USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 19:sc= 0.437 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000109) USER MOD Single : A 10 SER OG : rot 114:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0993 X(o=-0.099,f=0) USER MOD Single : A 30 SER OG : rot -160:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.144) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -4:sc= 0.54 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.329 0.000 0.000 1.00 72.21 N ATOM 2 CA SER A 1 2.094 0.002 -1.242 1.00 21.12 C ATOM 3 C SER A 1 3.483 -0.590 -1.025 1.00 45.33 C ATOM 4 O SER A 1 4.228 -0.149 -0.150 1.00 4.45 O ATOM 5 CB SER A 1 2.212 1.425 -1.790 1.00 10.44 C ATOM 6 OG SER A 1 3.046 2.221 -0.966 1.00 60.43 O ATOM 0 H1 SER A 1 0.388 0.407 -0.172 1.00 72.21 H new ATOM 0 H2 SER A 1 1.227 -0.976 0.343 1.00 72.21 H new ATOM 0 H3 SER A 1 1.827 0.568 0.715 1.00 72.21 H new ATOM 0 HA SER A 1 1.565 -0.616 -1.968 1.00 21.12 H new ATOM 0 HB2 SER A 1 2.616 1.396 -2.802 1.00 10.44 H new ATOM 0 HB3 SER A 1 1.222 1.876 -1.855 1.00 10.44 H new ATOM 0 HG SER A 1 3.597 1.641 -0.401 1.00 60.43 H new ATOM 12 N ASN A 2 3.825 -1.591 -1.829 1.00 23.30 N ATOM 13 CA ASN A 2 5.125 -2.244 -1.726 1.00 5.33 C ATOM 14 C ASN A 2 5.976 -1.959 -2.960 1.00 74.30 C ATOM 15 O ASN A 2 5.457 -1.591 -4.013 1.00 40.12 O ATOM 16 CB ASN A 2 4.948 -3.754 -1.552 1.00 13.33 C ATOM 17 CG ASN A 2 4.763 -4.151 -0.101 1.00 3.04 C ATOM 18 OD1 ASN A 2 5.639 -3.923 0.733 1.00 33.21 O ATOM 19 ND2 ASN A 2 3.618 -4.749 0.208 1.00 61.32 N ATOM 0 H ASN A 2 3.220 -1.968 -2.559 1.00 23.30 H new ATOM 0 HA ASN A 2 5.638 -1.842 -0.852 1.00 5.33 H new ATOM 0 HB2 ASN A 2 4.085 -4.085 -2.129 1.00 13.33 H new ATOM 0 HB3 ASN A 2 5.819 -4.268 -1.958 1.00 13.33 H new ATOM 0 HD21 ASN A 2 3.437 -5.039 1.169 1.00 61.32 H new ATOM 0 HD22 ASN A 2 2.919 -4.918 -0.516 1.00 61.32 H new ATOM 26 N GLU A 3 7.287 -2.134 -2.821 1.00 13.45 N ATOM 27 CA GLU A 3 8.210 -1.895 -3.924 1.00 73.43 C ATOM 28 C GLU A 3 8.430 -3.169 -4.735 1.00 44.23 C ATOM 29 O GLU A 3 7.998 -4.252 -4.340 1.00 60.13 O ATOM 30 CB GLU A 3 9.549 -1.376 -3.395 1.00 22.32 C ATOM 31 CG GLU A 3 9.513 0.083 -2.974 1.00 15.25 C ATOM 32 CD GLU A 3 10.532 0.406 -1.899 1.00 55.13 C ATOM 33 OE1 GLU A 3 11.637 -0.175 -1.937 1.00 20.33 O ATOM 34 OE2 GLU A 3 10.226 1.238 -1.021 1.00 21.11 O1- ATOM 0 H GLU A 3 7.733 -2.440 -1.956 1.00 13.45 H new ATOM 0 HA GLU A 3 7.769 -1.141 -4.576 1.00 73.43 H new ATOM 0 HB2 GLU A 3 9.854 -1.984 -2.543 1.00 22.32 H new ATOM 0 HB3 GLU A 3 10.309 -1.504 -4.166 1.00 22.32 H new ATOM 0 HG2 GLU A 3 9.697 0.713 -3.844 1.00 15.25 H new ATOM 0 HG3 GLU A 3 8.515 0.327 -2.609 1.00 15.25 H new ATOM 41 N CYS A 4 9.105 -3.031 -5.871 1.00 52.22 N ATOM 42 CA CYS A 4 9.383 -4.169 -6.739 1.00 21.31 C ATOM 43 C CYS A 4 10.881 -4.456 -6.798 1.00 74.32 C ATOM 44 O CYS A 4 11.689 -3.701 -6.256 1.00 44.11 O ATOM 45 CB CYS A 4 8.847 -3.906 -8.147 1.00 51.15 C ATOM 46 SG CYS A 4 9.581 -2.451 -8.962 1.00 11.12 S ATOM 0 H CYS A 4 9.470 -2.142 -6.212 1.00 52.22 H new ATOM 0 HA CYS A 4 8.880 -5.042 -6.323 1.00 21.31 H new ATOM 0 HB2 CYS A 4 9.030 -4.786 -8.764 1.00 51.15 H new ATOM 0 HB3 CYS A 4 7.766 -3.773 -8.094 1.00 51.15 H new ATOM 51 N ILE A 5 11.242 -5.550 -7.459 1.00 31.52 N ATOM 52 CA ILE A 5 12.642 -5.935 -7.590 1.00 72.10 C ATOM 53 C ILE A 5 13.411 -4.929 -8.441 1.00 53.01 C ATOM 54 O ILE A 5 12.911 -4.450 -9.458 1.00 4.05 O ATOM 55 CB ILE A 5 12.785 -7.335 -8.216 1.00 12.53 C ATOM 56 CG1 ILE A 5 12.062 -8.376 -7.359 1.00 62.43 C ATOM 57 CG2 ILE A 5 14.254 -7.697 -8.373 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.768 -9.665 -8.094 1.00 31.22 C ATOM 0 H ILE A 5 10.585 -6.185 -7.912 1.00 31.52 H new ATOM 0 HA ILE A 5 13.060 -5.952 -6.584 1.00 72.10 H new ATOM 0 HB ILE A 5 12.326 -7.324 -9.205 1.00 12.53 H new ATOM 0 HG12 ILE A 5 12.670 -8.598 -6.482 1.00 62.43 H new ATOM 0 HG13 ILE A 5 11.125 -7.951 -6.999 1.00 62.43 H new ATOM 0 HG21 ILE A 5 14.339 -8.689 -8.817 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.741 -6.967 -9.020 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.736 -7.694 -7.395 1.00 31.52 H new ATOM 0 HD11 ILE A 5 11.255 -10.356 -7.425 1.00 31.22 H new ATOM 0 HD12 ILE A 5 11.134 -9.456 -8.956 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.703 -10.113 -8.431 1.00 31.22 H new ATOM 70 N ARG A 6 14.632 -4.616 -8.018 1.00 34.14 N ATOM 71 CA ARG A 6 15.471 -3.669 -8.741 1.00 41.52 C ATOM 72 C ARG A 6 16.071 -4.314 -9.987 1.00 31.32 C ATOM 73 O ARG A 6 16.411 -5.498 -9.984 1.00 14.52 O ATOM 74 CB ARG A 6 16.589 -3.149 -7.835 1.00 30.43 C ATOM 75 CG ARG A 6 16.084 -2.356 -6.640 1.00 22.22 C ATOM 76 CD ARG A 6 15.949 -3.234 -5.406 1.00 30.33 C ATOM 77 NE ARG A 6 16.007 -2.455 -4.172 1.00 51.53 N ATOM 78 CZ ARG A 6 15.742 -2.960 -2.971 1.00 44.12 C ATOM 79 NH1 ARG A 6 15.404 -4.235 -2.845 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 15.816 -2.187 -1.895 1.00 11.21 N ATOM 0 H ARG A 6 15.061 -5.005 -7.178 1.00 34.14 H new ATOM 0 HA ARG A 6 14.845 -2.832 -9.051 1.00 41.52 H new ATOM 0 HB2 ARG A 6 17.178 -3.994 -7.477 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.258 -2.520 -8.422 1.00 30.43 H new ATOM 0 HG2 ARG A 6 16.770 -1.535 -6.431 1.00 22.22 H new ATOM 0 HG3 ARG A 6 15.118 -1.911 -6.879 1.00 22.22 H new ATOM 0 HD2 ARG A 6 15.004 -3.776 -5.448 1.00 30.33 H new ATOM 0 HD3 ARG A 6 16.745 -3.979 -5.402 1.00 30.33 H new ATOM 0 HE ARG A 6 16.265 -1.470 -4.235 1.00 51.53 H new ATOM 0 HH11 ARG A 6 15.347 -4.831 -3.670 1.00 51.33 H new ATOM 0 HH12 ARG A 6 15.201 -4.620 -1.923 1.00 51.33 H new ATOM 0 HH21 ARG A 6 16.076 -1.205 -1.989 1.00 11.21 H new ATOM 0 HH22 ARG A 6 15.613 -2.575 -0.974 1.00 11.21 H new ATOM 94 N LYS A 7 16.199 -3.529 -11.051 1.00 12.45 N ATOM 95 CA LYS A 7 16.758 -4.022 -12.304 1.00 74.33 C ATOM 96 C LYS A 7 18.148 -4.610 -12.085 1.00 3.13 C ATOM 97 O LYS A 7 18.964 -4.045 -11.357 1.00 45.21 O ATOM 98 CB LYS A 7 16.827 -2.893 -13.335 1.00 25.23 C ATOM 99 CG LYS A 7 17.068 -3.379 -14.754 1.00 71.33 C ATOM 100 CD LYS A 7 16.357 -2.504 -15.772 1.00 42.04 C ATOM 101 CE LYS A 7 17.139 -1.231 -16.056 1.00 22.14 C ATOM 102 NZ LYS A 7 16.776 -0.639 -17.373 1.00 43.20 N1+ ATOM 0 H LYS A 7 15.923 -2.547 -11.071 1.00 12.45 H new ATOM 0 HA LYS A 7 16.104 -4.809 -12.680 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.895 -2.329 -13.307 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.625 -2.205 -13.055 1.00 25.23 H new ATOM 0 HG2 LYS A 7 18.138 -3.383 -14.961 1.00 71.33 H new ATOM 0 HG3 LYS A 7 16.720 -4.407 -14.851 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.218 -3.061 -16.698 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.364 -2.248 -15.403 1.00 42.04 H new ATOM 0 HE2 LYS A 7 16.949 -0.504 -15.266 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.207 -1.449 -16.038 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 17.318 0.236 -17.522 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 16.997 -1.316 -18.131 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 15.759 -0.423 -17.388 1.00 43.20 H new ATOM 116 N TRP A 8 18.412 -5.746 -12.721 1.00 12.14 N ATOM 117 CA TRP A 8 19.705 -6.409 -12.596 1.00 60.14 C ATOM 118 C TRP A 8 20.007 -6.744 -11.139 1.00 43.13 C ATOM 119 O TRP A 8 21.071 -6.403 -10.622 1.00 71.13 O ATOM 120 CB TRP A 8 20.812 -5.524 -13.169 1.00 3.43 C ATOM 121 CG TRP A 8 20.794 -5.444 -14.666 1.00 52.22 C ATOM 122 CD1 TRP A 8 20.483 -4.352 -15.424 1.00 3.11 C ATOM 123 CD2 TRP A 8 21.097 -6.500 -15.585 1.00 13.05 C ATOM 124 NE1 TRP A 8 20.575 -4.665 -16.759 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.951 -5.976 -16.884 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.480 -7.835 -15.436 1.00 2.53 C ATOM 127 CZ2 TRP A 8 21.173 -6.743 -18.025 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.700 -8.595 -16.569 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.547 -8.048 -17.850 1.00 64.05 C ATOM 0 H TRP A 8 17.748 -6.227 -13.328 1.00 12.14 H new ATOM 0 HA TRP A 8 19.664 -7.340 -13.162 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.714 -4.519 -12.757 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.779 -5.908 -12.844 1.00 3.43 H new ATOM 0 HD1 TRP A 8 20.206 -3.385 -15.032 1.00 3.11 H new ATOM 0 HE1 TRP A 8 20.393 -4.025 -17.532 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.602 -8.265 -14.453 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 21.054 -6.323 -19.013 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 21.995 -9.629 -16.465 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.728 -8.668 -18.716 1.00 64.05 H new ATOM 140 N LEU A 9 19.065 -7.412 -10.483 1.00 24.33 N ATOM 141 CA LEU A 9 19.231 -7.793 -9.084 1.00 13.42 C ATOM 142 C LEU A 9 19.147 -9.307 -8.918 1.00 32.14 C ATOM 143 O LEU A 9 20.147 -9.968 -8.641 1.00 32.51 O ATOM 144 CB LEU A 9 18.167 -7.113 -8.220 1.00 64.42 C ATOM 145 CG LEU A 9 18.235 -7.403 -6.721 1.00 13.01 C ATOM 146 CD1 LEU A 9 19.609 -7.052 -6.171 1.00 21.52 C ATOM 147 CD2 LEU A 9 17.151 -6.635 -5.980 1.00 2.10 C ATOM 0 H LEU A 9 18.179 -7.701 -10.897 1.00 24.33 H new ATOM 0 HA LEU A 9 20.218 -7.465 -8.758 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.244 -6.035 -8.365 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.185 -7.414 -8.584 1.00 64.42 H new ATOM 0 HG LEU A 9 18.067 -8.469 -6.569 1.00 13.01 H new ATOM 0 HD11 LEU A 9 19.638 -7.265 -5.102 1.00 21.52 H new ATOM 0 HD12 LEU A 9 20.368 -7.646 -6.681 1.00 21.52 H new ATOM 0 HD13 LEU A 9 19.807 -5.993 -6.335 1.00 21.52 H new ATOM 0 HD21 LEU A 9 17.214 -6.853 -4.914 1.00 2.10 H new ATOM 0 HD22 LEU A 9 17.289 -5.566 -6.140 1.00 2.10 H new ATOM 0 HD23 LEU A 9 16.172 -6.935 -6.354 1.00 2.10 H new ATOM 159 N SER A 10 17.946 -9.850 -9.092 1.00 45.25 N ATOM 160 CA SER A 10 17.730 -11.286 -8.960 1.00 64.14 C ATOM 161 C SER A 10 16.306 -11.660 -9.360 1.00 64.00 C ATOM 162 O SER A 10 15.336 -11.153 -8.796 1.00 53.42 O ATOM 163 CB SER A 10 18.002 -11.734 -7.522 1.00 54.12 C ATOM 164 OG SER A 10 17.178 -11.035 -6.606 1.00 65.41 O ATOM 0 H SER A 10 17.108 -9.317 -9.325 1.00 45.25 H new ATOM 0 HA SER A 10 18.423 -11.796 -9.629 1.00 64.14 H new ATOM 0 HB2 SER A 10 17.824 -12.806 -7.432 1.00 54.12 H new ATOM 0 HB3 SER A 10 19.050 -11.563 -7.277 1.00 54.12 H new ATOM 0 HG SER A 10 16.552 -11.661 -6.185 1.00 65.41 H new ATOM 170 N CYS A 11 16.189 -12.552 -10.338 1.00 71.34 N ATOM 171 CA CYS A 11 14.885 -12.996 -10.816 1.00 40.34 C ATOM 172 C CYS A 11 14.507 -14.338 -10.198 1.00 4.42 C ATOM 173 O CYS A 11 13.336 -14.721 -10.184 1.00 25.34 O ATOM 174 CB CYS A 11 14.889 -13.108 -12.342 1.00 32.52 C ATOM 175 SG CYS A 11 13.253 -13.449 -13.067 1.00 22.00 S ATOM 0 H CYS A 11 16.982 -12.982 -10.815 1.00 71.34 H new ATOM 0 HA CYS A 11 14.144 -12.256 -10.514 1.00 40.34 H new ATOM 0 HB2 CYS A 11 15.275 -12.179 -12.763 1.00 32.52 H new ATOM 0 HB3 CYS A 11 15.577 -13.901 -12.636 1.00 32.52 H new ATOM 180 N VAL A 12 15.506 -15.050 -9.685 1.00 1.33 N ATOM 181 CA VAL A 12 15.279 -16.349 -9.064 1.00 2.34 C ATOM 182 C VAL A 12 14.172 -16.272 -8.018 1.00 65.54 C ATOM 183 O VAL A 12 13.436 -17.236 -7.806 1.00 52.14 O ATOM 184 CB VAL A 12 16.561 -16.886 -8.400 1.00 70.43 C ATOM 185 CG1 VAL A 12 17.638 -17.138 -9.444 1.00 73.24 C ATOM 186 CG2 VAL A 12 17.055 -15.917 -7.336 1.00 54.01 C ATOM 0 H VAL A 12 16.480 -14.748 -9.688 1.00 1.33 H new ATOM 0 HA VAL A 12 14.978 -17.031 -9.859 1.00 2.34 H new ATOM 0 HB VAL A 12 16.329 -17.835 -7.916 1.00 70.43 H new ATOM 0 HG11 VAL A 12 18.536 -17.517 -8.956 1.00 73.24 H new ATOM 0 HG12 VAL A 12 17.280 -17.872 -10.166 1.00 73.24 H new ATOM 0 HG13 VAL A 12 17.871 -16.206 -9.959 1.00 73.24 H new ATOM 0 HG21 VAL A 12 17.961 -16.312 -6.877 1.00 54.01 H new ATOM 0 HG22 VAL A 12 17.271 -14.952 -7.795 1.00 54.01 H new ATOM 0 HG23 VAL A 12 16.287 -15.792 -6.573 1.00 54.01 H new ATOM 196 N ASP A 13 14.060 -15.119 -7.367 1.00 50.12 N ATOM 197 CA ASP A 13 13.042 -14.915 -6.344 1.00 21.44 C ATOM 198 C ASP A 13 11.642 -15.021 -6.941 1.00 13.52 C ATOM 199 O ASP A 13 10.917 -15.981 -6.683 1.00 20.24 O ATOM 200 CB ASP A 13 13.224 -13.550 -5.678 1.00 4.14 C ATOM 201 CG ASP A 13 14.560 -13.424 -4.973 1.00 12.14 C ATOM 202 OD1 ASP A 13 14.823 -14.225 -4.053 1.00 51.22 O1- ATOM 203 OD2 ASP A 13 15.343 -12.522 -5.341 1.00 63.11 O ATOM 0 H ASP A 13 14.662 -14.312 -7.530 1.00 50.12 H new ATOM 0 HA ASP A 13 13.157 -15.696 -5.592 1.00 21.44 H new ATOM 0 HB2 ASP A 13 13.139 -12.767 -6.431 1.00 4.14 H new ATOM 0 HB3 ASP A 13 12.420 -13.390 -4.959 1.00 4.14 H new ATOM 208 N ARG A 14 11.268 -14.026 -7.740 1.00 34.15 N ATOM 209 CA ARG A 14 9.955 -14.006 -8.372 1.00 11.34 C ATOM 210 C ARG A 14 10.007 -13.280 -9.712 1.00 1.34 C ATOM 211 O ARG A 14 10.313 -12.089 -9.774 1.00 5.14 O ATOM 212 CB ARG A 14 8.934 -13.331 -7.454 1.00 44.02 C ATOM 213 CG ARG A 14 9.458 -12.074 -6.780 1.00 11.43 C ATOM 214 CD ARG A 14 10.072 -12.384 -5.423 1.00 33.34 C ATOM 215 NE ARG A 14 9.089 -12.306 -4.347 1.00 31.23 N ATOM 216 CZ ARG A 14 9.248 -12.887 -3.163 1.00 33.30 C ATOM 217 NH1 ARG A 14 10.346 -13.584 -2.905 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 8.307 -12.771 -2.234 1.00 13.11 N ATOM 0 H ARG A 14 11.856 -13.224 -7.964 1.00 34.15 H new ATOM 0 HA ARG A 14 9.649 -15.037 -8.549 1.00 11.34 H new ATOM 0 HB2 ARG A 14 8.047 -13.079 -8.035 1.00 44.02 H new ATOM 0 HB3 ARG A 14 8.622 -14.041 -6.688 1.00 44.02 H new ATOM 0 HG2 ARG A 14 10.204 -11.601 -7.419 1.00 11.43 H new ATOM 0 HG3 ARG A 14 8.644 -11.359 -6.658 1.00 11.43 H new ATOM 0 HD2 ARG A 14 10.509 -13.382 -5.443 1.00 33.34 H new ATOM 0 HD3 ARG A 14 10.884 -11.684 -5.224 1.00 33.34 H new ATOM 0 HE ARG A 14 8.233 -11.776 -4.513 1.00 31.23 H new ATOM 0 HH11 ARG A 14 11.071 -13.675 -3.616 1.00 64.12 H new ATOM 0 HH12 ARG A 14 10.466 -14.029 -1.995 1.00 64.12 H new ATOM 0 HH21 ARG A 14 7.461 -12.235 -2.429 1.00 13.11 H new ATOM 0 HH22 ARG A 14 8.430 -13.217 -1.325 1.00 13.11 H new ATOM 232 N LYS A 15 9.708 -14.005 -10.785 1.00 52.10 N ATOM 233 CA LYS A 15 9.720 -13.432 -12.125 1.00 21.15 C ATOM 234 C LYS A 15 8.413 -12.702 -12.416 1.00 23.41 C ATOM 235 O LYS A 15 8.396 -11.701 -13.132 1.00 3.31 O ATOM 236 CB LYS A 15 9.949 -14.527 -13.169 1.00 22.05 C ATOM 237 CG LYS A 15 8.896 -15.622 -13.143 1.00 60.24 C ATOM 238 CD LYS A 15 9.062 -16.584 -14.307 1.00 23.34 C ATOM 239 CE LYS A 15 10.413 -17.282 -14.264 1.00 43.34 C ATOM 240 NZ LYS A 15 10.425 -18.517 -15.096 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.454 -14.992 -10.752 1.00 52.10 H new ATOM 0 HA LYS A 15 10.537 -12.713 -12.178 1.00 21.15 H new ATOM 0 HB2 LYS A 15 9.966 -14.074 -14.160 1.00 22.05 H new ATOM 0 HB3 LYS A 15 10.930 -14.974 -13.006 1.00 22.05 H new ATOM 0 HG2 LYS A 15 8.964 -16.171 -12.204 1.00 60.24 H new ATOM 0 HG3 LYS A 15 7.903 -15.174 -13.179 1.00 60.24 H new ATOM 0 HD2 LYS A 15 8.266 -17.328 -14.282 1.00 23.34 H new ATOM 0 HD3 LYS A 15 8.961 -16.041 -15.247 1.00 23.34 H new ATOM 0 HE2 LYS A 15 11.186 -16.599 -14.616 1.00 43.34 H new ATOM 0 HE3 LYS A 15 10.658 -17.536 -13.233 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 11.363 -18.964 -15.041 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 9.704 -19.179 -14.744 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 10.216 -18.271 -16.085 1.00 34.55 H new ATOM 254 N ASN A 16 7.319 -13.210 -11.856 1.00 74.22 N ATOM 255 CA ASN A 16 6.007 -12.605 -12.056 1.00 2.32 C ATOM 256 C ASN A 16 5.880 -11.307 -11.264 1.00 61.22 C ATOM 257 O ASN A 16 4.960 -10.520 -11.486 1.00 13.45 O ATOM 258 CB ASN A 16 4.905 -13.580 -11.638 1.00 35.24 C ATOM 259 CG ASN A 16 5.000 -14.907 -12.366 1.00 64.51 C ATOM 260 OD1 ASN A 16 5.630 -15.849 -11.883 1.00 50.32 O ATOM 261 ND2 ASN A 16 4.375 -14.987 -13.535 1.00 31.22 N ATOM 0 H ASN A 16 7.315 -14.038 -11.261 1.00 74.22 H new ATOM 0 HA ASN A 16 5.898 -12.375 -13.116 1.00 2.32 H new ATOM 0 HB2 ASN A 16 4.965 -13.753 -10.564 1.00 35.24 H new ATOM 0 HB3 ASN A 16 3.932 -13.130 -11.834 1.00 35.24 H new ATOM 0 HD21 ASN A 16 4.405 -15.854 -14.071 1.00 31.22 H new ATOM 0 HD22 ASN A 16 3.865 -14.181 -13.897 1.00 31.22 H new ATOM 268 N ASP A 17 6.810 -11.091 -10.340 1.00 63.14 N ATOM 269 CA ASP A 17 6.804 -9.888 -9.516 1.00 4.05 C ATOM 270 C ASP A 17 8.127 -9.138 -9.638 1.00 14.43 C ATOM 271 O ASP A 17 8.592 -8.517 -8.682 1.00 10.22 O ATOM 272 CB ASP A 17 6.541 -10.248 -8.052 1.00 62.44 C ATOM 273 CG ASP A 17 5.064 -10.414 -7.754 1.00 12.13 C ATOM 274 OD1 ASP A 17 4.547 -11.539 -7.920 1.00 64.23 O ATOM 275 OD2 ASP A 17 4.425 -9.419 -7.352 1.00 23.40 O1- ATOM 0 H ASP A 17 7.577 -11.733 -10.143 1.00 63.14 H new ATOM 0 HA ASP A 17 6.005 -9.238 -9.872 1.00 4.05 H new ATOM 0 HB2 ASP A 17 7.064 -11.173 -7.808 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.953 -9.470 -7.410 1.00 62.44 H new ATOM 280 N CYS A 18 8.729 -9.202 -10.821 1.00 22.14 N ATOM 281 CA CYS A 18 9.999 -8.531 -11.069 1.00 12.03 C ATOM 282 C CYS A 18 9.850 -7.018 -10.939 1.00 12.24 C ATOM 283 O CYS A 18 10.357 -6.412 -9.994 1.00 15.22 O ATOM 284 CB CYS A 18 10.523 -8.884 -12.463 1.00 65.22 C ATOM 285 SG CYS A 18 11.754 -10.227 -12.476 1.00 64.10 S ATOM 0 H CYS A 18 8.358 -9.712 -11.623 1.00 22.14 H new ATOM 0 HA CYS A 18 10.714 -8.874 -10.321 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.682 -9.171 -13.094 1.00 65.22 H new ATOM 0 HB3 CYS A 18 10.967 -7.994 -12.909 1.00 65.22 H new ATOM 290 N CYS A 19 9.151 -6.413 -11.893 1.00 52.34 N ATOM 291 CA CYS A 19 8.934 -4.972 -11.886 1.00 50.21 C ATOM 292 C CYS A 19 8.099 -4.542 -13.089 1.00 44.05 C ATOM 293 O CYS A 19 7.556 -5.378 -13.811 1.00 61.25 O ATOM 294 CB CYS A 19 10.273 -4.233 -11.892 1.00 45.44 C ATOM 295 SG CYS A 19 10.362 -2.845 -10.715 1.00 3.21 S ATOM 0 H CYS A 19 8.725 -6.899 -12.682 1.00 52.34 H new ATOM 0 HA CYS A 19 8.390 -4.717 -10.977 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.068 -4.942 -11.662 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.463 -3.856 -12.897 1.00 45.44 H new ATOM 300 N GLU A 20 8.002 -3.232 -13.298 1.00 0.41 N ATOM 301 CA GLU A 20 7.233 -2.692 -14.413 1.00 21.12 C ATOM 302 C GLU A 