM 1235 N TRP A 79 5.832 13.211 -6.615 1.00 0.00 N ATOM 1236 CA TRP A 79 5.391 11.977 -5.985 1.00 0.00 C ATOM 1237 C TRP A 79 6.579 11.201 -5.439 1.00 0.00 C ATOM 1238 O TRP A 79 7.681 11.269 -5.983 1.00 0.00 O ATOM 1239 CB TRP A 79 4.628 11.098 -6.984 1.00 0.00 C ATOM 1240 CG TRP A 79 3.319 11.674 -7.440 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.836 12.927 -7.196 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.327 11.011 -8.234 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.605 13.083 -7.784 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.270 11.921 -8.428 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.230 9.737 -8.799 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.134 11.596 -9.162 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.101 9.415 -9.527 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.066 10.342 -9.703 1.00 0.00 C ATOM 0 H TRP A 79 5.799 13.204 -7.634 1.00 0.00 H new ATOM 0 HA TRP A 79 4.726 12.243 -5.163 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.260 10.927 -7.856 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.444 10.125 -6.528 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.348 13.686 -6.623 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.033 13.927 -7.747 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.024 9.016 -8.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.666 12.309 -9.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.015 8.433 -9.968 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.804 10.061 -10.278 1.00 0.00 H new ATOM 1259 N VAL A 80 6.346 10.462 -4.361 1.00 0.00 N ATOM 1260 CA VAL A 80 7.392 9.660 -3.739 1.00 0.00 C ATOM 1261 C VAL A 80 7.940 8.643 -4.735 1.00 0.00 C ATOM 1262 O VAL A 80 9.073 8.177 -4.610 1.00 0.00 O ATOM 1263 CB VAL A 80 6.850 8.923 -2.497 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.471 8.364 -2.783 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.802 7.821 -2.049 1.00 0.00 C ATOM 0 H VAL A 80 5.439 10.402 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 80 8.193 10.331 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 80 6.773 9.640 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.098 7.846 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.794 9.179 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.528 7.664 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.392 7.320 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.926 7.098 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.770 8.256 -1.799 1.00 0.00 H new ATOM 1275 N ASP A 81 7.124 8.314 -5.731 1.00 0.00 N ATOM 1276 CA ASP A 81 7.515 7.359 -6.760 1.00 0.00 C ATOM 1277 C ASP A 81 8.452 8.010 -7.771 1.00 0.00 C ATOM 1278 O ASP A 81 8.983 7.347 -8.661 1.00 0.00 O ATOM 1279 CB ASP A 81 6.279 6.806 -7.471 1.00 0.00 C ATOM 1280 CG ASP A 81 6.595 5.591 -8.322 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.327 4.702 -7.838 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.110 5.528 -9.471 1.00 0.00 O ATOM 0 H ASP A 81 6.185 8.696 -5.847 1.00 0.00 H new ATOM 0 HA ASP A 81 8.042 6.536 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.525 6.541 -6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.847 7.584 -8.100 1.00 0.00 H new ATOM 1287 N GLY A 82 8.649 9.315 -7.620 1.00 0.00 N ATOM 1288 CA GLY A 82 9.521 10.046 -8.514 1.00 0.00 C ATOM 1289 C GLY A 82 8.800 10.573 -9.739 1.00 0.00 C ATOM 1290 O GLY A 82 9.385 10.655 -10.820 1.00 0.00 O ATOM 0 H GLY A 82 8.217 9.880 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.969 10.881 -7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.337 9.396 -8.830 1.00 0.00 H new ATOM 1294 N SER A 83 7.529 10.930 -9.577 1.00 0.00 N ATOM 1295 CA SER A 83 6.741 11.450 -10.690 1.00 0.00 C ATOM 1296 C SER A 83 5.989 12.720 -10.296 1.00 0.00 C ATOM 1297 O SER A 83 5.181 12.709 -9.372 1.00 0.00 O ATOM 1298 CB SER A 83 5.752 10.390 -11.179 1.00 0.00 C ATOM 1299 OG SER A 83 5.660 10.391 -12.593 1.00 0.00 O ATOM 0 H SER A 83 7.025 10.869 -8.692 1.00 0.00 H new ATOM 0 HA SER A 83 7.430 11.701 -11.497 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.068 9.406 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.769 10.579 -10.747 1.00 0.00 H new ATOM 0 HG SER A 83 5.023 9.704 -12.880 1.00 0.00 H new ATOM 1305 N HIS A 84 6.256 13.811 -11.009 1.00 0.00 N ATOM 1306 CA HIS A 84 5.601 15.085 -10.734 1.00 0.00 C ATOM 1307 C HIS A 84 4.082 14.941 -10.804 1.00 0.00 C ATOM 1308 O HIS A 84 3.557 14.166 -11.603 1.00 0.00 O ATOM 1309 CB HIS A 84 6.069 16.149 -11.727 1.00 0.00 C ATOM 1310 CG HIS A 84 5.967 15.719 -13.158 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.948 14.990 -13.797 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.992 15.920 -14.076 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.579 14.762 -15.046 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.397 15.315 -15.240 1.00 0.00 N ATOM 0 H HIS A 84 6.922 13.838 -11.781 1.00 0.00 H new ATOM 0 HA HIS A 84 5.874 15.395 -9.725 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.476 17.053 -11.585 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.104 16.409 -11.507 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.068 16.457 -13.921 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.149 14.215 -15.783 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.870 15.296 -16.113 1.00 0.00 H new ATOM 1323 N VAL A 85 3.386 15.690 -9.955 1.00 0.00 N ATOM 1324 CA VAL A 85 1.928 15.649 -9.908 1.00 0.00 C ATOM 1325 C VAL A 85 1.315 15.990 -11.261 1.00 0.00 C ATOM 1326 O VAL A 85 1.889 16.746 -12.044 1.00 0.00 O ATOM 1327 CB VAL A 85 1.389 16.610 -8.835 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.119 16.485 -8.690 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.077 16.329 -7.518 1.00 0.00 C ATOM 0 H VAL A 85 3.810 16.335 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 85 1.641 14.630 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 85 1.603 17.633 -9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.469 17.177 -7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.597 16.723 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.373 15.465 -8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.696 17.009 -6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.880 15.300 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.151 16.475 -7.630 1.00 0.00 H new ATOM 1339 N ASP A 86 0.148 15.411 -11.532 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.543 15.636 -12.795 1.00 0.00 C ATOM 1341 C ASP A 86 -1.862 16.377 -12.590 1.00 0.00 C ATOM 1342 O ASP A 86 -2.037 17.495 -13.073 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.804 14.300 -13.492 1.00 0.00 C ATOM 1344 CG ASP A 86 0.470 13.654 -13.998 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.030 14.150 -14.998 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.908 12.652 -13.395 1.00 0.00 O ATOM 0 H ASP A 86 -0.338 14.782 -10.892 1.00 0.00 H new ATOM 0 HA ASP A 86 0.099 16.257 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.301 13.622 -12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.486 