USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 59 THR OG1 : rot 180:sc= 0.579 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -173:sc= 1.65 (180deg=1.05) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0.246 USER MOD Set 2.2: A 32 GLN : amide:sc= 0.266 X(o=0.51,f=0.37) USER MOD Single : A 6 SER OG : rot 21:sc= 0.297 USER MOD Single : A 8 THR OG1 : rot -91:sc= 0.157 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.000949) USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.28) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc=-0.00707 X(o=-0.0071,f=-0.24) USER MOD Single : A 29 ASN : amide:sc= -0.117 K(o=-0.12,f=-3.1!) USER MOD Single : A 31 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.33) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 152:sc= 0 USER MOD Single : A 44 SER OG : rot 32:sc= 0.0369 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.345 K(o=0.34,f=-1.8) USER MOD Single : A 62 LYS NZ :NH3+ 168:sc= 0.541 (180deg=0.46) USER MOD Single : A 63 ASN : amide:sc= 0.634 K(o=0.63,f=-6.4!) USER MOD Single : A 65 ASN : amide:sc= 0.402 K(o=0.4,f=-4.1!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.299 (180deg=0.229) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot -33:sc= 0.902 USER MOD Single : A 90 TYR OH : rot 144:sc= 1.16 USER MOD Single : A 91 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0015) USER MOD Single : A 102 GLN : amide:sc= 0.921 K(o=0.92,f=-2.1!) USER MOD Single : A 108 ASN : amide:sc=-0.00227 X(o=-0.0023,f=0) USER MOD Single : A 109 TYR OH : rot 147:sc= 1.55 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -8.392 -13.763 -11.940 1.00 3.44 N ATOM 64 CA SER A 6 -7.876 -13.553 -10.594 1.00 14.01 C ATOM 65 C SER A 6 -6.839 -14.635 -10.304 1.00 33.53 C ATOM 66 O SER A 6 -6.774 -15.209 -9.216 1.00 45.24 O ATOM 67 CB SER A 6 -9.053 -13.588 -9.614 1.00 22.21 C ATOM 68 OG SER A 6 -10.153 -12.825 -10.086 1.00 12.03 O ATOM 0 HA SER A 6 -7.386 -12.585 -10.490 1.00 14.01 H new ATOM 0 HB2 SER A 6 -9.366 -14.620 -9.459 1.00 22.21 H new ATOM 0 HB3 SER A 6 -8.732 -13.203 -8.646 1.00 22.21 H new ATOM 0 HG SER A 6 -10.078 -12.708 -11.056 1.00 12.03 H new ATOM 73 N ASP A 7 -6.045 -14.955 -11.321 1.00 43.44 N ATOM 74 CA ASP A 7 -5.208 -16.150 -11.391 1.00 12.24 C ATOM 75 C ASP A 7 -3.862 -15.973 -10.693 1.00 62.34 C ATOM 76 O ASP A 7 -3.015 -16.866 -10.703 1.00 63.31 O ATOM 77 CB ASP A 7 -5.017 -16.523 -12.872 1.00 21.45 C ATOM 78 CG ASP A 7 -6.131 -17.384 -13.460 1.00 40.02 C ATOM 79 OD1 ASP A 7 -7.198 -17.562 -12.822 1.00 24.40 O ATOM 80 OD2 ASP A 7 -5.898 -17.899 -14.575 1.00 60.13 O ATOM 0 H ASP A 7 -5.963 -14.368 -12.151 1.00 43.44 H new ATOM 0 HA ASP A 7 -5.712 -16.956 -10.858 1.00 12.24 H new ATOM 0 HB2 ASP A 7 -4.938 -15.606 -13.456 1.00 21.45 H new ATOM 0 HB3 ASP A 7 -4.071 -17.053 -12.980 1.00 21.45 H new ATOM 84 N THR A 8 -3.680 -14.828 -10.064 1.00 52.33 N ATOM 85 CA THR A 8 -2.546 -14.403 -9.267 1.00 52.35 C ATOM 86 C THR A 8 -2.342 -15.308 -8.037 1.00 13.14 C ATOM 87 O THR A 8 -3.299 -15.940 -7.577 1.00 4.23 O ATOM 88 CB THR A 8 -2.783 -12.927 -8.886 1.00 32.22 C ATOM 89 OG1 THR A 8 -4.160 -12.550 -8.942 1.00 13.03 O ATOM 90 CG2 THR A 8 -2.015 -12.019 -9.853 1.00 3.00 C ATOM 0 H THR A 8 -4.394 -14.100 -10.103 1.00 52.33 H new ATOM 0 HA THR A 8 -1.621 -14.491 -9.837 1.00 52.35 H new ATOM 0 HB THR A 8 -2.437 -12.814 -7.859 1.00 32.22 H new ATOM 0 HG1 THR A 8 -4.368 -12.202 -9.834 1.00 13.03 H new ATOM 0 HG21 THR A 8 -2.183 -10.976 -9.584 1.00 3.00 H new ATOM 0 HG22 THR A 8 -0.950 -12.242 -9.794 1.00 3.00 H new ATOM 0 HG23 THR A 8 -2.366 -12.192 -10.870 1.00 3.00 H new ATOM 98 N PRO A 9 -1.113 -15.372 -7.496 1.00 11.24 N ATOM 99 CA PRO A 9 -0.772 -16.194 -6.336 1.00 0.34 C ATOM 100 C PRO A 9 -1.482 -15.702 -5.071 1.00 34.51 C ATOM 101 O PRO A 9 -1.993 -14.584 -5.017 1.00 54.13 O ATOM 102 CB PRO A 9 0.755 -16.101 -6.219 1.00 34.51 C ATOM 103 CG PRO A 9 1.090 -14.766 -6.863 1.00 54.51 C ATOM 104 CD PRO A 9 0.043 -14.619 -7.952 1.00 33.42 C ATOM 0 HA PRO A 9 -1.099 -17.227 -6.455 1.00 0.34 H new ATOM 0 HB2 PRO A 9 1.079 -16.135 -5.179 1.00 34.51 H new ATOM 0 HB3 PRO A 9 1.246 -16.927 -6.733 1.00 34.51 H new ATOM 0 HG2 PRO A 9 1.036 -13.949 -6.143 1.00 54.51 H new ATOM 0 HG3 PRO A 9 2.099 -14.762 -7.275 1.00 54.51 H new ATOM 0 HD2 PRO A 9 -0.211 -13.571 -8.111 1.00 33.42 H new ATOM 0 HD3 PRO A 9 0.411 -15.005 -8.903 1.00 33.42 H new ATOM 109 N LYS A 10 -1.461 -16.528 -4.022 1.00 12.43 N ATOM 110 CA LYS A 10 -1.930 -16.166 -2.686 1.00 73.24 C ATOM 111 C LYS A 10 -0.729 -15.952 -1.784 1.00 40.13 C ATOM 112 O LYS A 10 0.262 -16.684 -1.871 1.00 44.54 O ATOM 113 CB LYS A 10 -2.884 -17.230 -2.123 1.00 42.25 C ATOM 114 CG LYS A 10 -4.255 -17.183 -2.822 1.00 14.30 C ATOM 115 CD LYS A 10 -4.539 -18.377 -3.729 1.00 62.55 C ATOM 116 CE LYS A 10 -4.903 -19.599 -2.888 1.00 1.43 C ATOM 117 NZ LYS A 10 -5.024 -20.812 -3.719 1.00 23.12 N ATOM 0 H LYS A 10 -1.111 -17.484 -4.081 1.00 12.43 H new ATOM 0 HA LYS A 10 -2.500 -15.239 -2.740 1.00 73.24 H new ATOM 0 HB2 LYS A 10 -2.443 -18.219 -2.249 1.00 42.25 H new ATOM 0 HB3 LYS A 10 -3.014 -17.074 -1.052 1.00 42.25 H new ATOM 0 HG2 LYS A 10 -5.035 -17.125 -2.063 1.00 14.30 H new ATOM 0 HG3 LYS A 10 -4.317 -16.270 -3.413 1.00 14.30 H new ATOM 0 HD2 LYS A 10 -5.355 -18.139 -4.412 1.00 62.55 H new ATOM 0 HD3 LYS A 10 -3.664 -18.595 -4.342 1.00 62.55 H new ATOM 0 HE2 LYS A 10 -4.142 -19.755 -2.123 1.00 1.43 H new ATOM 0 HE3 LYS A 10 -5.844 -19.417 -2.369 1.00 1.43 H new ATOM 0 HZ1 LYS A 10 -5.272 -21.622 -3.116 1.00 23.12 H new ATOM 0 HZ2 LYS A 10 -5.767 -20.671 -4.433 1.00 23.12 H new ATOM 0 HZ3 LYS A 10 -4.118 -20.999 -4.195 1.00 23.12 H new ATOM 127 N VAL A 11 -0.785 -14.887 -0.989 1.00 24.12 N ATOM 128 CA VAL A 11 0.219 -14.563 0.019 1.00 74.35 C ATOM 129 C VAL A 11 0.152 -15.661 1.082 1.00 53.24 C ATOM 130 O VAL A 11 -0.943 -16.172 1.337 1.00 54.02 O ATOM 131 CB VAL A 11 -0.107 -13.164 0.584 1.00 64.34 C ATOM 132 CG1 VAL A 11 0.743 -12.726 1.781 1.00 25.20 C ATOM 133 CG2 VAL A 11 0.050 -12.095 -0.512 1.00 32.23 C ATOM 0 H VAL A 11 -1.547 -14.210 -1.029 1.00 24.12 H new ATOM 0 HA VAL A 11 1.233 -14.527 -0.379 1.00 74.35 H new ATOM 0 HB VAL A 11 -1.135 -13.252 0.936 1.00 64.34 H new ATOM 0 HG11 VAL A 11 0.435 -11.731 2.101 1.00 25.20 H new ATOM 0 HG12 VAL A 11 0.606 -13.430 2.602 1.00 25.20 H new ATOM 0 HG13 VAL A 11 1.794 -12.705 1.493 1.00 25.20 H new ATOM 0 HG21 VAL A 11 -0.183 -11.114 -0.099 1.00 32.23 H new ATOM 0 HG22 VAL A 11 1.076 -12.099 -0.880 1.00 32.23 H new ATOM 0 HG23 VAL A 11 -0.631 -12.314 -1.334 1.00 32.23 H new ATOM 143 N THR A 12 1.280 -16.001 1.717 1.00 12.02 N ATOM 144 CA THR A 12 1.249 -16.850 2.909 1.00 22.54 C ATOM 145 C THR A 12 1.936 -16.218 4.116 1.00 43.12 C ATOM 146 O THR A 12 1.776 -16.731 5.228 1.00 52.04 O ATOM 147 CB THR A 12 1.721 -18.292 2.632 1.00 15.02 C ATOM 148 OG1 THR A 12 3.125 -18.445 2.622 1.00 0.32 O ATOM 149 CG2 THR A 12 1.160 -18.883 1.340 1.00 4.02 C ATOM 0 H THR A 12 2.213 -15.705 1.429 1.00 12.02 H new ATOM 0 HA THR A 12 0.197 -16.930 3.184 1.00 22.54 H new ATOM 0 