20 8.086 -2.615 -15.676 1.00 12.24 C ATOM 303 O GLU A 20 9.038 -1.840 -15.748 1.00 33.41 O ATOM 304 CB GLU A 20 6.693 -1.303 -14.063 1.00 34.22 C ATOM 305 CG GLU A 20 5.953 -0.632 -15.208 1.00 61.45 C ATOM 306 CD GLU A 20 5.242 0.636 -14.779 1.00 22.34 C ATOM 307 OE1 GLU A 20 4.900 0.748 -13.583 1.00 41.52 O ATOM 308 OE2 GLU A 20 5.027 1.516 -15.638 1.00 2.13 O1- ATOM 0 H GLU A 20 8.446 -2.526 -12.710 1.00 0.41 H new ATOM 0 HA GLU A 20 6.395 -3.363 -14.602 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.022 -1.388 -13.208 1.00 34.22 H new ATOM 0 HB3 GLU A 20 7.523 -0.667 -13.755 1.00 34.22 H new ATOM 0 HG2 GLU A 20 6.660 -0.396 -16.004 1.00 61.45 H new ATOM 0 HG3 GLU A 20 5.226 -1.329 -15.624 1.00 61.45 H new ATOM 315 N GLY A 21 7.736 -3.427 -16.669 1.00 40.44 N ATOM 316 CA GLY A 21 8.480 -3.436 -17.916 1.00 52.55 C ATOM 317 C GLY A 21 9.709 -4.320 -17.851 1.00 53.30 C ATOM 318 O GLY A 21 10.621 -4.190 -18.668 1.00 0.22 O ATOM 0 H GLY A 21 6.952 -4.078 -16.633 1.00 40.44 H new ATOM 0 HA2 GLY A 21 7.830 -3.781 -18.721 1.00 52.55 H new ATOM 0 HA3 GLY A 21 8.781 -2.418 -18.163 1.00 52.55 H new ATOM 322 N LEU A 22 9.737 -5.222 -16.875 1.00 13.10 N ATOM 323 CA LEU A 22 10.865 -6.131 -16.705 1.00 41.51 C ATOM 324 C LEU A 22 10.426 -7.581 -16.873 1.00 64.04 C ATOM 325 O LEU A 22 9.266 -7.919 -16.639 1.00 31.15 O ATOM 326 CB LEU A 22 11.500 -5.934 -15.327 1.00 20.40 C ATOM 327 CG LEU A 22 12.172 -4.582 -15.084 1.00 3.03 C ATOM 328 CD1 LEU A 22 12.866 -4.567 -13.731 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.161 -4.271 -16.197 1.00 73.44 C ATOM 0 H LEU A 22 8.991 -5.343 -16.190 1.00 13.10 H new ATOM 0 HA LEU A 22 11.603 -5.903 -17.474 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.728 -6.075 -14.570 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.242 -6.718 -15.176 1.00 20.40 H new ATOM 0 HG LEU A 22 11.403 -3.810 -15.083 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.339 -3.597 -13.575 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.133 -4.744 -12.944 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.625 -5.349 -13.703 1.00 13.13 H new ATOM 0 HD21 LEU A 22 13.630 -3.305 -16.008 1.00 73.44 H new ATOM 0 HD22 LEU A 22 13.927 -5.046 -16.230 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.636 -4.239 -17.152 1.00 73.44 H new ATOM 341 N GLU A 23 11.362 -8.435 -17.277 1.00 73.11 N ATOM 342 CA GLU A 23 11.070 -9.850 -17.475 1.00 72.50 C ATOM 343 C GLU A 23 12.275 -10.710 -17.105 1.00 73.15 C ATOM 344 O GLU A 23 13.409 -10.233 -17.080 1.00 53.25 O ATOM 345 CB GLU A 23 10.669 -10.113 -18.928 1.00 42.13 C ATOM 346 CG GLU A 23 11.832 -10.039 -19.903 1.00 54.44 C ATOM 347 CD GLU A 23 11.416 -10.335 -21.331 1.00 41.24 C ATOM 348 OE1 GLU A 23 10.215 -10.593 -21.558 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 12.292 -10.309 -22.221 1.00 62.21 O ATOM 0 H GLU A 23 12.328 -8.172 -17.473 1.00 73.11 H new ATOM 0 HA GLU A 23 10.239 -10.118 -16.823 1.00 72.50 H new ATOM 0 HB2 GLU A 23 10.210 -11.099 -18.997 1.00 42.13 H new ATOM 0 HB3 GLU A 23 9.911 -9.388 -19.224 1.00 42.13 H new ATOM 0 HG2 GLU A 23 12.277 -9.045 -19.857 1.00 54.44 H new ATOM 0 HG3 GLU A 23 12.602 -10.748 -19.599 1.00 54.44 H new ATOM 356 N CYS A 24 12.019 -11.982 -16.816 1.00 3.15 N ATOM 357 CA CYS A 24 13.081 -12.911 -16.446 1.00 43.32 C ATOM 358 C CYS A 24 13.914 -13.299 -17.664 1.00 13.33 C ATOM 359 O CYS A 24 13.381 -13.492 -18.757 1.00 71.04 O ATOM 360 CB CYS A 24 12.488 -14.164 -15.800 1.00 63.05 C ATOM 361 SG CYS A 24 13.538 -14.902 -14.507 1.00 51.21 S ATOM 0 H CYS A 24 11.086 -12.393 -16.831 1.00 3.15 H new ATOM 0 HA CYS A 24 13.731 -12.412 -15.727 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.520 -13.913 -15.367 1.00 63.05 H new ATOM 0 HB3 CYS A 24 12.307 -14.909 -16.575 1.00 63.05 H new ATOM 366 N TYR A 25 15.223 -13.411 -17.467 1.00 42.15 N ATOM 367 CA TYR A 25 16.130 -13.773 -18.550 1.00 43.13 C ATOM 368 C TYR A 25 16.651 -15.196 -18.370 1.00 24.34 C ATOM 369 O TYR A 25 16.468 -15.809 -17.318 1.00 2.23 O ATOM 370 CB TYR A 25 17.302 -12.793 -18.611 1.00 24.23 C ATOM 371 CG TYR A 25 17.935 -12.690 -19.980 1.00 72.44 C ATOM 372 CD1 TYR A 25 17.169 -12.389 -21.100 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.298 -12.894 -20.155 1.00 73.43 C ATOM 374 CE1 TYR A 25 17.742 -12.295 -22.353 1.00 40.22 C ATOM 375 CE2 TYR A 25 19.880 -12.801 -21.404 1.00 20.10 C ATOM 376 CZ TYR A 25 19.098 -12.501 -22.500 1.00 72.10 C ATOM 377 OH TYR A 25 19.674 -12.408 -23.746 1.00 42.01 O ATOM 0 H TYR A 25 15.680 -13.256 -16.568 1.00 42.15 H new ATOM 0 HA TYR A 25 15.575 -13.724 -19.487 1.00 43.13 H new ATOM 0 HB2 TYR A 25 16.955 -11.806 -18.305 1.00 24.23 H new ATOM 0 HB3 TYR A 25 18.060 -13.102 -17.892 1.00 24.23 H new ATOM 0 HD1 TYR A 25 16.107 -12.226 -20.988 1.00 1.13 H new ATOM 0 HD2 TYR A 25 19.913 -13.129 -19.299 1.00 73.43 H new ATOM 0 HE1 TYR A 25 17.132 -12.062 -23.213 1.00 40.22 H new ATOM 0 HE2 TYR A 25 20.941 -12.962 -21.522 1.00 20.10 H new ATOM 0 HH TYR A 25 20.636 -12.580 -23.675 1.00 42.01 H new ATOM 387 N LYS A 26 17.303 -15.715 -19.404 1.00 24.35 N ATOM 388 CA LYS A 26 17.855 -17.064 -19.363 1.00 34.53 C ATOM 389 C LYS A 26 19.363 -17.043 -19.586 1.00 64.11 C ATOM 390 O LYS A 26 19.841 -16.580 -20.622 1.00 12.35 O ATOM 391 CB LYS A 26 17.185 -17.944 -20.421 1.00 44.31 C ATOM 392 CG LYS A 26 17.069 -17.278 -21.781 1.00 35.50 C ATOM 393 CD LYS A 26 16.694 -18.278 -22.862 1.00 15.23 C ATOM 394 CE LYS A 26 16.522 -17.600 -24.213 1.00 24.30 C ATOM 395 NZ LYS A 26 17.829 -17.190 -24.797 1.00 45.14 N1+ ATOM 0 H LYS A 26 17.462 -15.221 -20.282 1.00 24.35 H new ATOM 0 HA LYS A 26 17.658 -17.480 -18.375 1.00 34.53 H new ATOM 0 HB2 LYS A 26 17.753 -18.868 -20.526 1.00 44.31 H new ATOM 0 HB3 LYS A 26 16.189 -18.220 -20.075 1.00 44.31 H new ATOM 0 HG2 LYS A 26 16.318 -16.489 -21.738 1.00 35.50 H new ATOM 0 HG3 LYS A 26 18.016 -16.803 -22.036 1.00 35.50 H new ATOM 0 HD2 LYS A 26 17.466 -19.044 -22.934 1.00 15.23 H new ATOM 0 HD3 LYS A 26 15.768 -18.783 -22.587 1.00 15.23 H new ATOM 0 HE2 LYS A 26 16.015 -18.279 -24.898 1.00 24.30 H new ATOM 0 HE3 LYS A 26 15.883 -16.724 -24.101 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 17.670 -16.732 -25.717 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 18.302 -16.522 -24.155 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 18.429 -18.029 -24.927 1.00 45.14 H new ATOM 409 N ARG A 27 20.109 -17.547 -18.608 1.00 13.42 N ATOM 410 CA ARG A 27 21.563 -17.585 -18.698 1.00 2.22 C ATOM 411 C ARG A 27 22.066 -19.024 -18.758 1.00 13.11 C ATOM 412 O ARG A 27 21.313 -19.967 -18.511 1.00 42.10 O ATOM 413 CB ARG A 27 22.189 -16.864 -17.503 1.00 75.21 C ATOM 414 CG ARG A 27 22.277 -15.357 -17.678 1.00 55.10 C ATOM 415 CD ARG A 27 23.400 -14.972 -18.629 1.00 52.24 C ATOM 416 NE ARG A 27 24.672 -14.799 -17.932 1.00 31.33 N ATOM 417 CZ ARG A 27 25.841 -14.688 -18.553 1.00 45.33 C ATOM 418 NH1 ARG A 27 25.898 -14.731 -19.877 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 26.955 -14.534 -17.849 1.00 63.22 N ATOM 0 H ARG A 27 19.730 -17.935 -17.744 1.00 13.42 H new ATOM 0 HA ARG A 27 21.858 -17.076 -19.615 1.00 2.22 H new ATOM 0 HB2 ARG A 27 21.604 -17.084 -16.610 1.00 75.21 H new ATOM 0 HB3 ARG A 27 23.190 -17.261 -17.334 1.00 75.21 H new ATOM 0 HG2 ARG A 27 21.329 -14.978 -18.060 1.00 55.10 H new ATOM 0 HG3 ARG A 27 22.442 -14.886 -16.709 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.507 -15.741 -19.394 1.00 52.24 H new ATOM 0 HD3 ARG A 27 23.139 -14.047 -19.142 1.00 52.24 H new ATOM 0 HE ARG A 27 24.662 -14.761 -16.913 1.00 31.33 H new ATOM 0 HH11 ARG A 27 25.043 -14.849 -20.421 1.00 21.44 H new ATOM 0 HH12 ARG A 27 26.797 -14.646 -20.352 1.00 21.44 H new ATOM 0 HH21 ARG A 27 26.914 -14.501 -16.830 1.00 63.22 H new ATOM 0 HH22 ARG A 27 27.852 -14.449 -18.326 1.00 63.22 H new ATOM 433 N ARG A 28 23.344 -19.186 -19.087 1.00 43.11 N ATOM 434 CA ARG A 28 23.947 -20.510 -19.181 1.00 2.52 C ATOM 435 C ARG A 28 24.252 -21.068 -17.794 1.00 22.11 C ATOM 436 O ARG A 28 23.641 -22.043 -17.357 1.00 62.24 O ATOM 437 CB ARG A 28 25.229 -20.452 -20.013 1.00 42.41 C ATOM 438 CG ARG A 28 24.996 -20.622 -21.505 1.00 2.52 C ATOM 439 CD ARG A 28 26.300 -20.859 -22.250 1.00 0.40 C ATOM 440 NE ARG A 28 27.323 -19.881 -21.888 1.00 0.25 N ATOM 441 CZ ARG A 28 27.288 -18.608 -22.265 1.00 3.54 C ATOM 442 NH1 ARG A 28 26.288 -18.161 -23.012 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 28.256 -17.778 -21.896 1.00 73.13 N ATOM 0 H ARG A 28 23.981 -18.417 -19.293 1.00 43.11 H new ATOM 0 HA ARG A 28 23.234 -21.173 -19.671 1.00 2.52 H new ATOM 0 HB2 ARG A 28 25.723 -19.496 -19.838 1.00 42.41 H new ATOM 0 HB3 ARG A 28 25.910 -21.230 -19.669 1.00 42.41 H new ATOM 0 HG2 ARG A 28 24.321 -21.461 -21.675 1.00 2.52 H new ATOM 0 HG3 ARG A 28 24.506 -19.733 -21.901 1.00 2.52 H new ATOM 0 HD2 ARG A 28 26.665 -21.863 -22.032 1.00 0.40 H new ATOM 0 HD3 ARG A 28 26.118 -20.812 -23.324 1.00 0.40 H new ATOM 0 HE ARG A 28 28.107 -20.193 -21.315 1.00 0.25 H new ATOM 0 