14.456 -14.328 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.794 15.738 -11.889 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.104 16.333 -11.644 1.00 0.00 C ATOM 1353 C TYR A 87 -4.143 17.108 -10.331 1.00 0.00 C ATOM 1354 O TYR A 87 -4.637 18.234 -10.282 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.186 15.248 -11.632 1.00 0.00 C ATOM 1356 CG TYR A 87 -6.088 15.277 -12.846 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -6.943 16.348 -13.076 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.086 14.232 -13.760 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -7.768 16.377 -14.183 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.909 14.253 -14.871 1.00 0.00 C ATOM 1361 CZ TYR A 87 -7.747 15.328 -15.077 1.00 0.00 C ATOM 1362 OH TYR A 87 -8.568 15.353 -16.181 1.00 0.00 O ATOM 0 H TYR A 87 -2.667 14.811 -11.482 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.296 17.036 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.708 14.271 -11.569 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.794 15.364 -10.735 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.963 17.171 -12.377 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.431 13.388 -13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.426 17.217 -14.347 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.895 13.432 -15.573 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.430 14.539 -16.710 1.00 0.00 H new ATOM 1372 N SER A 88 -3.640 16.488 -9.269 1.00 0.00 N ATOM 1373 CA SER A 88 -3.639 17.102 -7.942 1.00 0.00 C ATOM 1374 C SER A 88 -5.066 17.403 -7.502 1.00 0.00 C ATOM 1375 O SER A 88 -5.990 17.409 -8.315 1.00 0.00 O ATOM 1376 CB SER A 88 -2.796 18.383 -7.915 1.00 0.00 C ATOM 1377 OG SER A 88 -2.179 18.623 -9.168 1.00 0.00 O ATOM 0 H SER A 88 -3.226 15.557 -9.300 1.00 0.00 H new ATOM 0 HA SER A 88 -3.190 16.393 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.428 19.231 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.032 18.302 -7.141 1.00 0.00 H new ATOM 0 HG SER A 88 -1.284 18.996 -9.026 1.00 0.00 H new ATOM 1383 N ASN A 89 -5.250 17.633 -6.211 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.579 17.912 -5.683 1.00 0.00 C ATOM 1385 C ASN A 89 -6.631 19.268 -4.977 1.00 0.00 C ATOM 1386 O ASN A 89 -7.658 19.941 -5.021 1.00 0.00 O ATOM 1387 CB ASN A 89 -7.010 16.778 -4.752 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.701 15.664 -5.509 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -8.316 15.894 -6.550 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.604 14.448 -4.991 1.00 0.00 N ATOM 0 H ASN A 89 -4.505 17.633 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.280 17.967 -6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.137 16.380 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.681 17.170 -3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.049 13.658 -5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.084 14.302 -4.126 1.00 0.00 H new ATOM 1397 N TRP A 90 -5.513 19.663 -4.357 1.00 0.00 N ATOM 1398 CA TRP A 90 -5.400 20.951 -3.656 1.00 0.00 C ATOM 1399 C TRP A 90 -6.753 21.483 -3.178 1.00 0.00 C ATOM 1400 O TRP A 90 -7.509 22.062 -3.959 1.00 0.00 O ATOM 1401 CB TRP A 90 -4.754 21.989 -4.578 1.00 0.00 C ATOM 1402 CG TRP A 90 -3.311 21.721 -4.892 1.00 0.00 C ATOM 1403 CD1 TRP A 90 -2.680 20.511 -4.910 1.00 0.00 C ATOM 1404 CD2 TRP A 90 -2.319 22.694 -5.245 1.00 0.00 C ATOM 1405 NE1 TRP A 90 -1.366 20.669 -5.252 1.00 0.00 N ATOM 1406 CE2 TRP A 90 -1.115 21.998 -5.463 1.00 0.00 C ATOM 1407 CE3 TRP A 90 -2.330 24.083 -5.398 1.00 0.00 C ATOM 1408 CZ2 TRP A 90 0.064 22.642 -5.827 1.00 0.00 C ATOM 1409 CZ3 TRP A 90 -1.159 24.723 -5.759 1.00 0.00 C ATOM 1410 CH2 TRP A 90 0.024 24.002 -5.971 1.00 0.00 C ATOM 0 H TRP A 90 -4.662 19.102 -4.326 1.00 0.00 H new ATOM 0 HA TRP A 90 -4.781 20.779 -2.776 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -5.316 22.029 -5.511 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -4.837 22.972 -4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -3.151 19.565 -4.686 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -0.682 19.917 -5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.237 24.646 -5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 0.977 22.088 -5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -1.156 25.796 -5.880 1.00 0.00 H new ATOM 0 HH2 TRP A 90 0.922 24.531 -6.254 1.00 0.00 H new ATOM 1421 N ALA A 91 -7.043 21.296 -1.892 1.00 0.00 N ATOM 1422 CA ALA A 91 -8.300 21.765 -1.306 1.00 0.00 C ATOM 1423 C ALA A 91 -8.705 23.129 -1.864 1.00 0.00 C ATOM 1424 O ALA A 91 -8.054 24.138 -1.592 1.00 0.00 O ATOM 1425 CB ALA A 91 -8.186 21.836 0.207 1.00 0.00 C ATOM 0 H ALA A 91 -6.424 20.822 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.075 21.047 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.129 22.186 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.959 20.846 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.388 22.527 0.480 1.00 0.00 H new ATOM 1431 N PRO A 92 -9.790 23.175 -2.656 1.00 0.00 N ATOM 1432 CA PRO A 92 -10.285 24.415 -3.258 1.00 0.00 C ATOM 1433 C PRO A 92 -10.952 25.326 -2.234 1.00 0.00 C ATOM 1434 O PRO A 92 -11.144 26.517 -2.479 1.00 0.00 O ATOM 1435 CB PRO A 92 -11.315 23.937 -4.297 1.00 0.00 C ATOM 1436 CG PRO A 92 -11.163 22.451 -4.367 1.00 0.00 C ATOM 1437 CD PRO A 92 -10.619 22.027 -3.036 1.00 0.00 C ATOM 0 HA PRO A 92 -9.475 25.004 -3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.327 24.213 -4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.132 24.395 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.120 21.970 -4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.487 22.166 -5.173 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.413 21.842 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.034 21.110 -3.109 1.00 0.00 H new ATOM 1445 N GLY A 93 -11.307 24.756 -1.086 1.00 0.00 N ATOM 1446 CA GLY A 93 -11.952 25.530 -0.041 1.00 0.00 C ATOM 1447 C GLY A 93 -10.956 26.206 0.881 1.00 0.00 C ATOM 1448 O GLY A 93 -11.248 26.443 2.053 1.00 0.00 O ATOM 0 H GLY A 93 -11.159 23.772 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.592 26.286 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.598 24.876 0.545 1.00 0.00 H new ATOM 1452 N GLU A 94 -9.778 26.519 0.351 1.00 0.00 N ATOM 1453 CA GLU A 94 -8.736 27.173 1.135 1.00 0.00 C ATOM 1454 C GLU A 94 -8.045 28.265 0.319 1.00 0.00 C ATOM 1455 O GLU A 94 -6.869 28.144 -0.025 1.00 0.00 O ATOM 1456 CB GLU A 94 -7.708 26.146 1.612 1.00 0.00 C ATOM 1457 CG GLU A 94 -7.972 25.630 3.018 1.00 0.00 C ATOM 1458 CD GLU A 94 -6.918 26.077 4.011 1.00 0.00 C ATOM 1459 OE1 GLU A 94 -6.663 27.296 4.098 1.00 0.00 O ATOM 1460 OE2 GLU A 94 -6.346 25.207 4.702 1.00 0.00 O ATOM 0 H GLU A 94 -9.521 26.330 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.205 27.636 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.700 25.304 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.715 26.595 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.950 25.978 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.010 