HB THR A 12 1.317 -18.846 3.480 1.00 15.02 H new ATOM 0 HG1 THR A 12 3.351 -19.382 2.443 1.00 0.32 H new ATOM 0 HG21 THR A 12 1.535 -19.898 1.211 1.00 4.02 H new ATOM 0 HG22 THR A 12 0.071 -18.902 1.391 1.00 4.02 H new ATOM 0 HG23 THR A 12 1.473 -18.271 0.494 1.00 4.02 H new ATOM 157 N GLY A 13 2.668 -15.114 3.942 1.00 11.33 N ATOM 158 CA GLY A 13 3.341 -14.431 5.029 1.00 31.30 C ATOM 159 C GLY A 13 3.371 -12.938 4.757 1.00 32.45 C ATOM 160 O GLY A 13 3.572 -12.517 3.617 1.00 54.31 O ATOM 0 H GLY A 13 2.806 -14.673 3.033 1.00 11.33 H new ATOM 0 HA2 GLY A 13 2.826 -14.628 5.969 1.00 31.30 H new ATOM 0 HA3 GLY A 13 4.357 -14.811 5.136 1.00 31.30 H new ATOM 164 N LEU A 14 3.190 -12.154 5.818 1.00 23.44 N ATOM 165 CA LEU A 14 3.238 -10.699 5.815 1.00 5.22 C ATOM 166 C LEU A 14 4.096 -10.285 7.000 1.00 60.15 C ATOM 167 O LEU A 14 3.926 -10.816 8.104 1.00 23.43 O ATOM 168 CB LEU A 14 1.823 -10.103 5.950 1.00 32.30 C ATOM 169 CG LEU A 14 0.994 -10.240 4.659 1.00 1.52 C ATOM 170 CD1 LEU A 14 -0.505 -10.127 4.940 1.00 2.11 C ATOM 171 CD2 LEU A 14 1.375 -9.166 3.636 1.00 15.23 C ATOM 0 H LEU A 14 2.997 -12.536 6.744 1.00 23.44 H new ATOM 0 HA LEU A 14 3.655 -10.332 4.877 1.00 5.22 H new ATOM 0 HB2 LEU A 14 1.300 -10.600 6.767 1.00 32.30 H new ATOM 0 HB3 LEU A 14 1.901 -9.049 6.216 1.00 32.30 H new ATOM 0 HG LEU A 14 1.215 -11.228 4.255 1.00 1.52 H new ATOM 0 HD11 LEU A 14 -1.059 -10.228 4.007 1.00 2.11 H new ATOM 0 HD12 LEU A 14 -0.807 -10.916 5.628 1.00 2.11 H new ATOM 0 HD13 LEU A 14 -0.719 -9.156 5.386 1.00 2.11 H new ATOM 0 HD21 LEU A 14 0.772 -9.290 2.736 1.00 15.23 H new ATOM 0 HD22 LEU A 14 1.194 -8.179 4.061 1.00 15.23 H new ATOM 0 HD23 LEU A 14 2.430 -9.264 3.382 1.00 15.23 H new ATOM 182 N LYS A 15 4.998 -9.330 6.803 1.00 2.23 N ATOM 183 CA LYS A 15 5.870 -8.802 7.850 1.00 32.22 C ATOM 184 C LYS A 15 5.945 -7.302 7.686 1.00 12.13 C ATOM 185 O LYS A 15 5.569 -6.773 6.645 1.00 45.12 O ATOM 186 CB LYS A 15 7.264 -9.442 7.744 1.00 60.43 C ATOM 187 CG LYS A 15 7.716 -10.247 8.970 1.00 54.22 C ATOM 188 CD LYS A 15 8.229 -9.395 10.143 1.00 51.11 C ATOM 189 CE LYS A 15 7.127 -9.143 11.170 1.00 74.43 C ATOM 190 NZ LYS A 15 6.897 -10.324 12.024 1.00 0.11 N ATOM 0 H LYS A 15 5.148 -8.892 5.894 1.00 2.23 H new ATOM 0 HA LYS A 15 5.473 -9.040 8.837 1.00 32.22 H new ATOM 0 HB2 LYS A 15 7.278 -10.099 6.874 1.00 60.43 H new