HH11 ARG A 28 25.543 -18.795 -23.299 1.00 52.00 H new ATOM 0 HH12 ARG A 28 26.264 -17.183 -23.300 1.00 52.00 H new ATOM 0 HH21 ARG A 28 29.028 -18.118 -21.322 1.00 73.13 H new ATOM 0 HH22 ARG A 28 28.228 -16.801 -22.186 1.00 73.13 H new ATOM 457 N HIS A 29 25.203 -20.443 -17.107 1.00 34.43 N ATOM 458 CA HIS A 29 25.590 -20.877 -15.769 1.00 5.34 C ATOM 459 C HIS A 29 25.373 -19.760 -14.752 1.00 60.13 C ATOM 460 O HIS A 29 25.028 -20.017 -13.599 1.00 45.11 O ATOM 461 CB HIS A 29 27.054 -21.317 -15.756 1.00 0.11 C ATOM 462 CG HIS A 29 27.512 -21.837 -14.429 1.00 24.13 C ATOM 463 ND1 HIS A 29 27.552 -23.181 -14.120 1.00 73.30 N ATOM 464 CD2 HIS A 29 27.952 -21.186 -13.327 1.00 14.44 C ATOM 465 CE1 HIS A 29 27.995 -23.333 -12.885 1.00 50.01 C ATOM 466 NE2 HIS A 29 28.246 -22.138 -12.381 1.00 1.05 N ATOM 0 H HIS A 29 25.720 -19.635 -17.454 1.00 34.43 H new ATOM 0 HA HIS A 29 24.962 -21.724 -15.492 1.00 5.34 H new ATOM 0 HB2 HIS A 29 27.199 -22.091 -16.510 1.00 0.11 H new ATOM 0 HB3 HIS A 29 27.681 -20.472 -16.042 1.00 0.11 H new ATOM 0 HD2 HIS A 29 28.053 -20.117 -13.213 1.00 14.44 H new ATOM 0 HE1 HIS A 29 28.129 -24.275 -12.374 1.00 50.01 H new ATOM 0 HE2 HIS A 29 28.600 -21.952 -11.443 1.00 1.05 H new ATOM 474 N SER A 30 25.580 -18.522 -15.187 1.00 51.21 N ATOM 475 CA SER A 30 25.412 -17.366 -14.313 1.00 2.20 C ATOM 476 C SER A 30 23.946 -17.180 -13.936 1.00 21.10 C ATOM 477 O SER A 30 23.049 -17.426 -14.742 1.00 1.23 O ATOM 478 CB SER A 30 25.940 -16.103 -14.996 1.00 61.21 C ATOM 479 OG SER A 30 27.335 -15.960 -14.796 1.00 2.24 O ATOM 0 H SER A 30 25.864 -18.293 -16.139 1.00 51.21 H new ATOM 0 HA SER A 30 25.984 -17.543 -13.402 1.00 2.20 H new ATOM 0 HB2 SER A 30 25.725 -16.146 -16.064 1.00 61.21 H new ATOM 0 HB3 SER A 30 25.422 -15.229 -14.602 1.00 61.21 H new ATOM 0 HG SER A 30 27.594 -15.028 -14.951 1.00 2.24 H new ATOM 485 N PHE A 31 23.710 -16.742 -12.703 1.00 74.44 N ATOM 486 CA PHE A 31 22.353 -16.522 -12.217 1.00 15.34 C ATOM 487 C PHE A 31 21.628 -15.488 -13.074 1.00 41.21 C ATOM 488 O PHE A 31 22.149 -14.403 -13.326 1.00 41.32 O ATOM 489 CB PHE A 31 22.380 -16.063 -10.757 1.00 25.20 C ATOM 490 CG PHE A 31 22.989 -14.704 -10.568 1.00 42.32 C ATOM 491 CD1 PHE A 31 24.365 -14.549 -10.507 1.00 55.24 C ATOM 492 CD2 PHE A 31 22.187 -13.580 -10.450 1.00 32.25 C ATOM 493 CE1 PHE A 31 24.929 -13.299 -10.333 1.00 41.41 C ATOM 494 CE2 PHE A 31 22.745 -12.328 -10.277 1.00 32.13 C ATOM 495 CZ PHE A 31 24.118 -12.188 -10.216 1.00 42.13 C ATOM 0 H PHE A 31 24.441 -16.533 -12.023 1.00 74.44 H new ATOM 0 HA PHE A 31 21.812 -17.466 -12.284 1.00 15.34 H new ATOM 0 HB2 PHE A 31 21.362 -16.053 -10.369 1.00 25.20 H new ATOM 0 HB3 PHE A 31 22.940 -16.789 -10.167 1.00 25.20 H new ATOM 0 HD1 PHE A 31 25.004 -15.415 -10.596 1.00 55.24 H new ATOM 0 HD2 PHE A 31 21.113 -13.684 -10.494 1.00 32.25 H new ATOM 0 HE1 PHE A 31 26.003 -13.192 -10.289 1.00 41.41 H new ATOM 0 HE2 PHE A 31 22.109 -11.460 -10.190 1.00 32.13 H new ATOM 0 HZ PHE A 31 24.556 -11.211 -10.077 1.00 42.13 H new ATOM 505 N GLU A 32 20.424 -15.836 -13.518 1.00 14.44 N ATOM 506 CA GLU A 32 19.629 -14.938 -14.348 1.00 22.14 C ATOM 507 C GLU A 32 18.851 -13.947 -13.486 1.00 51.44 C ATOM 508 O GLU A 32 18.476 -14.252 -12.354 1.00 63.24 O ATOM 509 CB GLU A 32 18.662 -15.739 -15.222 1.00 52.23 C ATOM 510 CG GLU A 32 17.480 -16.311 -14.457 1.00 22.11 C ATOM 511 CD GLU A 32 16.977 -17.613 -15.048 1.00 4.05 C ATOM 512 OE1 GLU A 32 17.817 -18.463 -15.412 1.00 42.42 O ATOM 513 OE2 GLU A 32 15.743 -17.782 -15.148 1.00 23.41 O1- ATOM 0 H GLU A 32 19.979 -16.731 -13.317 1.00 14.44 H new ATOM 0 HA GLU A 32 20.310 -14.379 -14.990 1.00 22.14 H new ATOM 0 HB2 GLU A 32 18.291 -15.097 -16.021 1.00 52.23 H new ATOM 0 HB3 GLU A 32 19.206 -16.556 -15.697 1.00 52.23 H new ATOM 0 HG2 GLU A 32 17.769 -16.475 -13.419 1.00 22.11 H new ATOM 0 HG3 GLU A 32 16.669 -15.582 -14.450 1.00 22.11 H new ATOM 520 N VAL A 33 18.613 -12.758 -14.032 1.00 62.34 N ATOM 521 CA VAL A 33 17.880 -11.722 -13.315 1.00 22.01 C ATOM 522 C VAL A 33 16.916 -10.990 -14.241 1.00 53.22 C ATOM 523 O VAL A 33 16.873 -11.253 -15.444 1.00 65.03 O ATOM 524 CB VAL A 33 18.837 -10.698 -12.676 1.00 32.31 C ATOM 525 CG1 VAL A 33 19.872 -11.401 -11.811 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.510 -9.856 -13.749 1.00 64.44 C ATOM 0 H VAL A 33 18.917 -12.489 -14.968 1.00 62.34 H new ATOM 0 HA VAL A 33 17.315 -12.221 -12.528 1.00 22.01 H new ATOM 0 HB VAL A 33 18.256 -10.034 -12.037 1.00 32.31 H new ATOM 0 HG11 VAL A 33 20.539 -10.661 -11.368 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.368 -11.956 -11.019 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.451 -12.091 -12.425 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.182 -9.138 -13.280 1.00 64.44 H new ATOM 0 HG22 VAL A 33 20.079 -10.504 -14.416 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.752 -9.322 -14.321 1.00 64.44 H new ATOM 536 N CYS A 34 16.142 -10.070 -13.674 1.00 44.23 N ATOM 537 CA CYS A 34 15.177 -9.299 -14.448 1.00 2.34 C ATOM 538 C CYS A 34 15.886 -8.342 -15.403 1.00 74.42 C ATOM 539 O CYS A 34 16.889 -7.723 -15.048 1.00 63.45 O ATOM 540 CB CYS A 34 14.254 -8.514 -13.515 1.00 12.11 C ATOM 541 SG CYS A 34 13.547 -9.507 -12.161 1.00 33.54 S ATOM 0 H CYS A 34 16.165 -9.841 -12.680 1.00 44.23 H new ATOM 0 HA CYS A 34 14.580 -9.996 -15.036 1.00 2.34 H new ATOM 0 HB2 CYS A 34 14.811 -7.680 -13.087 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.440 -8.087 -14.101 1.00 12.11 H new ATOM 546 N VAL A 35 15.356 -8.227 -16.617 1.00 52.22 N ATOM 547 CA VAL A 35 15.936 -7.345 -17.623 1.00 73.22 C ATOM 548 C VAL A 35 14.862 -6.502 -18.300 1.00 34.14 C ATOM 549 O VAL A 35 13.685 -6.862 -18.335 1.00 74.20 O ATOM 550 CB VAL A 35 16.698 -8.144 -18.697 1.00 22.11 C ATOM 551 CG1 VAL A 35 18.055 -8.587 -18.171 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.877 -9.341 -19.153 1.00 13.23 C ATOM 0 H VAL A 35 14.527 -8.733 -16.927 1.00 52.22 H new ATOM 0 HA VAL A 35 16.635 -6.689 -17.104 1.00 73.22 H new ATOM 0 HB VAL A 35 16.863 -7.496 -19.558 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.579 -9.150 -18.944 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.643 -7.711 -17.899 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.917 -9.218 -17.293 1.00 55.34 H new ATOM 0 HG21 VAL A 35 16.431 -9.894 -19.912 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.679 -9.992 -18.302 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.932 -8.996 -19.573 1.00 13.23 H new ATOM 562 N PRO A 36 15.273 -5.350 -18.851 1.00 14.42 N ATOM 563 CA PRO A 36 14.361 -4.431 -19.538 1.00 15.12 C ATOM 564 C PRO A 36 13.855 -4.997 -20.861 1.00 33.54 C ATOM 565 O PRO A 36 14.645 -5.367 -21.731 1.00 61.25 O ATOM 566 CB PRO A 36 15.225 -3.191 -19.783 1.00 24.35 C ATOM 567 CG PRO A 36 16.624 -3.703 -19.810 1.00 33.43 C ATOM 568 CD PRO A 36 16.661 -4.857 -18.847 1.00 44.32 C ATOM 0 HA PRO A 36 13.464 -4.233 -18.952 1.00 15.12 H new ATOM 0 HB2 PRO A 36 14.963 -2.705 -20.723 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.089 -2.452 -18.994 1.00 24.35 H new ATOM 0 HG2 PRO A 36 16.903 -4.023 -20.814 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.330 -2.926 -19.516 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.362 -5.627 -19.169 1.00 44.32 H new ATOM 0 HD3 PRO A 36 16.972 -4.540 -17.852 1.00 44.32 H new ATOM 576 N ILE A 37 12.536 -5.061 -21.005 1.00 43.04 N ATOM 577 CA ILE A 37 11.926 -5.581 -22.223 1.00 30.13 C ATOM 578 C ILE A 37 12.056 -4.586 -23.371 1.00 62.14 C ATOM 579 O ILE A 37 11.768 -3.397 -23.230 1.00 13.55 O ATOM 580 CB ILE A 37 10.437 -5.911 -22.010 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.277 -6.960 -20.908 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.811 -6.398 -23.308 1.00 52.54 C ATOM 583 CD1 ILE A 37 8.999 -6.811 -20.112 1.00 30.21 C ATOM 0 H ILE A 37 11.869 -4.760 -20.294 1.00 43.04 H new ATOM 0 HA ILE A 37 12.460 -6.497 -22.477 1.00 30.13 H new ATOM 0 HB ILE A 37 9.920 -5.003 -21.699 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.302 -7.953 -21.357 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.128 -6.895 -20.230 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.759 -6.627 -23.141 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.897 -5.621 -24.067 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.328 -7.296 -23.647 1.00 52.54 H new ATOM 0 HD11 ILE A 37 8.953 -7.588 -19.349 1.00 30.21 H new ATOM 0 HD12 ILE A 37 8.980 -5.831 -19.634 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.142 -6.906 -20.779 1.00 30.21 H new ATOM 595 N PRO A 38 12.498 -5.081 -24.536 1.00 44.01 N ATOM 596 CA PRO A 38 12.674 -4.253 -25.733 1.00 45.20 C ATOM 597 C PRO A 38 11.344 -3.793 -26.320 1.00 54.33 C ATOM 598 O PRO A 38 10.423 -4.590 -26.496 1.00 60.25 O ATOM 599 CB PRO A 38 13.395 -5.186 -26.708 1.00 73.53 C ATOM 600 CG PRO A 38 13.014 -6.559 -26.270 1.00 4.32 C ATOM 601 CD PRO A 38 12.860 -6.488 -24.776 1.00 74.43 C ATOM 0 HA PRO A 38 13.222 -3.336 -25.517 1.00 45.20 H