24.541 3.000 1.00 0.00 H new ATOM 1467 N PRO A 95 -8.771 29.353 -0.001 1.00 0.00 N ATOM 1468 CA PRO A 95 -8.221 30.466 -0.779 1.00 0.00 C ATOM 1469 C PRO A 95 -7.287 31.345 0.048 1.00 0.00 C ATOM 1470 O PRO A 95 -6.583 32.198 -0.492 1.00 0.00 O ATOM 1471 CB PRO A 95 -9.465 31.249 -1.192 1.00 0.00 C ATOM 1472 CG PRO A 95 -10.452 30.984 -0.110 1.00 0.00 C ATOM 1473 CD PRO A 95 -10.181 29.581 0.369 1.00 0.00 C ATOM 0 HA PRO A 95 -7.616 30.122 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.251 32.314 -1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.839 30.917 -2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.341 31.702 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.472 31.079 -0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.333 29.488 1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.843 28.859 -0.110 1.00 0.00 H new ATOM 1481 N THR A 96 -7.289 31.131 1.360 1.00 0.00 N ATOM 1482 CA THR A 96 -6.444 31.903 2.263 1.00 0.00 C ATOM 1483 C THR A 96 -4.967 31.644 1.982 1.00 0.00 C ATOM 1484 O THR A 96 -4.561 30.507 1.743 1.00 0.00 O ATOM 1485 CB THR A 96 -6.767 31.557 3.717 1.00 0.00 C ATOM 1486 OG1 THR A 96 -6.692 30.158 3.928 1.00 0.00 O ATOM 1487 CG2 THR A 96 -8.143 32.014 4.150 1.00 0.00 C ATOM 0 H THR A 96 -7.867 30.429 1.821 1.00 0.00 H new ATOM 0 HA THR A 96 -6.647 32.961 2.095 1.00 0.00 H new ATOM 0 HB THR A 96 -6.023 32.087 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.900 29.957 4.864 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.307 31.737 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.216 33.097 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.898 31.538 3.524 1.00 0.00 H new ATOM 1495 N SER A 97 -4.170 32.710 2.015 1.00 0.00 N ATOM 1496 CA SER A 97 -2.735 32.606 1.765 1.00 0.00 C ATOM 1497 C SER A 97 -2.460 31.986 0.398 1.00 0.00 C ATOM 1498 O SER A 97 -3.362 31.861 -0.431 1.00 0.00 O ATOM 1499 CB SER A 97 -2.064 31.773 2.860 1.00 0.00 C ATOM 1500 OG SER A 97 -2.572 32.108 4.140 1.00 0.00 O ATOM 0 H SER A 97 -4.495 33.657 2.213 1.00 0.00 H new ATOM 0 HA SER A 97 -2.318 33.613 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.228 30.713 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.987 31.938 2.838 1.00 0.00 H new ATOM 0 HG SER A 97 -2.128 31.561 4.821 1.00 0.00 H new ATOM 1506 N ARG A 98 -1.209 31.602 0.168 1.00 0.00 N ATOM 1507 CA ARG A 98 -0.813 30.997 -1.098 1.00 0.00 C ATOM 1508 C ARG A 98 0.389 30.078 -0.911 1.00 0.00 C ATOM 1509 O ARG A 98 0.533 29.077 -1.614 1.00 0.00 O ATOM 1510 CB ARG A 98 -0.485 32.082 -2.126 1.00 0.00 C ATOM 1511 CG ARG A 98 -1.602 32.331 -3.125 1.00 0.00 C ATOM 1512 CD ARG A 98 -1.418 33.655 -3.849 1.00 0.00 C ATOM 1513 NE ARG A 98 -1.737 33.552 -5.270 1.00 0.00 N ATOM 1514 CZ ARG A 98 -2.413 34.480 -5.944 1.00 0.00 C ATOM 1515 NH1 ARG A 98 -2.837 35.574 -5.327 1.00 0.00 N ATOM 1516 NH2 ARG A 98 -2.663 34.312 -7.235 1.00 0.00 N ATOM 0 H ARG A 98 -0.451 31.699 0.843 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.649 30.401 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.263 33.012 -1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.418 31.798 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.629 31.519 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.561 32.328 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.054 34.411 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.388 33.991 -3.732 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.424 32.723 -5.775 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.645 35.706 -4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.355 36.284 -5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.337 33.471 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.181 35.023 -7.751 1.00 0.00 H new ATOM 1530 N SER A 99 1.250 30.425 0.041 1.00 0.00 N ATOM 1531 CA SER A 99 2.441 29.631 0.322 1.00 0.00 C ATOM 1532 C SER A 99 2.910 29.843 1.758 1.00 0.00 C ATOM 1533 O SER A 99 3.303 30.946 2.136 1.00 0.00 O ATOM 1534 CB SER A 99 3.563 29.994 -0.652 1.00 0.00 C ATOM 1535 OG SER A 99 4.786 29.386 -0.272 1.00 0.00 O ATOM 0 H SER A 99 1.145 31.251 0.631 1.00 0.00 H new ATOM 0 HA SER A 99 2.184 28.579 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.292 29.675 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.686 31.077 -0.683 1.00 0.00 H new ATOM 0 HG SER A 99 5.486 29.633 -0.911 1.00 0.00 H new ATOM 1541 N GLN A 100 2.864 28.778 2.552 1.00 0.00 N ATOM 1542 CA GLN A 100 3.284 28.847 3.948 1.00 0.00 C ATOM 1543 C GLN A 100 4.359 27.807 4.244 1.00 0.00 C ATOM 1544 O GLN A 100 4.643 27.504 5.403 1.00 0.00 O ATOM 1545 CB GLN A 100 2.085 28.635 4.874 1.00 0.00 C ATOM 1546 CG GLN A 100 1.258 27.406 4.530 1.00 0.00 C ATOM 1547 CD GLN A 100 0.373 26.959 5.677 1.00 0.00 C ATOM 1548 OE1 GLN A 100 0.426 25.807 6.104 1.00 0.00 O ATOM 1549 NE2 GLN A 100 -0.447 27.874 6.183 1.00 0.00 N ATOM 0 H GLN A 100 2.541 27.858 2.254 1.00 0.00 H new ATOM 0 HA GLN A 100 3.702 29.837 4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.441 28.547 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.445 29.516 4.833 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.638 27.622 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.925 26.590 4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.458 28.818 5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.066 27.632 6.957 1.00 0.00 H new ATOM 1558 N GLY A 101 4.956 27.263 3.187 1.00 0.00 N ATOM 1559 CA GLY A 101 5.995 26.263 3.353 1.00 0.00 C ATOM 1560 C GLY A 101 5.948 25.194 2.279 1.00 0.00 C ATOM 1561 O GLY A 101 6.779 25.186 1.370 1.00 0.00 O ATOM 0 H GLY A 101 4.738 27.497 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.970 26.750 3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.891 25.795 4.332 1.00 0.00 H new ATOM 1565 N GLU A 102 4.972 24.295 2.386 1.00 0.00 N ATOM 1566 CA GLU A 102 4.806 23.209 1.422 1.00 0.00 C ATOM 1567 C GLU A 102 5.972 22.226 1.488 1.00 0.00 C ATOM 1568 O GLU A 102 7.137 22.624 1.458 1.00 0.00 O ATOM 1569 CB GLU A 102 4.671 23.766 0.001 1.00 0.00 C ATOM 1570 CG GLU A 102 3.280 24.289 -0.317 1.00 0.00 C ATOM 1571 CD GLU A 102 3.306 25.486 -1.248 1.00 0.00 C ATOM 1572 OE1 GLU A 102 3.608 25.300 -2.445 1.00 0.00 O ATOM 1573 OE2 GLU A 102 3.025 26.608 -0.779 1.00 0.00 O ATOM 0 H GLU A 102 4.280 24.298 3.135 1.00 0.00 H new ATOM 0 HA GLU A 102 3.893 22.674 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 102 5.393 24.571 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.928 22.984 -0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.691 23.492 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.779 24.566 0.611 1.00 0.00 H new ATOM 1580 N ASP A 103 5.647 20.941 1.577 1.00 0.00 N ATOM 1581 CA ASP A 103 6.659 19.892 1.647 1.00 0.00 C ATOM 1582 C ASP A 103 6.021 18.517 1.470 1.00 0.00 C ATOM 1583 O ASP A 103 6.713 17.521 1.262 1.00 0.00 O ATOM 1584 CB ASP A 103 7.401 19.955 2.983 1.00 0.00 C ATOM 1585 CG ASP A 103 8.565 18.985 3.044 1.00 0.00 C ATOM 1586 OD1 ASP A 103 9.539 19.178 2.286 1.00 0.00 O ATOM 1587 OD2 ASP A 103 8.503 18.033 3.849 1.00 0.00 O ATOM 0 H ASP A 103 4.686 20.599 