ATOM 0 HB3 LYS A 15 7.994 -8.654 7.560 1.00 60.43 H new ATOM 0 HG2 LYS A 15 6.880 -10.854 9.318 1.00 54.22 H new ATOM 0 HG3 LYS A 15 8.505 -10.935 8.666 1.00 54.22 H new ATOM 0 HD2 LYS A 15 9.067 -9.900 10.623 1.00 51.11 H new ATOM 0 HD3 LYS A 15 8.603 -8.443 9.767 1.00 51.11 H new ATOM 0 HE2 LYS A 15 7.398 -8.291 11.793 1.00 74.43 H new ATOM 0 HE3 LYS A 15 6.203 -8.881 10.655 1.00 74.43 H new ATOM 0 HZ1 LYS A 15 5.949 -10.266 12.448 1.00 0.11 H new ATOM 0 HZ2 LYS A 15 6.967 -11.187 11.448 1.00 0.11 H new ATOM 0 HZ3 LYS A 15 7.613 -10.352 12.778 1.00 0.11 H new ATOM 200 N LEU A 16 6.447 -6.600 8.695 1.00 22.30 N ATOM 201 CA LEU A 16 6.651 -5.164 8.623 1.00 42.23 C ATOM 202 C LEU A 16 8.061 -4.848 9.074 1.00 2.34 C ATOM 203 O LEU A 16 8.692 -5.640 9.777 1.00 43.02 O ATOM 204 CB LEU A 16 5.620 -4.410 9.483 1.00 41.53 C ATOM 205 CG LEU A 16 4.574 -3.682 8.622 1.00 25.40 C ATOM 206 CD1 LEU A 16 3.438 -4.622 8.218 1.00 32.34 C ATOM 207 CD2 LEU A 16 4.029 -2.469 9.377 1.00 60.22 C ATOM 0 H LEU A 16 6.723 -7.014 9.585 1.00 22.30 H new ATOM 0 HA LEU A 16 6.513 -4.834 7.593 1.00 42.23 H new ATOM 0 HB2 LEU A 16 5.117 -5.114 10.146 1.00 41.53 H new ATOM 0 HB3 LEU A 16 6.135 -3.687 10.116 1.00 41.53 H new ATOM 0 HG LEU A 16 5.060 -3.340 7.708 1.00 25.40 H new ATOM 0 HD11 LEU A 16 2.715 -4.078 7.610 1.00 32.34 H new ATOM 0 HD12 LEU A 16 3.842 -5.455 7.643 1.00 32.34 H new ATOM 0 HD13 LEU A 16 2.946 -5.004 9.113 1.00 32.34 H new ATOM 0 HD21 LEU A 16 3.289 -1.959 8.760 1.00 60.22 H new ATOM 0 HD22 LEU A 16 3.563 -2.798 10.306 1.00 60.22 H new ATOM 0 HD23 LEU A 16 4.846 -1.784 9.604 1.00 60.22 H new ATOM 218 N LYS A 17 8.522 -3.659 8.695 1.00 62.53 N ATOM 219 CA LYS A 17 9.764 -3.042 9.131 1.00 12.02 C ATOM 220 C LYS A 17 9.413 -1.616 9.546 1.00 15.21 C ATOM 221 O LYS A 17 9.685 -0.674 8.805 1.00 54.22 O ATOM 222 CB LYS A 17 10.872 -3.111 8.050 1.00 33.24 C ATOM 223 CG LYS A 17 10.421 -2.729 6.644 1.00 22.43 C ATOM 224 CD LYS A 17 10.134 -3.962 5.775 1.00 74.14 C ATOM 225 CE LYS A 17 11.302 -4.198 4.809 1.00 11.43 C ATOM 226 NZ LYS A 17 12.459 -4.909 5.381 1.00 14.04 N ATOM 0 H LYS A 17 8.008 -3.071 8.039 1.00 62.53 H new ATOM 0 HA LYS A 17 10.193 -3.583 9.974 1.00 12.02 H new ATOM 0 HB2 LYS A 17 11.689 -2.453 8.345 1.00 33.24 H new ATOM 0 HB3 LYS A 17 11.272 -4.125 8.025 1.00 33.24 H new ATOM 0 HG2 LYS A 17 9.524 -2.113 