new ATOM 0 HB2 PRO A 38 13.087 -4.999 -27.737 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.475 -5.043 -26.668 1.00 73.53 H new ATOM 0 HG2 PRO A 38 12.085 -6.876 -26.744 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.778 -7.284 -26.550 1.00 4.32 H new ATOM 0 HD2 PRO A 38 12.087 -7.168 -24.419 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.783 -6.758 -24.264 1.00 74.43 H new ATOM 609 N GLY A 39 11.250 -2.502 -26.623 1.00 4.32 N ATOM 610 CA GLY A 39 10.028 -1.959 -27.187 1.00 65.10 C ATOM 611 C GLY A 39 8.937 -1.785 -26.150 1.00 13.00 C ATOM 612 O GLY A 39 7.816 -1.394 -26.477 1.00 24.44 O ATOM 0 H GLY A 39 11.998 -1.822 -26.488 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.242 -0.995 -27.650 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.672 -2.620 -27.977 1.00 65.10 H new ATOM 616 N PHE A 40 9.264 -2.077 -24.895 1.00 1.42 N ATOM 617 CA PHE A 40 8.302 -1.953 -23.806 1.00 63.23 C ATOM 618 C PHE A 40 7.743 -0.535 -23.732 1.00 75.24 C ATOM 619 O PHE A 40 8.446 0.437 -24.010 1.00 4.41 O ATOM 620 CB PHE A 40 8.957 -2.325 -22.474 1.00 21.42 C ATOM 621 CG PHE A 40 8.201 -1.829 -21.275 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.016 -2.434 -20.888 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.674 -0.757 -20.536 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.318 -1.979 -19.784 1.00 25.44 C ATOM 625 CE2 PHE A 40 7.981 -0.299 -19.432 1.00 1.00 C ATOM 626 CZ PHE A 40 6.801 -0.910 -19.056 1.00 62.30 C ATOM 0 H PHE A 40 10.187 -2.401 -24.607 1.00 1.42 H new ATOM 0 HA PHE A 40 7.478 -2.639 -24.003 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.048 -3.410 -22.413 1.00 21.42 H new ATOM 0 HB3 PHE A 40 9.968 -1.919 -22.450 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.633 -3.270 -21.455 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.595 -0.274 -20.826 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.396 -2.460 -19.492 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.362 0.536 -18.863 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.257 -0.552 -18.194 1.00 62.30 H new ATOM 636 N CYS A 41 6.473 -0.425 -23.357 1.00 41.12 N ATOM 637 CA CYS A 41 5.818 0.873 -23.247 1.00 52.51 C ATOM 638 C CYS A 41 4.640 0.807 -22.278 1.00 43.12 C ATOM 639 O CYS A 41 4.456 -0.187 -21.574 1.00 21.44 O ATOM 640 CB CYS A 41 5.336 1.342 -24.621 1.00 65.44 C ATOM 641 SG CYS A 41 3.997 0.328 -25.326 1.00 51.34 S ATOM 0 H CYS A 41 5.877 -1.219 -23.124 1.00 41.12 H new ATOM 0 HA CYS A 41 6.545 1.588 -22.861 1.00 52.51 H new ATOM 0 HB2 CYS A 41 4.992 2.373 -24.541 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.180 1.340 -25.310 1.00 65.44 H new ATOM 646 N LEU A 42 3.846 1.872 -22.248 1.00 12.45 N ATOM 647 CA LEU A 42 2.686 1.936 -21.366 1.00 22.41 C ATOM 648 C LEU A 42 1.418 2.242 -22.157 1.00 51.03 C ATOM 649 O LEU A 42 1.469 2.487 -23.362 1.00 23.33 O ATOM 650 CB LEU A 42 2.898 3.000 -20.288 1.00 3.12 C ATOM 651 CG LEU A 42 4.266 3.001 -19.606 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.390 4.184 -18.658 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.491 1.693 -18.861 1.00 64.35 C ATOM 0 H LEU A 42 3.984 2.702 -22.824 1.00 12.45 H new ATOM 0 HA LEU A 42 2.569 0.963 -20.889 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.737 3.980 -20.737 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.133 2.871 -19.523 1.00 3.12 H new ATOM 0 HG LEU A 42 5.033 3.096 -20.374 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.370 4.168 -18.182 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.274 5.112 -19.217 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.615 4.121 -17.894 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.470 1.711 -18.382 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.718 1.568 -18.103 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.447 0.861 -19.564 1.00 64.35 H new ATOM 665 N VAL A 43 0.280 2.228 -21.469 1.00 43.30 N ATOM 666 CA VAL A 43 -1.001 2.507 -22.106 1.00 31.01 C ATOM 667 C VAL A 43 -1.634 3.772 -21.536 1.00 54.02 C ATOM 668 O VAL A 43 -1.037 4.459 -20.707 1.00 1.44 O ATOM 669 CB VAL A 43 -1.982 1.333 -21.931 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.502 0.116 -22.707 1.00 24.03 C ATOM 671 CG2 VAL A 43 -2.158 1.000 -20.457 1.00 2.01 C ATOM 0 H VAL A 43 0.220 2.026 -20.471 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.802 2.650 -23.168 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.952 1.630 -22.331 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -2.208 -0.704 -22.571 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.433 0.364 -23.766 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.521 -0.186 -22.340 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.855 0.168 -20.353 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -1.195 0.723 -20.029 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.551 1.870 -19.932 1.00 2.01 H new ATOM 681 N LYS A 44 -2.846 4.075 -21.987 1.00 2.34 N ATOM 682 CA LYS A 44 -3.563 5.257 -21.522 1.00 53.21 C ATOM 683 C LYS A 44 -4.263 4.982 -20.195 1.00 52.14 C ATOM 684 O LYS A 44 -4.967 5.841 -19.665 1.00 22.22 O ATOM 685 CB LYS A 44 -4.587 5.702 -22.569 1.00 61.32 C ATOM 686 CG LYS A 44 -5.672 4.673 -22.835 1.00 71.24 C ATOM 687 CD LYS A 44 -5.490 4.009 -24.189 1.00 71.12 C ATOM 688 CE LYS A 44 -6.778 3.354 -24.666 1.00 11.52 C ATOM 689 NZ LYS A 44 -6.541 2.437 -25.815 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.353 3.518 -22.675 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.837 6.056 -21.370 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -5.052 6.631 -22.238 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.068 5.920 -23.502 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.656 3.915 -22.052 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.649 5.154 -22.793 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -5.166 4.751 -24.919 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -4.701 3.259 -24.125 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -7.228 2.798 -23.844 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.491 4.125 -24.958 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -7.442 2.011 -26.111 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -6.135 2.973 -26.608 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -5.880 1.686 -25.530 1.00 43.31 H new ATOM 703 N TRP A 45 -4.064 3.781 -19.665 1.00 61.52 N ATOM 704 CA TRP A 45 -4.675 3.394 -18.398 1.00 74.50 C ATOM 705 C TRP A 45 -3.617 2.939 -17.399 1.00 42.02 C ATOM 706 O TRP A 45 -3.932 2.307 -16.391 1.00 73.52 O ATOM 707 CB TRP A 45 -5.697 2.277 -18.622 1.00 42.20 C ATOM 708 CG TRP A 45 -6.818 2.672 -19.534 1.00 43.15 C ATOM 709 CD1 TRP A 45 -7.075 2.174 -20.780 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.832 3.648 -19.273 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.188 2.783 -21.309 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.672 3.690 -20.404 1.00 25.41 C ATOM 713 CE3 TRP A 45 -8.115 4.490 -18.194 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.771 4.541 -20.484 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.206 5.333 -18.275 1.00 34.23 C ATOM 716 CH2 TRP A 45 -10.024 5.354 -19.412 1.00 24.53 C ATOM 0 H TRP A 45 -3.485 3.058 -20.092 1.00 61.52 H new ATOM 0 HA TRP A 45 -5.184 4.266 -17.987 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -5.189 1.407 -19.038 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -6.110 1.974 -17.660 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.490 1.414 -21.276 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.589 2.591 -22.227 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.491 4.482 -17.312 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.402 4.559 -21.361 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.433 5.988 -17.447 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.870 6.024 -19.443 1.00 24.53 H new ATOM 727 N LYS A 46 -2.361 3.265 -17.685 1.00 42.21 N ATOM 728 CA LYS A 46 -1.256 2.891 -16.811 1.00 51.21 C ATOM 729 C LYS A 46 -0.620 4.126 -16.180 1.00 0.41 C ATOM 730 O LYS A 46 -0.604 5.201 -16.779 1.00 73.52 O ATOM 731 CB LYS A 46 -0.201 2.106 -17.595 1.00 62.45 C ATOM 732 CG LYS A 46 -0.523 0.628 -17.734 1.00 61.44 C ATOM 733 CD LYS A 46 0.314 -0.216 -16.788 1.00 44.12 C ATOM 734 CE LYS A 46 0.686 -1.552 -17.413 1.00 21.31 C ATOM 735 NZ LYS A 46 1.395 -2.438 -16.449 1.00 41.31 N1+ ATOM 0 H LYS A 46 -2.083 3.788 -18.516 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.653 2.260 -16.015 1.00 51.21 H new ATOM 0 HB2 LYS A 46 -0.099 2.542 -18.589 1.00 62.45 H new ATOM 0 HB3 LYS A 46 0.764 2.214 -17.099 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.581 0.464 -17.530 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.344 0.311 -18.761 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.221 0.327 -16.520 1.00 44.12 H new ATOM 0 HD3 LYS A 46 -0.240 -0.387 -15.865 1.00 44.12 H new ATOM 0 HE2 LYS A 46 -0.216 -2.050 -17.768 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.320 -1.382 -18.283 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 1.631 -3.338 -16.914 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 2.269 -1.974 -16.129 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 0.781 -2.622 -15.630 1.00 41.31 H new ATOM 749 N GLN A 47 -0.097 3.963 -14.969 1.00 64.53 N ATOM 750 CA GLN A 47 0.540 5.065 -14.258 1.00 74.13 C ATOM 751 C GLN A 47 1.666 5.671 -15.090 1.00 13.14 C ATOM 752 O GLN A 47 2.420 4.955 -15.750 1.00 23.10 O ATOM 753 CB GLN A 47 1.087 4.584 -12.913 1.00 24.11 C ATOM 754 CG GLN A 47 0.179 4.904 -11.737 1.00 62.21 C ATOM 755 CD GLN A 47 0.336 3.922 -10.594 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.177 3.024 -10.642 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.476 4.086 -9.556 1.00 45.00 N ATOM 0 H GLN A 47 -0.102 3.079 -14.460 1.00 64.53 H new ATOM 0 HA GLN A 47 -0.212 5.834 -14.082 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.243 3.506 -12.958 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.062 5.040 -12.743 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.396 5.910 -11.379 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.858 4.902 -12.073 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.159 4.844 -9.557 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.417 3.454 -8.757 1.00 45.00 H new ATOM 766 N CYS A 48 1.773 6.995 -15.056 1.00 31.24 N ATOM 767 CA CYS A 48 2.805 7.699 -15.807 1.00 22.31 C ATOM 768 C CYS A 48 3.939 8.145 -14.888 1.00 55.30 C ATOM 769 O CYS A 48 5.049 8.422 -15.343 1.00 50.32 O ATOM 770 CB CYS A 48 2.207 8.912 -16.523 1.00 73.10 C ATOM 771 SG CYS A 48 1.940 10.355 -15.443 1.00 25.31 S ATOM 0 H CYS A 48 1.157 7.602 -14.516 1.00 31.24 H new ATOM 0 HA CYS A 48 3.211 7.011 -16.549 1.00 22.31 H new ATOM 0 HB2 CYS A 48 2.868 9.201 -17.340 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.255 8.624 -16.969 1.00 73.10 H new ATOM 776 N ASP A 49 3.651 8.212 -13.593 1.00 45.13 N ATOM 777 CA ASP A 49 4.645 8.623 -12.608 1.00 34.44 C ATOM 778 C ASP A 49 5.937 7.828 -12.776 1.00 31.03 C ATOM 779 O ASP A 49 5.951 6.608 -12.622 1.00 25.13 O ATOM 780 CB ASP A 49 4.099 8.438 -11.192 1.00 20.02 C ATOM 781 CG ASP A 49 5.154 8.672 -10.129 1.00 23.14 C ATOM 782 OD1 ASP A 49 5.980 7.763 -9.902 1.00 41.44 O ATOM 783 OD2 ASP A 49 5.155 9.765 -9.525 1.00 10.54 O1- ATOM 0 H ASP A 49 2.737 7.987 -13.201 1.00 45.13 H new ATOM 0 HA ASP A 49 4.865 9.678 -12.769 1.00 34.44 H new ATOM 0 HB2 ASP A 49 3.269 9.126 -11.033 1.00 20.02 H new ATOM 0 HB3 ASP A 49 3.701 7.429 -11.088 1.00 20.02 H new ATOM 788 N GLY A 50 7.020 8.530 -13.095 1.00 64.44 N ATOM 789 CA GLY A 50 8.301 7.873 -13.280 1.00 42.12 C ATOM 790 C GLY A 50 8.531 7.446 -14.716 1.00 40.31 C ATOM 791 O GLY A 50 9.667 7.426 -15.191 1.00 15.21 O ATOM 0 H GLY A 50 7.033 9.541 -13.229 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.100 8.548 -12.972 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.355 6.999 -12.631 1.00 42.12 H new ATOM 795 N ARG A 51 7.451 7.101 -15.410 1.00 1.11 N ATOM 796 CA ARG A 51 7.541 6.668 -16.799 1.00 3.05 C ATOM 797 C ARG A 51 6.913 7.701 -17.731 1.00 2.25 C ATOM 798 O ARG A 51 6.251 7.348 -18.706 1.00 3.34 O ATOM 799 CB ARG A 51 6.850 5.315 -16.980 1.00 51.11 C ATOM 800 CG ARG A 51 7.601 4.158 -16.342 1.00 20.31 C ATOM 801 CD ARG A 51 7.396 4.124 -14.836 1.00 11.03 C ATOM 802 NE ARG A 51 7.849 2.865 -14.250 1.00 71.21 N ATOM 803 CZ ARG A 51 9.125 2.583 -14.013 1.00 71.51 C ATOM 804 NH1 ARG A 51 10.069 3.465 -14.310 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 9.459 1.416 -13.477 1.00 71.12 N ATOM 0 H ARG A 51 6.503 7.113 -15.033 1.00 1.11 H new ATOM 0 HA ARG A 51 8.596 6.566 -17.054 1.00 3.05 H new ATOM 0 HB2 ARG A 51 5.849 5.368 -16.552 1.00 51.11 H new ATOM 0 HB3 ARG A 51 6.731 5.117 -18.045 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.262 3.218 -16.778 1.00 20.31 H new ATOM 0 HG3 ARG A 51 8.665 4.247 -16.564 1.00 20.31 H new ATOM 0 HD2 ARG A 51 7.937 4.952 -14.378 1.00 11.03 H new ATOM 0 HD3 ARG A 51 6.340 4.269 -14.611 1.00 11.03 H new ATOM 0 HE ARG A 51 7.147 2.165 -14.010 1.00 71.21 H new ATOM 0 HH11 ARG A 51 9.816 4.363 -14.722 1.00 5.32 H new ATOM 0 HH12 ARG A 51 11.048 3.245 -14.127 1.00 5.32 H new ATOM 0 HH21 ARG A 51 8.736 0.735 -13.247 1.00 71.12 H new ATOM 0 HH22 ARG A 51 10.439 1.200 -13.295 1.00 71.12 H new ATOM 819 N GLU A 52 7.127 8.976 -17.424 1.00 24.42 N ATOM 820 CA GLU A 52 6.581 10.059 -18.233 1.00 31.15 C ATOM 821 C GLU A 52 7.133 10.007 -19.655 1.00 45.14 C ATOM 822 O GLU A 52 6.576 10.612 -20.571 1.00 54.45 O ATOM 823 CB GLU A 52 6.903 11.413 -17.599 1.00 70.10 C ATOM 824 CG GLU A 52 8.380 11.767 -17.637 1.00 13.21 C ATOM 825 CD GLU A 52 8.763 12.788 -16.583 1.00 41.43 C ATOM 826 OE1 GLU A 52 8.294 12.659 -15.433 1.00 51.44 O1- ATOM 827 OE2 GLU A 52 9.532 13.716 -16.909 1.00 61.42 O ATOM 0 H GLU A 52 7.675 9.284 -16.621 1.00 24.42 H new ATOM 0 HA GLU A 52 5.499 9.935 -18.276 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.338 12.190 -18.115 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.566 11.409 -16.563 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.970 10.862 -17.492 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.631 12.157 -18.623 1.00 13.21 H new ATOM 834 N ARG A 53 8.232 9.280 -19.830 1.00 4.13 N ATOM 835 CA ARG A 53 8.862 9.150 -21.139 1.00 53.25 C ATOM 836 C ARG A 53 9.039 7.682 -21.514 1.00 61.40 C ATOM 837 O ARG A 53 9.916 7.334 -22.304 1.00 72.20 O ATOM 838 CB ARG A 53 10.218 9.857 -21.148 1.00 72.43 C ATOM 839 CG ARG A 53 10.161 11.291 -20.649 1.00 65.33 C ATOM 840 CD ARG A 53 11.318 12.117 -21.191 1.00 3.24 C ATOM 841 NE ARG A 53 12.613 11.580 -20.780 1.00 34.41 N ATOM 842 CZ ARG A 53 13.774 12.036 -21.235 1.00 52.53 C ATOM 843 NH1 ARG A 53 13.803 13.031 -22.111 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 14.911 11.496 -20.814 1.00 14.35 N ATOM 0 H ARG A 53 8.704 8.772 -19.082 1.00 4.13 H new ATOM 0 HA ARG A 53 8.210 9.619 -21.876 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.916 9.293 -20.529 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.615 9.850 -22.163 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.217 11.745 -20.950 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.186 11.299 -19.559 1.00 65.33 H new ATOM 0 HD2 ARG A 53 11.266 12.144 -22.279 1.00 3.24 H new ATOM 0 HD3 ARG A 53 11.224 13.145 -20.842 1.00 3.24 H new ATOM 0 HE ARG A 53 12.626 10.813 -20.107 1.00 34.41 H new ATOM 0 HH11 ARG A 53 12.932 13.449 -22.437 1.00 75.13 H new ATOM 0 HH12 ARG A 53 14.697 13.379 -22.458 1.00 75.13 H new ATOM 0 HH21 ARG A 53 14.893 10.730 -20.141 1.00 14.35 H new ATOM 0 HH22 ARG A 53 15.803 11.847 -21.164 1.00 14.35 H new ATOM 858 N ASP A 54 8.200 6.825 -20.941 1.00 54.44 N ATOM 859 CA ASP A 54 8.263 5.394 -21.215 1.00 31.21 C ATOM 860 C ASP A 54 7.005 4.923 -21.936 1.00 61.13 C ATOM 861 O ASP A 54 7.016 3.901 -22.624 1.00 60.01 O ATOM 862 CB ASP A 54 8.443 4.612 -19.913 1.00 61.24 C ATOM 863 CG ASP A 54 9.518 3.548 -20.021 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.252 2.498 -20.643 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.624 3.764 -19.483 1.00 42.13 O ATOM 0 H ASP A 54 7.469 7.097 -20.284 1.00 54.44 H new ATOM 0 HA ASP A 54 9.121 5.210 -21.862 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.699 5.303 -19.110 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.498 4.143 -19.641 1.00 61.24 H new ATOM 870 N CYS A 55 5.920 5.673 -21.774 1.00 51.44 N ATOM 871 CA CYS A 55 4.652 5.333 -22.409 1.00 52.31 C ATOM 872 C CYS A 55 4.841 5.084 -23.902 1.00 63.35 C ATOM 873 O CYS A 55 5.889 5.395 -24.468 1.00 61.14 O ATOM 874 CB CYS A 55 3.632 6.453 -22.192 1.00 15.01 C ATOM 875 SG CYS A 55 3.366 6.887 -20.443 1.00 50.34 S ATOM 0 H CYS A 55 5.893 6.521 -21.208 1.00 51.44 H new ATOM 0 HA CYS A 55 4.279 4.417 -21.950 1.00 52.31 H new ATOM 0 HB2 CYS A 55 3.964 7.341 -22.729 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.680 6.153 -22.630 1.00 15.01 H new ATOM 880 N CYS A 56 3.818 4.520 -24.536 1.00 32.14 N ATOM 881 CA CYS A 56 3.869 4.228 -25.963 1.00 3.14 C ATOM 882 C CYS A 56 3.911 5.516 -26.781 1.00 52.12 C ATOM 883 O CYS A 56 3.900 6.615 -26.227 1.00 1.22 O ATOM 884 CB CYS A 56 2.659 3.388 -26.377 1.00 72.45 C ATOM 885 SG CYS A 56 2.978 1.595 -26.418 1.00 3.31 S ATOM 0 H CYS A 56 2.943 4.256 -24.083 1.00 32.14 H new ATOM 0 HA CYS A 56 4.780 3.663 -26.160 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.840 3.585 -25.685 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.327 3.710 -27.364 1.00 72.45 H new ATOM 890 N ALA A 57 3.960 5.371 -28.101 1.00 24.11 N ATOM 891 CA ALA A 57 4.001 6.522 -28.995 1.00 42.23 C ATOM 892 C ALA A 57 2.650 7.226 -29.047 1.00 72.42 C ATOM 893 O ALA A 57 1.626 6.604 -29.328 1.00 32.44 O ATOM 894 CB ALA A 57 4.429 6.091 -30.390 1.00 3.21 C ATOM 0 H ALA A 57 3.972 4.468 -28.575 1.00 24.11 H new ATOM 0 HA ALA A 57 4.733 7.229 -28.604 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.455 6.960 -31.047 