1.602 1.00 0.00 H new ATOM 0 HA ASP A 103 7.373 20.053 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.768 20.969 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.705 19.735 3.793 1.00 0.00 H new ATOM 1592 N CYS A 104 4.696 18.477 1.555 1.00 0.00 N ATOM 1593 CA CYS A 104 3.950 17.233 1.405 1.00 0.00 C ATOM 1594 C CYS A 104 2.454 17.515 1.334 1.00 0.00 C ATOM 1595 O CYS A 104 1.996 18.590 1.722 1.00 0.00 O ATOM 1596 CB CYS A 104 4.247 16.287 2.571 1.00 0.00 C ATOM 1597 SG CYS A 104 4.118 17.067 4.213 1.00 0.00 S ATOM 0 H CYS A 104 4.114 19.296 1.728 1.00 0.00 H new ATOM 0 HA CYS A 104 4.263 16.756 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.557 15.444 2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.252 15.883 2.450 1.00 0.00 H new ATOM 1602 N VAL A 105 1.694 16.550 0.833 1.00 0.00 N ATOM 1603 CA VAL A 105 0.255 16.710 0.714 1.00 0.00 C ATOM 1604 C VAL A 105 -0.493 15.719 1.597 1.00 0.00 C ATOM 1605 O VAL A 105 -0.187 14.526 1.616 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.210 16.544 -0.743 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.726 16.535 -0.828 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.355 17.656 -1.604 1.00 0.00 C ATOM 0 H VAL A 105 2.050 15.653 0.504 1.00 0.00 H new ATOM 0 HA VAL A 105 0.025 17.722 1.047 1.00 0.00 H new ATOM 0 HB VAL A 105 0.160 15.588 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.031 16.417 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.119 15.707 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.118 17.475 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.018 17.527 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.010 18.619 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.444 17.623 -1.572 1.00 0.00 H new ATOM 1618 N MET A 106 -1.482 16.230 2.318 1.00 0.00 N ATOM 1619 CA MET A 106 -2.297 15.413 3.203 1.00 0.00 C ATOM 1620 C MET A 106 -3.751 15.452 2.752 1.00 0.00 C ATOM 1621 O MET A 106 -4.125 16.271 1.918 1.00 0.00 O ATOM 1622 CB MET A 106 -2.175 15.902 4.648 1.00 0.00 C ATOM 1623 CG MET A 106 -2.996 17.148 4.944 1.00 0.00 C ATOM 1624 SD MET A 106 -4.490 16.787 5.887 1.00 0.00 S ATOM 1625 CE MET A 106 -5.227 18.415 5.993 1.00 0.00 C ATOM 0 H MET A 106 -1.740 17.217 2.305 1.00 0.00 H new ATOM 0 HA MET A 106 -1.940 14.384 3.158 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.488 15.103 5.320 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.127 16.108 4.865 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.384 17.859 5.499 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.271 17.629 4.005 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.409 18.665 7.038 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.550 19.150 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 106 -6.171 18.423 5.448 1.00 0.00 H new ATOM 1635 N MET A 107 -4.566 14.567 3.300 1.00 0.00 N ATOM 1636 CA MET A 107 -5.977 14.515 2.939 1.00 0.00 C ATOM 1637 C MET A 107 -6.845 14.658 4.182 1.00 0.00 C ATOM 1638 O MET A 107 -6.640 13.961 5.174 1.00 0.00 O ATOM 1639 CB MET A 107 -6.290 13.197 2.223 1.00 0.00 C ATOM 1640 CG MET A 107 -7.730 12.740 2.377 1.00 0.00 C ATOM 1641 SD MET A 107 -7.979 11.680 3.814 1.00 0.00 S ATOM 1642 CE MET A 107 -9.491 12.370 4.484 1.00 0.00 C ATOM 0 H MET A 107 -4.279 13.876 3.994 1.00 0.00 H new ATOM 0 HA MET A 107 -6.196 15.342 2.264 1.00 0.00 H new ATOM 0 HB2 MET A 107 -6.066 13.309 1.162 1.00 0.00 H new ATOM 0 HB3 MET A 107 -5.629 12.420 2.608 1.00 0.00 H new ATOM 0 HG2 MET A 107 -8.376 13.614 2.460 1.00 0.00 H new ATOM 0 HG3 MET A 107 -8.034 12.203 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 107 -9.334 12.646 5.527 1.00 0.00 H new ATOM 0 HE2 MET A 107 -9.772 13.255 3.913 1.00 0.00 H new ATOM 0 HE3 MET A 107 -10.288 11.629 4.421 1.00 0.00 H new ATOM 1652 N ARG A 108 -7.817 15.568 4.117 1.00 0.00 N ATOM 1653 CA ARG A 108 -8.723 15.809 5.240 1.00 0.00 C ATOM 1654 C ARG A 108 -9.658 16.979 4.951 1.00 0.00 C ATOM 1655 O ARG A 108 -9.780 17.422 3.808 1.00 0.00 O ATOM 1656 CB ARG A 108 -7.930 16.092 6.519 1.00 0.00 C ATOM 1657 CG ARG A 108 -8.445 15.336 7.734 1.00 0.00 C ATOM 1658 CD ARG A 108 -7.409 15.300 8.846 1.00 0.00 C ATOM 1659 NE ARG A 108 -7.708 16.263 9.903 1.00 0.00 N ATOM 1660 CZ ARG A 108 -7.032 17.393 10.085 1.00 0.00 C ATOM 1661 NH1 ARG A 108 -6.021 17.701 9.284 1.00 0.00 N ATOM 1662 NH2 ARG A 108 -7.367 18.217 11.069 1.00 0.00 N ATOM 0 H ARG A 108 -7.997 16.150 3.299 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.322 14.909 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.885 15.830 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.961 17.162 6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.356 15.809 8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.708 14.318 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.367 14.297 9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -6.424 15.512 8.431 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.479 16.057 10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.760 17.070 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.504 18.569 9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.144 17.984 11.687 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.847 19.084 11.208 1.00 0.00 H new ATOM 1676 N GLY A 109 -10.311 17.478 5.998 1.00 0.00 N ATOM 1677 CA GLY A 109 -11.224 18.595 5.845 1.00 0.00 C ATOM 1678 C GLY A 109 -12.442 18.246 5.015 1.00 0.00 C ATOM 1679 O GLY A 109 -13.324 17.515 5.468 1.00 0.00 O ATOM 0 H GLY A 109 -10.223 17.126 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.546 18.933 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -10.698 19.428 5.378 1.00 0.00 H new ATOM 1683 N SER A 110 -12.492 18.774 3.797 1.00 0.00 N ATOM 1684 CA SER A 110 -13.610 18.523 2.895 1.00 0.00 C ATOM 1685 C SER A 110 -13.420 17.211 2.142 1.00 0.00 C ATOM 1686 O SER A 110 -13.870 17.067 1.004 1.00 0.00 O ATOM 1687 CB SER A 110 -13.748 19.671 1.898 1.00 0.00 C ATOM 1688 OG SER A 110 -13.785 20.923 2.563 1.00 0.00 O ATOM 0 H SER A 110 -11.769 19.381 3.411 1.00 0.00 H new ATOM 0 HA SER A 110 -14.518 18.451 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.912 19.652 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 110 -14.657 19.540 1.312 1.00 0.00 H new ATOM 0 HG SER A 110 -13.872 21.642 1.903 1.00 0.00 H new ATOM 1694 N GLY A 111 -12.747 16.259 2.778 1.00 0.00 N ATOM 1695 CA GLY A 111 -12.508 14.978 2.146 1.00 0.00 C ATOM 1696 C GLY A 111 -11.681 15.110 0.882 1.00 0.00 C ATOM 1697 O GLY A 111 -11.890 14.381 -0.086 1.00 0.00 O ATOM 0 H GLY A 111 -12.364 16.352 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.995 14.319 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.462 14.509 1.907 1.00 0.00 H new ATOM 1701 N ARG A 112 -10.744 16.050 0.890 1.00 0.00 N ATOM 1702 CA ARG A 112 -9.888 16.279 -0.264 1.00 0.00 C ATOM 1703 C ARG A 112 -8.412 16.290 0.132 1.00 0.00 C ATOM 1704 O ARG A 112 -8.007 15.621 1.081 1.00 0.00 O ATOM 1705 CB ARG A 112 -10.261 17.601 -0.945 1.00 0.00 C ATOM 1706 CG ARG A 112 -11.039 18.554 -0.049 1.00 0.00 C ATOM 1707 CD ARG A 112 -10.170 19.108 1.068 1.00 0.00 C