6.706 1.00 22.43 H new ATOM 0 HG3 LYS A 17 11.192 -2.122 6.169 1.00 22.43 H new ATOM 0 HD2 LYS A 17 9.990 -4.838 6.407 1.00 74.14 H new ATOM 0 HD3 LYS A 17 9.210 -3.817 5.215 1.00 74.14 H new ATOM 0 HE2 LYS A 17 10.935 -4.765 3.953 1.00 11.43 H new ATOM 0 HE3 LYS A 17 11.640 -3.233 4.431 1.00 11.43 H new ATOM 0 HZ1 LYS A 17 13.207 -4.990 4.663 1.00 14.04 H new ATOM 0 HZ2 LYS A 17 12.821 -4.380 6.200 1.00 14.04 H new ATOM 0 HZ3 LYS A 17 12.167 -5.860 5.685 1.00 14.04 H new ATOM 236 N ARG A 18 8.811 -1.424 10.729 1.00 21.54 N ATOM 237 CA ARG A 18 8.516 -0.089 11.286 1.00 51.31 C ATOM 238 C ARG A 18 9.690 0.885 11.158 1.00 2.21 C ATOM 239 O ARG A 18 9.473 2.057 10.846 1.00 64.35 O ATOM 240 CB ARG A 18 8.071 -0.203 12.757 1.00 53.15 C ATOM 241 CG ARG A 18 9.003 -0.990 13.693 1.00 34.20 C ATOM 242 CD ARG A 18 8.321 -1.240 15.038 1.00 5.10 C ATOM 243 NE ARG A 18 9.175 -2.048 15.916 1.00 75.43 N ATOM 244 CZ ARG A 18 8.884 -2.437 17.160 1.00 3.50 C ATOM 245 NH1 ARG A 18 7.733 -2.105 17.739 1.00 64.33 N ATOM 246 NH2 ARG A 18 9.774 -3.183 17.808 1.00 3.13 N ATOM 0 H ARG A 18 8.513 -2.191 11.331 1.00 21.54 H new ATOM 0 HA ARG A 18 7.700 0.323 10.692 1.00 51.31 H new ATOM 0 HB2 ARG A 18 7.955 0.804 13.158 1.00 53.15 H new ATOM 0 HB3 ARG A 18 7.087 -0.671 12.781 1.00 53.15 H new ATOM 0 HG2 ARG A 18 9.273 -1.941 13.233 1.00 34.20 H new ATOM 0 HG3 ARG A 18 9.929 -0.435 13.845 1.00 34.20 H new ATOM 0 HD2 ARG A 18 8.096 -0.288 15.519 1.00 5.10 H new ATOM 0 HD3 ARG A 18 7.371 -1.749 14.879 1.00 5.10 H new ATOM 0 HE ARG A 18 10.077 -2.341 15.540 1.00 75.43 H new ATOM 0 HH11 ARG A 18 7.051 -1.542 17.232 1.00 64.33 H new ATOM 0 HH12 ARG A 18 7.533 -2.414 18.690 1.00 64.33 H new ATOM 0 HH21 ARG A 18 10.650 -3.442 17.354 1.00 3.13 H new ATOM 0 HH22 ARG A 18 9.581 -3.496 18.759 1.00 3.13 H new ATOM 257 N LYS A 19 10.917 0.380 11.340 1.00 1.12 N ATOM 258 CA LYS A 19 12.162 1.131 11.250 1.00 13.53 C ATOM 259 C LYS A 19 12.209 1.950 9.952 1.00 53.53 C ATOM 260 O LYS A 19 12.410 3.161 10.011 1.00 63.33 O ATOM 261 CB LYS A 19 13.379 0.187 11.383 1.00 14.32 C ATOM 262 CG LYS A 19 13.640 -0.387 12.795 1.00 71.33 C ATOM 263 CD LYS A 19 12.831 -1.632 13.198 1.00 34.21 C ATOM 264 CE LYS A 19 13.212 -2.903 12.431 1.00 52.45 C ATOM 265 NZ LYS A 19 14.423 -3.582 12.938 1.00 41.21 N ATOM 0 H LYS A 19 11.068 -0.604 11.563 1.00 1.12 H new ATOM 0 