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.421 5.641 -30.344 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.718 5.363 -30.780 1.00 3.21 H new ATOM 900 N GLY A 58 2.654 8.527 -28.773 1.00 45.51 N ATOM 901 CA GLY A 58 1.421 9.293 -28.794 1.00 33.35 C ATOM 902 C GLY A 58 0.879 9.556 -27.403 1.00 32.21 C ATOM 903 O GLY A 58 0.074 10.467 -27.204 1.00 4.20 O ATOM 0 H GLY A 58 3.488 9.064 -28.537 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.596 10.243 -29.298 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.673 8.756 -29.377 1.00 33.35 H new ATOM 907 N LEU A 59 1.318 8.756 -26.438 1.00 62.12 N ATOM 908 CA LEU A 59 0.870 8.905 -25.057 1.00 12.44 C ATOM 909 C LEU A 59 1.640 10.017 -24.352 1.00 51.41 C ATOM 910 O LEU A 59 2.596 10.565 -24.899 1.00 13.31 O ATOM 911 CB LEU A 59 1.044 7.588 -24.299 1.00 0.22 C ATOM 912 CG LEU A 59 -0.014 6.516 -24.564 1.00 50.25 C ATOM 913 CD1 LEU A 59 0.294 5.255 -23.773 1.00 1.55 C ATOM 914 CD2 LEU A 59 -1.401 7.039 -24.219 1.00 50.20 C ATOM 0 H LEU A 59 1.984 7.997 -26.586 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.187 9.172 -25.070 1.00 12.44 H new ATOM 0 HB2 LEU A 59 2.021 7.175 -24.548 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.053 7.805 -23.231 1.00 0.22 H new ATOM 0 HG LEU A 59 0.005 6.268 -25.625 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -0.470 4.504 -23.974 1.00 1.55 H new ATOM 0 HD12 LEU A 59 1.270 4.869 -24.069 1.00 1.55 H new ATOM 0 HD13 LEU A 59 0.303 5.487 -22.708 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -2.141 6.263 -24.414 1.00 50.20 H new ATOM 0 HD22 LEU A 59 -1.434 7.316 -23.165 1.00 50.20 H new ATOM 0 HD23 LEU A 59 -1.623 7.914 -24.831 1.00 50.20 H new ATOM 926 N GLU A 60 1.218 10.342 -23.134 1.00 13.01 N ATOM 927 CA GLU A 60 1.870 11.387 -22.354 1.00 5.33 C ATOM 928 C GLU A 60 1.493 11.281 -20.879 1.00 35.33 C ATOM 929 O GLU A 60 0.454 10.719 -20.531 1.00 50.25 O ATOM 930 CB GLU A 60 1.488 12.768 -22.891 1.00 50.33 C ATOM 931 CG GLU A 60 0.031 13.132 -22.654 1.00 41.10 C ATOM 932 CD GLU A 60 -0.539 14.004 -23.756 1.00 3.12 C ATOM 933 OE1 GLU A 60 0.257 14.587 -24.522 1.00 52.34 O ATOM 934 OE2 GLU A 60 -1.780 14.103 -23.853 1.00 2.21 O1- ATOM 0 H GLU A 60 0.428 9.897 -22.667 1.00 13.01 H new ATOM 0 HA GLU A 60 2.948 11.254 -22.446 1.00 5.33 H new ATOM 0 HB2 GLU A 60 2.123 13.519 -22.421 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.693 12.802 -23.961 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.560 12.219 -22.576 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.059 13.653 -21.701 1.00 41.10 H new ATOM 941 N CYS A 61 2.344 11.824 -20.016 1.00 32.21 N ATOM 942 CA CYS A 61 2.103 11.790 -18.579 1.00 32.23 C ATOM 943 C CYS A 61 0.896 12.648 -18.209 1.00 41.14 C ATOM 944 O CYS A 61 1.022 13.853 -17.993 1.00 25.31 O ATOM 945 CB CYS A 61 3.340 12.277 -17.821 1.00 74.11 C ATOM 946 SG CYS A 61 3.446 11.676 -16.105 1.00 3.45 S ATOM 0 H CYS A 61 3.208 12.294 -20.287 1.00 32.21 H new ATOM 0 HA CYS A 61 1.894 10.758 -18.296 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.232 11.960 -18.361 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.342 13.367 -17.814 1.00 74.11 H new ATOM 951 N TRP A 62 -0.270 12.017 -18.139 1.00 31.21 N ATOM 952 CA TRP A 62 -1.500 12.722 -17.795 1.00 62.54 C ATOM 953 C TRP A 62 -1.567 13.002 -16.298 1.00 11.34 C ATOM 954 O TRP A 62 -1.343 12.110 -15.479 1.00 63.25 O ATOM 955 CB TRP A 62 -2.719 11.906 -18.229 1.00 22.53 C ATOM 956 CG TRP A 62 -3.955 12.734 -18.409 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.042 14.097 -18.370 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.281 12.253 -18.654 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.342 14.491 -18.576 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.121 13.379 -18.754 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.840 10.980 -18.800 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.488 13.268 -18.992 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.197 10.872 -19.036 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.009 12.010 -19.131 1.00 43.24 C ATOM 0 H TRP A 62 -0.390 11.020 -18.316 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.503 13.675 -18.324 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.492 11.397 -19.166 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -2.913 11.133 -17.485 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.211 14.766 -18.202 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.673 15.456 -18.594 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.222 10.097 -18.730 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.116 14.144 -19.064 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.640 9.893 -19.149 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.066 11.892 -19.317 1.00 43.24 H new ATOM 975 N LYS A 63 -1.877 14.245 -15.946 1.00 23.40 N ATOM 976 CA LYS A 63 -1.976 14.642 -14.546 1.00 52.14 C ATOM 977 C LYS A 63 -3.430 14.660 -14.087 1.00 24.33 C ATOM 978 O LYS A 63 -4.158 15.621 -14.337 1.00 41.02 O ATOM 979 CB LYS A 63 -1.348 16.023 -14.341 1.00 44.12 C ATOM 980 CG LYS A 63 -0.707 16.203 -12.976 1.00 53.51 C ATOM 981 CD LYS A 63 -1.684 16.801 -11.977 1.00 4.40 C ATOM 982 CE LYS A 63 -1.910 18.282 -12.236 1.00 40.12 C ATOM 983 NZ LYS A 63 -2.525 18.963 -11.063 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.064 14.995 -16.611 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.434 13.910 -13.947 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.595 16.188 -15.111 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.115 16.785 -14.476 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.354 15.239 -12.609 1.00 53.51 H new ATOM 0 HG3 LYS A 63 0.166 16.850 -13.065 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -2.635 16.271 -12.035 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -1.303 16.662 -10.965 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -0.959 18.758 -12.475 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -2.555 18.404 -13.106 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -2.663 19.971 -11.280 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -3.444 18.526 -10.850 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -1.898 18.869 -10.239 1.00 71.35 H new ATOM 997 N ARG A 64 -3.846 13.593 -13.413 1.00 23.41 N ATOM 998 CA ARG A 64 -5.213 13.487 -12.918 1.00 20.52 C ATOM 999 C ARG A 64 -5.233 13.349 -11.398 1.00 15.01 C ATOM 1000 O ARG A 64 -4.595 12.458 -10.838 1.00 71.20 O ATOM 1001 CB ARG A 64 -5.918 12.290 -13.558 1.00 61.21 C ATOM 1002 CG ARG A 64 -6.887 12.674 -14.665 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.110 11.523 -15.634 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.429 10.918 -15.470 1.00 4.33 N ATOM 1005 CZ ARG A 64 -9.556 11.490 -15.880 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -9.524 12.674 -16.475 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -10.718 10.876 -15.695 1.00 55.42 N ATOM 0 H ARG A 64 -3.256 12.790 -13.197 1.00 23.41 H new ATOM 0 HA ARG A 64 -5.742 14.400 -13.189 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.168 11.611 -13.963 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.460 11.743 -12.786 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -7.840 12.973 -14.228 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.499 13.537 -15.206 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.001 11.884 -16.657 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.342 10.765 -15.480 1.00 21.45 H new ATOM 0 HE ARG A 64 -8.488 10.007 -15.016 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -8.633 13.148 -16.619 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -10.391 13.111 -16.789 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.746 9.965 -15.238 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -11.583 11.316 -16.010 1.00 55.42 H new ATOM 1021 N SER A 65 -5.968 14.238 -10.738 1.00 20.12 N ATOM 1022 CA SER A 65 -6.067 14.219 -9.283 1.00 63.33 C ATOM 1023 C SER A 65 -7.522 14.326 -8.836 1.00 1.01 C ATOM 1024 O SER A 65 -8.302 15.092 -9.400 1.00 23.41 O ATOM 1025 CB SER A 65 -5.251 15.364 -8.680 1.00 25.02 C ATOM 1026 OG SER A 65 -5.705 16.619 -9.156 1.00 51.35 O ATOM 0 H SER A 65 -6.504 14.981 -11.187 1.00 20.12 H new ATOM 0 HA SER A 65 -5.665 13.270 -8.929 1.00 63.33 H new ATOM 0 HB2 SER A 65 -5.326 15.335 -7.593 1.00 25.02 H new ATOM 0 HB3 SER A 65 -4.198 15.236 -8.931 1.00 25.02 H new ATOM 0 HG SER A 65 -5.169 17.334 -8.755 1.00 51.35 H new ATOM 1032 N GLY A 66 -7.880 13.550 -7.818 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.240 13.572 -7.311 1.00 32.50 C ATOM 1034 C GLY A 66 -9.978 12.274 -7.576 1.00 23.21 C ATOM 1035 O GLY A 66 -10.891 11.910 -6.836 1.00 21.34 O ATOM 0 H GLY A 66 -7.253 12.907 -7.335 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -9.222 13.764 -6.238 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -9.783 14.396 -7.773 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.583 11.576 -8.636 1.00 