ATOM 1708 NE ARG A 112 -10.680 20.375 1.581 1.00 0.00 N ATOM 1709 CZ ARG A 112 -10.258 20.938 2.710 1.00 0.00 C ATOM 1710 NH1 ARG A 112 -9.324 20.347 3.441 1.00 0.00 N ATOM 1711 NH2 ARG A 112 -10.770 22.095 3.107 1.00 0.00 N ATOM 0 H ARG A 112 -10.559 16.665 1.683 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.043 15.458 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.350 18.096 -1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.854 17.387 -1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -11.432 19.376 -0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.895 18.034 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.118 18.383 1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.153 19.249 0.701 1.00 0.00 H new ATOM 0 HE ARG A 112 -11.401 20.856 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -8.926 19.458 3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -9.003 20.781 4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.488 22.554 2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -10.446 22.526 3.973 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.618 17.047 -0.616 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.186 17.157 -0.380 1.00 0.00 C ATOM 1727 C TRP A 113 -5.813 18.497 0.213 1.00 0.00 C ATOM 1728 O TRP A 113 -6.536 19.482 0.079 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.406 17.057 -1.685 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.313 15.698 -2.274 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.149 14.645 -2.077 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.318 15.266 -3.197 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.735 13.578 -2.831 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.604 13.932 -3.525 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.209 15.888 -3.776 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.818 13.201 -4.413 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.428 15.164 -4.658 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.735 13.831 -4.969 1.00 0.00 C ATOM 0 H TRP A 113 -7.951 17.602 -1.404 1.00 0.00 H new ATOM 0 HA TRP A 113 -5.940 16.344 0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.869 17.719 -2.416 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.396 17.429 -1.513 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -7.010 14.648 -1.425 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.193 12.668 -2.870 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.967 16.914 -3.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.053 12.175 -4.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.568 15.632 -5.114 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.106 13.290 -5.660 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.636 18.526 0.798 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.079 19.737 1.344 1.00 0.00 C ATOM 1751 C ASN A 114 -2.594 19.767 1.013 1.00 0.00 C ATOM 1752 O ASN A 114 -1.851 18.858 1.376 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.294 19.806 2.856 1.00 0.00 C ATOM 1754 CG ASN A 114 -5.697 20.251 3.220 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.628 19.446 3.250 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -5.856 21.540 3.498 1.00 0.00 N ATOM 0 H ASN A 114 -4.039 17.706 0.907 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.579 20.601 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.102 18.826 3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -3.572 20.497 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -6.778 21.898 3.749 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.056 22.172 3.461 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.173 20.805 0.315 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.781 20.942 -0.077 1.00 0.00 C ATOM 1765 C ASP A 115 -0.067 21.941 0.830 1.00 0.00 C ATOM 1766 O ASP A 115 -0.133 23.151 0.613 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.694 21.379 -1.544 1.00 0.00 C ATOM 1768 CG ASP A 115 0.631 21.008 -2.180 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.684 21.367 -1.610 1.00 0.00 O ATOM 1770 OD2 ASP A 115 0.617 20.362 -3.248 1.00 0.00 O ATOM 0 H ASP A 115 -2.776 21.568 0.007 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.286 19.977 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.506 20.918 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.835 22.458 -1.608 1.00 0.00 H new ATOM 1775 N ALA A 116 0.603 21.422 1.859 1.00 0.00 N ATOM 1776 CA ALA A 116 1.312 22.259 2.811 1.00 0.00 C ATOM 1777 C ALA A 116 2.422 21.483 3.511 1.00 0.00 C ATOM 1778 O ALA A 116 2.426 20.253 3.510 1.00 0.00 O ATOM 1779 CB ALA A 116 0.340 22.826 3.832 1.00 0.00 C ATOM 0 H ALA A 116 0.666 20.422 2.050 1.00 0.00 H new ATOM 0 HA ALA A 116 1.773 23.080 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.881 23.452 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -0.415 23.425 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.145 22.009 4.366 1.00 0.00 H new ATOM 1785 N PHE A 117 3.358 22.214 4.108 1.00 0.00 N ATOM 1786 CA PHE A 117 4.482 21.609 4.821 1.00 0.00 C ATOM 1787 C PHE A 117 4.023 20.452 5.706 1.00 0.00 C ATOM 1788 O PHE A 117 2.848 20.358 6.061 1.00 0.00 O ATOM 1789 CB PHE A 117 5.193 22.660 5.677 1.00 0.00 C ATOM 1790 CG PHE A 117 6.690 22.584 5.601 1.00 0.00 C ATOM 1791 CD1 PHE A 117 7.371 23.131 4.527 1.00 0.00 C ATOM 1792 CD2 PHE A 117 7.418 21.967 6.606 1.00 0.00 C ATOM 1793 CE1 PHE A 117 8.750 23.063 4.454 1.00 0.00 C ATOM 1794 CE2 PHE A 117 8.796 21.896 6.541 1.00 0.00 C ATOM 1795 CZ PHE A 117 9.463 22.445 5.462 1.00 0.00 C ATOM 0 H PHE A 117 3.361 23.234 4.113 1.00 0.00 H new ATOM 0 HA PHE A 117 5.174 21.217 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 117 4.871 23.652 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.884 22.541 6.715 1.00 0.00 H new ATOM 0 HD1 PHE A 117 6.818 23.617 3.736 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.901 21.536 7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 117 9.269 23.493 3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 117 9.351 21.413 7.331 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.540 22.391 5.407 1.00 0.00 H new ATOM 1805 N CYS A 118 4.959 19.576 6.056 1.00 0.00 N ATOM 1806 CA CYS A 118 4.655 18.424 6.897 1.00 0.00 C ATOM 1807 C CYS A 118 4.507 18.834 8.360 1.00 0.00 C ATOM 1808 O CYS A 118 5.319 18.459 9.207 1.00 0.00 O ATOM 1809 CB CYS A 118 5.748 17.363 6.758 1.00 0.00 C ATOM 1810 SG CYS A 118 5.917 16.687 5.074 1.00 0.00 S ATOM 0 H CYS A 118 5.936 19.642 5.770 1.00 0.00 H new ATOM 0 HA CYS A 118 3.706 18.005 6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 118 6.701 17.796 7.062 1.00 0.00 H new ATOM 0 HB3 CYS A 118 5.536 16.545 7.447 1.00 0.00 H new ATOM 1815 N ASP A 119 3.462 19.601 8.649 1.00 0.00 N ATOM 1816 CA ASP A 119 3.198 20.059 10.008 1.00 0.00 C ATOM 1817 C ASP A 119 1.725 19.881 10.357 1.00 0.00 C ATOM 1818 O ASP A 119 1.181 20.599 11.197 1.00 0.00 O ATOM 1819 CB ASP A 119 3.597 21.529 10.160 1.00 0.00 C ATOM 1820 CG ASP A 119 3.920 21.894 11.596 1.00 0.00 C ATOM 1821 OD1 ASP A 119 5.046 21.597 12.046 1.00 