HA LYS A 19 12.206 1.836 12.080 1.00 13.53 H new ATOM 0 HB2 LYS A 19 13.245 -0.646 10.693 1.00 14.32 H new ATOM 0 HB3 LYS A 19 14.270 0.727 11.062 1.00 14.32 H new ATOM 0 HG2 LYS A 19 14.700 -0.631 12.872 1.00 71.33 H new ATOM 0 HG3 LYS A 19 13.440 0.399 13.523 1.00 71.33 H new ATOM 0 HD2 LYS A 19 12.967 -1.810 14.265 1.00 34.21 H new ATOM 0 HD3 LYS A 19 11.772 -1.430 13.041 1.00 34.21 H new ATOM 0 HE2 LYS A 19 12.376 -3.601 12.470 1.00 52.45 H new ATOM 0 HE3 LYS A 19 13.365 -2.648 11.382 1.00 52.45 H new ATOM 0 HZ1 LYS A 19 14.611 -4.430 12.366 1.00 41.21 H new ATOM 0 HZ2 LYS A 19 15.235 -2.935 12.876 1.00 41.21 H new ATOM 0 HZ3 LYS A 19 14.276 -3.859 13.930 1.00 41.21 H new ATOM 275 N SER A 20 11.927 1.319 8.809 1.00 34.30 N ATOM 276 CA SER A 20 11.948 1.912 7.472 1.00 71.43 C ATOM 277 C SER A 20 10.534 2.028 6.885 1.00 3.41 C ATOM 278 O SER A 20 10.382 2.080 5.668 1.00 15.41 O ATOM 279 CB SER A 20 12.863 1.070 6.569 1.00 60.14 C ATOM 280 OG SER A 20 14.207 1.198 6.985 1.00 41.44 O ATOM 0 H SER A 20 11.665 0.333 8.792 1.00 34.30 H new ATOM 0 HA SER A 20 12.341 2.927 7.537 1.00 71.43 H new ATOM 0 HB2 SER A 20 12.561 0.023 6.607 1.00 60.14 H new ATOM 0 HB3 SER A 20 12.762 1.394 5.533 1.00 60.14 H new ATOM 0 HG SER A 20 14.782 0.657 6.405 1.00 41.44 H new ATOM 285 N ARG A 21 9.496 2.000 7.738 1.00 14.44 N ATOM 286 CA ARG A 21 8.088 2.218 7.392 1.00 73.14 C ATOM 287 C ARG A 21 7.686 1.477 6.117 1.00 24.20 C ATOM 288 O ARG A 21 7.065 2.034 5.215 1.00 33.44 O ATOM 289 CB ARG A 21 7.796 3.722 7.362 1.00 71.33 C ATOM 290 CG ARG A 21 7.604 4.318 8.760 1.00 33.21 C ATOM 291 CD ARG A 21 8.604 5.433 9.061 1.00 62.53 C ATOM 292 NE ARG A 21 8.152 6.250 10.195 1.00 71.14 N ATOM 293 CZ ARG A 21 8.177 5.925 11.493 1.00 13.25 C ATOM 294 NH1 ARG A 21 8.665 4.753 11.910 1.00 52.02 N ATOM 295 NH2 ARG A 21 7.696 6.777 12.386 1.00 12.43 N ATOM 0 H ARG A 21 9.626 1.816 8.733 1.00 14.44 H new ATOM 0 HA ARG A 21 7.454 1.783 8.165 1.00 73.14 H new ATOM 0 HB2 ARG A 21 8.617 4.237 6.862 1.00 71.33 H new ATOM 0 HB3 ARG A 21 6.899 3.901 6.769 1.00 71.33 H new ATOM 0 HG2 ARG A 21 6.590 4.709 8.849 1.00 33.21 H new ATOM 0 HG3 ARG A 21 7.708 3.530 9.505 1.00 33.21 H new ATOM 0 HD2 ARG A 21 9.580 5.001 9.285 1.00 62.53 H new ATOM 0 HD3 ARG A 21 8.728 6.063 8.180 1.00 62.53 H new ATOM 0 HE ARG A 21 7.776 7.170 9.967 1.00 71.14 H new ATOM 0 