74.50 N ATOM 1040 CA ASN A 67 -10.215 10.313 -8.998 1.00 52.31 C ATOM 1041 C ASN A 67 -9.244 9.149 -8.824 1.00 13.21 C ATOM 1042 O ASN A 67 -9.567 8.146 -8.188 1.00 42.14 O ATOM 1043 CB ASN A 67 -10.714 10.364 -10.443 1.00 3.14 C ATOM 1044 CG ASN A 67 -12.000 11.154 -10.584 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -13.026 10.800 -10.003 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -11.951 12.232 -11.358 1.00 50.12 N ATOM 0 H ASN A 67 -8.828 11.864 -9.259 1.00 74.50 H new ATOM 0 HA ASN A 67 -11.064 10.157 -8.333 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -9.946 10.811 -11.074 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.873 9.348 -10.805 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -12.785 12.804 -11.490 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -11.079 12.488 -11.821 1.00 50.12 H new ATOM 1053 N LYS A 68 -8.052 9.291 -9.393 1.00 13.24 N ATOM 1054 CA LYS A 68 -7.031 8.253 -9.300 1.00 70.13 C ATOM 1055 C LYS A 68 -5.633 8.860 -9.356 1.00 24.21 C ATOM 1056 O LYS A 68 -5.476 10.080 -9.388 1.00 24.20 O ATOM 1057 CB LYS A 68 -7.203 7.237 -10.431 1.00 61.12 C ATOM 1058 CG LYS A 68 -8.464 6.398 -10.309 1.00 42.15 C ATOM 1059 CD LYS A 68 -8.393 5.455 -9.120 1.00 51.10 C ATOM 1060 CE LYS A 68 -8.010 4.047 -9.548 1.00 54.14 C ATOM 1061 NZ LYS A 68 -6.535 3.886 -9.671 1.00 5.22 N1+ ATOM 0 H LYS A 68 -7.769 10.115 -9.924 1.00 13.24 H new ATOM 0 HA LYS A 68 -7.150 7.745 -8.343 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.220 7.766 -11.384 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -6.337 6.575 -10.449 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -9.329 7.053 -10.204 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.609 5.822 -11.223 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -7.664 5.829 -8.401 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -9.358 5.433 -8.614 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -8.394 3.330 -8.823 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -8.481 3.817 -10.504 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -6.304 2.878 -9.780 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -6.197 4.411 -10.503 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -6.073 4.257 -8.816 1.00 5.22 H new ATOM 1075 N SER A 69 -4.620 7.999 -9.368 1.00 71.50 N ATOM 1076 CA SER A 69 -3.234 8.450 -9.417 1.00 14.31 C ATOM 1077 C SER A 69 -2.881 8.969 -10.808 1.00 24.23 C ATOM 1078 O SER A 69 -3.709 8.950 -11.719 1.00 73.23 O ATOM 1079 CB SER A 69 -2.290 7.310 -9.031 1.00 24.24 C ATOM 1080 OG SER A 69 -2.139 7.227 -7.625 1.00 64.42 O ATOM 0 H SER A 69 -4.733 6.986 -9.344 1.00 71.50 H new ATOM 0 HA SER A 69 -3.118 9.265 -8.703 1.00 14.31 H new ATOM 0 HB2 SER A 69 -2.678 6.366 -9.414 1.00 24.24 H new ATOM 0 HB3 SER A 69 -1.317 7.467 -9.496 1.00 24.24 H new ATOM 0 HG SER A 69 -1.532 6.490 -7.404 1.00 64.42 H new ATOM 1086 N SER A 70 -1.645 9.433 -10.964 1.00 24.02 N ATOM 1087 CA SER A 70 -1.182 9.961 -12.242 1.00 70.11 C ATOM 1088 C SER A 70 -1.091 8.853 -13.286 1.00 12.53 C ATOM 1089 O SER A 70 -0.330 7.898 -13.130 1.00 34.55 O ATOM 1090 CB SER A 70 0.182 10.634 -12.075 1.00 35.12 C ATOM 1091 OG SER A 70 1.225 9.675 -12.055 1.00 4.53 O ATOM 0 H SER A 70 -0.946 9.454 -10.221 1.00 24.02 H new ATOM 0 HA SER A 70 -1.905 10.701 -12.585 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.346 11.337 -12.891 1.00 35.12 H new ATOM 0 HB3 SER A 70 0.196 11.210 -11.150 1.00 35.12 H new ATOM 0 HG SER A 70 0.841 8.774 -12.089 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.873 8.988 -14.353 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.881 8.000 -15.425 1.00 51.23 C ATOM 1099 C VAL A 71 -1.446 8.621 -16.748 1.00 35.12 C ATOM 1100 O VAL A 71 -1.174 9.820 -16.824 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.277 7.373 -15.599 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.605 6.466 -14.423 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.332 8.457 -15.758 1.00 25.23 C ATOM 0 H VAL A 71 -2.509 9.772 -14.498 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.173 7.221 -15.143 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.274 6.767 -16.505 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.595 6.032 -14.563 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.865 5.668 -14.361 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.591 7.047 -13.501 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.312 7.996 -15.880 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.337 9.092 -14.872 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.104 9.061 -16.636 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.383 7.798 -17.789 1.00 12.23 N ATOM 1114 CA CYS A 72 -0.981 8.265 -19.110 1.00 12.45 C ATOM 1115 C CYS A 72 -2.189 8.386 -20.035 1.00 40.11 C ATOM 1116 O CYS A 72 -3.197 7.705 -19.848 1.00 33.42 O ATOM 1117 CB CYS A 72 0.049 7.312 -19.720 1.00 45.13 C ATOM 1118 SG CYS A 72 1.735 7.995 -19.805 1.00 32.40 S ATOM 0 H CYS A 72 -1.605 6.804 -17.743 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.531 9.251 -18.998 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.070 6.393 -19.134 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.273 7.041 -20.726 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.078 9.256 -21.033 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.159 9.464 -21.988 1.00 74.50 C ATOM 1125 C ALA A 73 -2.612 9.792 -23.374 1.00 24.12 C ATOM 1126 O ALA A 73 -1.485 10.262 -23.527 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.082 10.574 -21.507 1.00 34.14 C ATOM 0 H ALA A 73 -1.250 9.828 -21.201 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.729 8.538 -22.061 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.885 10.719 -22.230 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.508 10.300 -20.542 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.515 11.499 -21.404 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.428 9.538 -24.408 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.047 9.798 -25.799 1.00 3.31 C ATOM 1135 C PRO A 74 -2.960 11.289 -26.107 1.00 22.40 C ATOM 1136 O PRO A 74 -3.358 12.125 -25.294 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.176 9.151 -26.604 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.347 9.153 -25.682 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.785 8.978 -24.299 1.00 71.33 C ATOM 0 HA PRO A 74 -2.059 9.401 -26.031 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.387 9.714 -27.513 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -3.914 8.138 -26.910 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -5.905 10.086 -25.761 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -6.038 8.347 -25.927 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.379 9.507 -23.554 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.764 7.929 -24.004 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.438 11.616 -27.284 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.301 13.007 -27.699 1.00 21.04 C ATOM 1149 C ILE A 75 -3.644 13.727 -27.659 1.00 1.24 C ATOM 1150 O ILE A 75 -4.698 13.110 -27.820 1.00 71.12 O ATOM 1151 CB ILE A 75 -1.715 13.116 -29.119 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -2.457 12.178 -30.074 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.227 12.797 -29.104 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -2.301 12.552 -31.531 1.00 54.32 C ATOM 0 H ILE A 75 -2.103 10.937 -27.967 1.00 63.22 H new ATOM 0 HA ILE A 75 -1.616 13.480 -26.995 1.00 21.04 H new ATOM 0 HB ILE A 75 -1.844 14.139 -29.472 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.093 11.161 -29.927 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -3.517 12.177 -29.819 1.00 51.41 H new ATOM 0 HG21 ILE A 75 0.173 12.878 -30.115 1.00 51.24 H new ATOM 0 HG22 ILE A 75 0.290 13.501 -28.452 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.076 11.783 -28.735 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -2.853 11.844 -32.149 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -2.692 13.557 -31.693 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -1.246 12.525 -31.803 1.00 54.32 H new ATOM 1166 N THR A 76 -3.600 15.039 -27.445 1.00 52.02 N ATOM 1167 CA THR A 76 -4.813 15.844 -27.385 1.00 31.24 C ATOM 1168 C THR A 76 -4.681 17.102 -28.236 1.00 33.21 C ATOM 1169 O THR A 76 -5.569 17.426 -29.025 1.00 71.35 O ATOM 1170 CB THR A 76 -5.146 16.251 -25.937 1.00 2.31 C ATOM 1171 OG1 THR A 76 -4.139 17.136 -25.433 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.247 15.026 -25.040 1.00 61.00 C ATOM 0 H THR A 76 -2.737 15.566 -27.310 1.00 52.02 H new ATOM 0 HA THR A 76 -5.621 15.227 -27.777 1.00 31.24 H new ATOM 0 HB THR A 76 -6.109 16.761 -25.939 1.00 2.31 H new ATOM 0 HG1 THR A 76 -4.359 17.391 -24.513 1.00 24.25 H new ATOM 0 HG21 THR A 76 -5.483 15.338 -24.023 1.00 61.00 H new ATOM 0 HG22 THR A 76 -6.034 14.368 -25.409 1.00 61.00 H new ATOM 0 HG23 THR A 76 -4.297 14.492 -25.045 1.00 61.00 H new TER 1180 THR A 76