0.00 O ATOM 1822 OD2 ASP A 119 3.046 22.478 12.271 1.00 0.00 O ATOM 0 H ASP A 119 2.782 19.919 7.958 1.00 0.00 H new ATOM 0 HA ASP A 119 3.794 19.457 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 119 4.464 21.734 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 119 2.786 22.162 9.801 1.00 0.00 H new ATOM 1827 N ARG A 120 1.083 18.918 9.702 1.00 0.00 N ATOM 1828 CA ARG A 120 -0.330 18.640 9.933 1.00 0.00 C ATOM 1829 C ARG A 120 -0.532 17.897 11.255 1.00 0.00 C ATOM 1830 O ARG A 120 0.135 18.190 12.246 1.00 0.00 O ATOM 1831 CB ARG A 120 -0.903 17.830 8.768 1.00 0.00 C ATOM 1832 CG ARG A 120 -2.336 18.201 8.418 1.00 0.00 C ATOM 1833 CD ARG A 120 -2.409 19.565 7.750 1.00 0.00 C ATOM 1834 NE ARG A 120 -3.613 20.298 8.136 1.00 0.00 N ATOM 1835 CZ ARG A 120 -3.695 21.065 9.218 1.00 0.00 C ATOM 1836 NH1 ARG A 120 -2.648 21.201 10.021 1.00 0.00 N ATOM 1837 NH2 ARG A 120 -4.825 21.699 9.499 1.00 0.00 N ATOM 0 H ARG A 120 1.521 18.316 9.005 1.00 0.00 H new ATOM 0 HA ARG A 120 -0.862 19.589 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -0.274 17.976 7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.861 16.770 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.757 17.446 7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -2.944 18.204 9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -1.528 20.148 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -2.392 19.440 6.667 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.437 20.216 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -1.776 20.716 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -2.715 21.791 10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -5.633 21.598 8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.887 22.287 10.330 1.00 0.00 H new ATOM 1851 N LYS A 121 -1.458 16.936 11.266 1.00 0.00 N ATOM 1852 CA LYS A 121 -1.745 16.160 12.466 1.00 0.00 C ATOM 1853 C LYS A 121 -2.753 15.060 12.161 1.00 0.00 C ATOM 1854 O LYS A 121 -3.844 15.024 12.730 1.00 0.00 O ATOM 1855 CB LYS A 121 -2.283 17.069 13.575 1.00 0.00 C ATOM 1856 CG LYS A 121 -1.810 16.677 14.965 1.00 0.00 C ATOM 1857 CD LYS A 121 -1.033 17.803 15.627 1.00 0.00 C ATOM 1858 CE LYS A 121 0.073 17.264 16.521 1.00 0.00 C ATOM 1859 NZ LYS A 121 0.273 18.111 17.729 1.00 0.00 N ATOM 0 H LYS A 121 -2.020 16.679 10.455 1.00 0.00 H new ATOM 0 HA LYS A 121 -0.817 15.701 12.807 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -1.978 18.095 13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -3.373 17.050 13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.669 16.414 15.582 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -1.181 15.789 14.900 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -0.602 18.449 14.862 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.713 18.418 16.217 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.171 16.247 16.827 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.004 17.212 15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.035 17.710 18.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.531 19.076 17.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.607 18.140 18.282 1.00 0.00 H new ATOM 1872 N LEU A 122 -2.380 14.167 11.252 1.00 0.00 N ATOM 1873 CA LEU A 122 -3.246 13.066 10.860 1.00 0.00 C ATOM 1874 C LEU A 122 -3.094 11.889 11.817 1.00 0.00 C ATOM 1875 O LEU A 122 -2.499 12.024 12.887 1.00 0.00 O ATOM 1876 CB LEU A 122 -2.913 12.632 9.433 1.00 0.00 C ATOM 1877 CG LEU A 122 -3.519 13.501 8.333 1.00 0.00 C ATOM 1878 CD1 LEU A 122 -2.705 14.772 8.158 1.00 0.00 C ATOM 1879 CD2 LEU A 122 -3.589 12.731 7.026 1.00 0.00 C ATOM 0 H LEU A 122 -1.480 14.186 10.772 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.281 13.405 10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.829 12.627 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.254 11.606 9.293 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.533 13.775 8.625 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -3.148 15.382 7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.700 15.333 9.093 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.682 14.514 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.023 13.365 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.585 12.430 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.209 11.844 7.159 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.637 10.736 11.435 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.545 9.564 12.287 1.00 0.00 C ATOM 1893 C GLY A 123 -3.737 8.261 11.533 1.00 0.00 C ATOM 1894 O GLY A 123 -3.858 7.201 12.147 1.00 0.00 O ATOM 0 H GLY A 123 -4.136 10.593 10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -2.571 9.553 12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.296 9.635 13.074 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.761 8.330 10.205 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.937 7.135 9.391 1.00 0.00 C ATOM 1900 C ALA A 124 -2.896 7.070 8.280 1.00 0.00 C ATOM 1901 O ALA A 124 -2.709 8.033 7.538 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.340 7.096 8.805 1.00 0.00 C ATOM 0 H ALA A 124 -3.661 9.195 9.674 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.800 6.265 10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.456 6.197 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.072 7.086 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.499 7.976 8.182 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.227 5.926 8.163 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.212 5.740 7.136 1.00 0.00 C ATOM 1910 C TRP A 125 -1.761 4.911 5.984 1.00 0.00 C ATOM 1911 O TRP A 125 -2.427 3.889 6.191 1.00 0.00 O ATOM 1912 CB TRP A 125 0.053 5.086 7.712 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.195 3.918 8.628 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -1.318 3.142 8.700 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.715 3.390 9.601 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -1.162 2.171 9.660 1.00 0.00 N ATOM 1917 CE2 TRP A 125 0.077 2.302 10.226 1.00 0.00 C ATOM 1918 CE3 TRP A 125 2.008 3.734 10.005 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 0.688 1.557 11.231 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 2.613 2.994 11.003 1.00 0.00 C ATOM 1921 CH2 TRP A 125 1.954 1.917 11.606 1.00 0.00 C ATOM 0 H TRP A 125 -2.371 5.116 8.767 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.938 6.725 6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.680 4.753 6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.619 5.842 8.257 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -2.200 3.273 8.091 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.857 1.467 9.910 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.525 4.563 9.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.181 0.725 11.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.612 3.251 11.323 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.455 1.358 12.383 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.497 5.360 4.767 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.980 4.659 3.598 1.00 0.00 C ATOM 1934 C VAL A 126 -0.889 4.467 2.541 1.00 0.00 C ATOM 1935 O VAL A 126 -0.215 5.413 2.135 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.203 5.376 2.986 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.201 6.850 3.335 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.271 5.172 1.483 1.00 0.00 C ATOM 0 H VAL A 126 -0.955 6.201 4.568 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.286 3.668 3.933 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.097 4.929 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.073 7.330 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.234 6.967 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.294 7.315 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.144 5.690 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.369 5.572 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.350 4.107 1.264 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.745 3.220 2.104 1.00 0.00 N ATOM 1949 CA CYS A 127 0.236 2.831 1.086 1.00 0.00 C ATOM 1950 C CYS A 127 -0.380 1.789 0.163 1.00 0.00 C ATOM 1951 O CYS A 127 -1.383 1.189 0.506 1.00 0.00 O ATOM 1952 CB CYS A 127 1.501 2.263 1.724 1.00 0.00 C ATOM 1953 SG CYS A 127 2.287 3.369 2.937 1.00 0.00 S ATOM 0 H CYS A 127 -1.308 2.442 2.447 1.00 0.00 H new ATOM 0 HA CYS A 127 0.511 3.720 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.256 1.321 2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.220 2.035 0.937 1.00 0.00 H new ATOM 1958 N ASP A 128 0.208 1.553 -0.998 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.346 0.561 -1.900 1.00 0.00 C ATOM 1960 C ASP A 128 0.689 -0.491 -2.256 1.00 0.00 C ATOM 1961 O ASP A 128 1.869 -0.198 -2.415 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.868 1.230 -3.171 1.00 0.00 C ATOM 1963 CG ASP A 128 0.218 1.977 -3.921 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.752 2.960 -3.367 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.534 1.579 -5.061 1.00 0.00 O ATOM 0 H ASP A 128 1.049 2.023 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.174 0.069 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.302 0.473 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.668 1.923 -2.911 1.00 0.00 H new ATOM 1970 N ARG A 129 0.215 -1.721 -2.373 1.00 0.00 N ATOM 1971 CA ARG A 129 1.061 -2.860 -2.701 1.00 0.00 C ATOM 1972 C ARG A 129 0.233 -3.954 -3.356 1.00 0.00 C ATOM 1973 O ARG A 129 -0.975 -4.035 -3.144 1.00 0.00 O ATOM 1974 CB ARG A 129 1.731 -3.400 -1.434 1.00 0.00 C ATOM 1975 CG ARG A 129 2.598 -4.625 -1.675 1.00 0.00 C ATOM 1976 CD ARG A 129 2.202 -5.775 -0.762 1.00 0.00 C ATOM 1977 NE ARG A 129 3.270 -6.762 -0.630 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.476 -7.486 0.466 1.00 0.00 C ATOM 1979 NH1 ARG A 129 2.689 -7.332 1.524 1.00 0.00 N ATOM 1980 NH2 ARG A 129 4.469 -8.364 0.507 1.00 0.00 N ATOM 0 H ARG A 129 -0.768 -1.959 -2.243 1.00 0.00 H new ATOM 0 HA ARG A 129 1.833 -2.535 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.344 -2.613 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.961 -3.649 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 129 2.508 -4.937 -2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.645 -4.370 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.946 -5.384 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.308 -6.259 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 129 3.894 -6.904 -1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.925 -6.657 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.849 -7.888 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 129 5.077 -8.485 -0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 129 4.625 -8.918 1.349 1.00 0.00 H new ATOM 1994 N LEU A 130 0.882 -4.796 -4.146 1.00 0.00 N ATOM 1995 CA LEU A 130 0.188 -5.883 -4.826 1.00 0.00 C ATOM 1996 C LEU A 130 -0.337 -6.905 -3.822 1.00 0.00 C ATOM 1997 O LEU A 130 0.295 -7.167 -2.799 1.00 0.00 O ATOM 1998 CB LEU A 130 1.117 -6.558 -5.838 1.00 0.00 C ATOM 1999 CG LEU A 130 1.803 -5.611 -6.830 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.203 -6.360 -8.091 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.898 -4.432 -7.173 1.00 0.00 C ATOM 0 H LEU A 130 1.884 -4.749 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.664 -5.462 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.886 -7.105 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.542 -7.293 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 130 2.704 -5.220 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.688 -5.673 -8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.893 -7.163 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.315 -6.782 -8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.408 -3.775 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.025 -4.800 -7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.664 -3.877 -6.265 1.00 0.00 H new ATOM 2013 N ALA A 131 -1.508 -7.466 -4.121 1.00 0.00 N ATOM 2014 CA ALA A 131 -2.140 -8.452 -3.249 1.00 0.00 C ATOM 2015 C ALA A 131 -1.147 -9.510 -2.782 1.00 0.00 C ATOM 2016 O ALA A 131 -0.412 -10.085 -3.584 1.00 0.00 O ATOM 2017 CB ALA A 131 -3.313 -9.107 -3.962 1.00 0.00 C ATOM 0 H ALA A 131 -2.039 -7.252 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 131 -2.504 -7.929 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.776 -9.840 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.046 -8.346 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.958 -9.604 -4.865 1.00 0.00 H new ATOM 2023 N THR A 132 -1.136 -9.761 -1.476 1.00 0.00 N ATOM 2024 CA THR A 132 -0.242 -10.750 -0.893 1.00 0.00 C ATOM 2025 C THR A 132 -1.003 -11.687 0.039 1.00 0.00 C ATOM 2026 O THR A 132 -2.229 -11.628 0.128 1.00 0.00 O ATOM 2027 CB THR A 132 0.892 -10.061 -0.132 1.00 0.00 C ATOM 2028 OG1 THR A 132 0.820 -8.655 -0.292 1.00 0.00 O ATOM 2029 CG2 THR A 132 2.267 -10.504 -0.580 1.00 0.00 C ATOM 0 H THR A 132 -1.739 -9.290 -0.802 1.00 0.00 H new ATOM 0 HA THR A 132 0.184 -11.341 -1.704 1.00 0.00 H new ATOM 0 HB THR A 132 0.757 -10.347 0.911 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.403 -8.257 0.500 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.026 -9.978 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 132 2.372 -11.578 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 132 2.396 -10.276 -1.638 1.00 0.00 H new ATOM 2037 N CYS A 133 -0.268 -12.550 0.733 1.00 0.00 N ATOM 2038 CA CYS A 133 -0.875 -13.499 1.660 1.00 0.00 C ATOM 2039 C CYS A 133 -0.370 -13.270 3.081 1.00 0.00 C ATOM 2040 O CYS A 133 -1.032 -13.637 4.051 1.00 0.00 O ATOM 2041 CB CYS A 133 -0.575 -14.934 1.225 1.00 0.00 C ATOM 2042 SG CYS A 133 -2.044 -16.009 1.134 1.00 0.00 S ATOM 0 H CYS A 133 0.748 -12.612 0.671 1.00 0.00 H new ATOM 0 HA CYS A 133 -1.953 -13.341 1.647 1.00 0.00 H new ATOM 0 HB2 CYS A 133 -0.093 -14.912 0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 133 0.139 -15.372 1.923 1.00 0.00 H new ATOM 2047 N THR A 134 0.809 -12.662 3.193 1.00 0.00 N ATOM 2048 CA THR A 134 1.409 -12.382 4.493 1.00 0.00 C ATOM 2049 C THR A 134 1.552 -13.661 5.317 1.00 0.00 C ATOM 2050 O THR A 134 0.714 -13.955 6.171 1.00 0.00 O ATOM 2051 CB THR A 134 0.570 -11.358 5.258 1.00 0.00 C ATOM 2052 OG1 THR A 134 -0.040 -10.441 4.366 1.00 0.00 O ATOM 2053 CG2 THR A 134 1.371 -10.557 6.261 1.00 0.00 C ATOM 0 H THR A 134 1.368 -12.354 2.397 1.00 0.00 H new ATOM 0 HA THR A 134 2.404 -11.970 4.323 1.00 0.00 H new ATOM 0 HB THR A 134 -0.177 -11.942 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 134 -0.597 -10.930 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 134 0.715 -9.849 6.768 1.00 0.00 H new ATOM 0 HG22 THR A 134 1.814 -11.231 6.994 1.00 0.00 H new ATOM 0 HG23 THR A 134 2.161 -10.013 5.744 1.00 0.00 H new ATOM 2061 N PRO A 135 2.620 -14.441 5.069 1.00 0.00 N ATOM 2062 CA PRO A 135 2.869 -15.694 5.792 1.00 0.00 C ATOM 2063 C PRO A 135 2.901 -15.493 7.305 1.00 0.00 C ATOM 2064 O PRO A 135 3.144 -14.387 7.787 1.00 0.00 O ATOM 2065 CB PRO A 135 4.245 -16.136 5.283 1.00 0.00 C ATOM 2066 CG PRO A 135 4.392 -15.475 3.956 1.00 0.00 C ATOM 2067 CD PRO A 135 3.665 -14.164 4.067 1.00 0.00 C ATOM 0 HA PRO A 135 2.081 -16.427 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 135 5.037 -15.830 5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 135 4.303 -17.221 5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 135 5.443 -15.320 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 135 3.968 -16.091 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 135 4.329 -13.362 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 135 3.236 -13.859 3.112 1.00 0.00 H new ATOM 2075 N PRO A 136 2.655 -16.567 8.079 1.00 0.00 N ATOM 2076 CA PRO A 136 2.658 -16.501 9.545 1.00 0.00 C ATOM 2077 C PRO A 136 4.037 -16.169 10.106 1.00 0.00 C ATOM 2078 O PRO A 136 4.920 -17.026 10.153 1.00 0.00 O ATOM 2079 CB PRO A 136 2.231 -17.908 9.973 1.00 0.00 C ATOM 2080 CG PRO A 136 2.553 -18.779 8.808 1.00 0.00 C ATOM 2081 CD PRO A 136 2.356 -17.925 7.589 1.00 0.00 C ATOM 0 HA PRO A 136 2.001 -15.714 9.916 1.00 0.00 H new ATOM 0 HB2 PRO A 136 2.767 -18.229 10.866 1.00 0.00 H new ATOM 0 HB3 PRO A 136 1.168 -17.943 10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 136 3.578 -19.146 8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 136 1.902 -19.653 8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 136 3.025 -18.218 6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 136 1.339 -18.000 7.205 1.00 0.00 H new ATOM 2089 N ALA A 137 4.213 -14.920 10.529 1.00 0.00 N ATOM 2090 CA ALA A 137 5.482 -14.468 11.088 1.00 0.00 C ATOM 2091 C ALA A 137 6.627 -14.686 10.103 1.00 0.00 C ATOM 2092 O ALA A 137 6.401 -14.936 8.919 1.00 0.00 O ATOM 2093 CB ALA A 137 5.767 -15.185 12.400 1.00 0.00 C ATOM 0 H ALA A 137 3.490 -14.202 10.495 1.00 0.00 H new ATOM 0 HA ALA A 137 5.404 -13.398 11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 137 6.717 -14.838 12.806 1.00 0.00 H new ATOM 0 HB2 ALA A 137 4.969 -14.972 13.112 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.819 -16.259 12.224 1.00 0.00 H new ATOM 2099 N SER A 138 7.856 -14.591 10.601 1.00 0.00 N ATOM 2100 CA SER A 138 9.037 -14.778 9.766 1.00 0.00 C ATOM 2101 C SER A 138 9.788 -16.045 10.162 1.00 0.00 C ATOM 2102 O SER A 138 9.905 -16.365 11.345 1.00 0.00 O ATOM 2103 CB SER A 138 9.964 -13.566 9.878 1.00 0.00 C ATOM 2104 OG SER A 138 9.668 -12.603 8.880 1.00 0.00 O ATOM 0 H SER A 138 8.060 -14.386 11.579 1.00 0.00 H new ATOM 0 HA SER A 138 8.708 -14.880 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 138 9.860 -13.115 10.865 1.00 0.00 H new ATOM 0 HB3 SER A 138 11.001 -13.887 9.782 1.00 0.00 H new ATOM 0 HG SER A 138 10.273 -11.838 8.974 1.00 0.00 H new ATOM 2110 N GLU A 139 10.295 -16.762 9.164 1.00 0.00 N ATOM 2111 CA GLU A 139 11.035 -17.995 9.407 1.00 0.00 C ATOM 2112 C GLU A 139 12.333 -17.712 10.155 1.00 0.00 C ATOM 2113 O GLU A 139 13.273 -17.147 9.595 1.00 0.00 O ATOM 2114 CB GLU A 139 11.338 -18.701 8.084 1.00 0.00 C ATOM 2115 CG GLU A 139 10.775 -20.111 8.005 1.00 0.00 C ATOM 2116 CD GLU A 139 9.358 -20.143 7.467 1.00 0.00 C ATOM 2117 OE1 GLU A 139 8.457 -19.596 8.135 1.00 0.00 O ATOM 2118 OE2 GLU A 139 9.150 -20.715 6.376 1.00 0.00 O ATOM 0 H GLU A 139 10.207 -16.510 8.179 1.00 0.00 H new ATOM 0 HA GLU A 139 10.416 -18.646 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.931 -18.109 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.418 -18.741 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.416 -20.719 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 139 10.793 -20.562 8.997 1.00 0.00 H new ATOM 2125 N GLY A 140 12.378 -18.109 11.423 1.00 0.00 N ATOM 2126 CA GLY A 140 13.566 -17.889 12.229 1.00 0.00 C ATOM 2127 C GLY A 140 13.520 -16.575 12.983 1.00 0.00 C ATOM 2128 O GLY A 140 13.471 -16.559 14.212 1.00 0.00 O ATOM 0 H GLY A 140 11.613 -18.579 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 140 13.676 -18.708 12.939 1.00 0.00 H new ATOM 0 HA3 GLY A 140 14.446 -17.905 11.586 1.00 0.00 H new ATOM 2132 N SER A 141 13.535 -15.469 12.241 1.00 0.00 N ATOM 2133 CA SER A 141 13.495 -14.140 12.841 1.00 0.00 C ATOM 2134 C SER A 141 14.637 -13.955 13.835 1.00 0.00 C ATOM 2135 O SER A 141 14.485 -13.275 14.851 1.00 0.00 O ATOM 2136 CB SER A 141 12.152 -13.910 13.537 1.00 0.00 C ATOM 2137 OG SER A 141 11.697 -12.581 13.342 1.00 0.00 O ATOM 0 H SER A 141 13.575 -15.469 11.222 1.00 0.00 H new ATOM 0 HA SER A 141 13.612 -13.406 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.413 -14.611 13.149 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.253 -14.110 14.604 1.00 0.00 H new ATOM 0 HG SER A 141 10.837 -12.460 13.795 1.00 0.00 H new ATOM 2143 N ALA A 142 15.780 -14.565 13.537 1.00 0.00 N ATOM 2144 CA ALA A 142 16.948 -14.468 14.404 1.00 0.00 C ATOM 2145 C ALA A 142 17.812 -13.268 14.028 1.00 0.00 C ATOM 2146 O ALA A 142 18.699 -13.370 13.181 1.00 0.00 O ATOM 2147 CB ALA A 142 17.764 -15.750 14.336 1.00 0.00 C ATOM 0 H ALA A 142 15.922 -15.132 12.701 1.00 0.00 H new ATOM 0 HA ALA A 142 16.600 -14.326 15.427 1.00 0.00 H new ATOM 0 HB1 ALA A 142 18.633 -15.663 14.988 1.00 0.00 H new ATOM 0 HB2 ALA A 142 17.150 -16.590 14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 142 18.095 -15.917 13.311 1.00 0.00 H new ATOM 2153 N GLU A 143 17.547 -12.132 14.665 1.00 0.00 N ATOM 2154 CA GLU A 143 18.299 -10.911 14.398 1.00 0.00 C ATOM 2155 C GLU A 143 19.540 -10.833 15.280 1.00 0.00 C ATOM 2156 O GLU A 143 19.694 -11.704 16.163 1.00 0.00 O ATOM 2157 CB GLU A 143 17.417 -9.682 14.628 1.00 0.00 C ATOM 2158 CG GLU A 143 16.762 -9.652 15.999 1.00 0.00 C ATOM 2159 CD GLU A 143 17.096 -8.393 16.777 1.00 0.00 C ATOM 2160 OE1 GLU A 143 16.808 -7.289 16.270 1.00 0.00 O ATOM 2161 OE2 GLU A 143 17.644 -8.514 17.893 1.00 0.00 O ATOM 2162 OXT GLU A 143 20.349 -9.902 15.082 1.00 0.00 O ATOM 0 H GLU A 143 16.817 -12.031 15.370 1.00 0.00 H new ATOM 0 HA GLU A 143 18.617 -10.931 13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 143 18.021 -8.783 14.503 1.00 0.00 H new ATOM 0 HB3 GLU A 143 16.641 -9.654 13.863 1.00 0.00 H new ATOM 0 HG2 GLU A 143 15.681 -9.727 15.883 1.00 0.00 H new ATOM 0 HG3 GLU A 143 17.082 -10.523 16.570 1.00 0.00 H new TER 2169 GLU A 143