HH11 ARG A 21 9.030 4.083 11.233 1.00 52.02 H new ATOM 0 HH12 ARG A 21 8.673 4.529 12.905 1.00 52.02 H new ATOM 0 HH21 ARG A 21 7.311 7.671 12.082 1.00 12.43 H new ATOM 0 HH22 ARG A 21 7.710 6.539 13.378 1.00 12.43 H new ATOM 306 N GLN A 22 8.001 0.191 6.054 1.00 34.10 N ATOM 307 CA GLN A 22 7.765 -0.655 4.895 1.00 21.44 C ATOM 308 C GLN A 22 7.098 -1.951 5.380 1.00 45.34 C ATOM 309 O GLN A 22 7.086 -2.246 6.583 1.00 13.14 O ATOM 310 CB GLN A 22 9.116 -0.897 4.198 1.00 4.44 C ATOM 311 CG GLN A 22 9.387 -0.163 2.879 1.00 11.50 C ATOM 312 CD GLN A 22 10.786 -0.523 2.377 1.00 13.01 C ATOM 313 OE1 GLN A 22 10.981 -1.264 1.415 1.00 63.44 O ATOM 314 NE2 GLN A 22 11.791 -0.105 3.118 1.00 11.42 N ATOM 0 H GLN A 22 8.440 -0.305 6.830 1.00 34.10 H new ATOM 0 HA GLN A 22 7.097 -0.193 4.168 1.00 21.44 H new ATOM 0 HB2 GLN A 22 9.906 -0.627 4.899 1.00 4.44 H new ATOM 0 HB3 GLN A 22 9.208 -1.967 4.010 1.00 4.44 H new ATOM 0 HG2 GLN A 22 8.639 -0.440 2.136 1.00 11.50 H new ATOM 0 HG3 GLN A 22 9.307 0.914 3.026 1.00 11.50 H new ATOM 0 HE21 GLN A 22 11.617 0.509 3.913 1.00 11.42 H new ATOM 0 HE22 GLN A 22 12.743 -0.396 2.897 1.00 11.42 H new ATOM 321 N LEU A 23 6.578 -2.739 4.448 1.00 15.14 N ATOM 322 CA LEU A 23 5.775 -3.927 4.677 1.00 41.24 C ATOM 323 C LEU A 23 6.138 -4.943 3.620 1.00 72.53 C ATOM 324 O LEU A 23 6.153 -4.629 2.438 1.00 73.14 O ATOM 325 CB LEU A 23 4.292 -3.490 4.614 1.00 40.31 C ATOM 326 CG LEU A 23 3.179 -4.565 4.549 1.00 43.43 C ATOM 327 CD1 LEU A 23 1.807 -3.891 4.702 1.00 75.32 C ATOM 328 CD2 LEU A 23 3.124 -5.356 3.255 1.00 33.50 C ATOM 0 H LEU A 23 6.715 -2.553 3.455 1.00 15.14 H new ATOM 0 HA LEU A 23 5.953 -4.389 5.648 1.00 41.24 H new ATOM 0 HB2 LEU A 23 4.097 -2.871 5.490 1.00 40.31 H new ATOM 0 HB3 LEU A 23 4.178 -2.849 3.740 1.00 40.31 H new ATOM 0 HG LEU A 23 3.418 -5.259 5.355 1.00 43.43 H new ATOM 0 HD11 LEU A 23 1.023 -4.647 4.656 1.00 75.32 H new ATOM 0 HD12 LEU A 23 1.759 -3.376 5.662 1.00 75.32 H new ATOM 0 HD13 LEU A 23 1.664 -3.171 3.897 1.00 75.32 H new ATOM 0 HD21 LEU A 23 2.313 -6.083 3.307 1.00 33.50 H new ATOM 0 HD22 LEU A 23 2.950 -4.677 2.420 1.00 33.50 H new ATOM 0 HD23 LEU A 23 4.070 -5.878 3.107 1.00 33.50 H new ATOM 339 N GLU A 24 6.457 -6.143 4.081 1.00 54.03 N ATOM 340 CA GLU A 24 6.946 -7.265 3.305 1.00 23.31 C ATOM 341 C GLU A 24 5.805 -8.243 3.045 1.00 3.01 C ATOM 342 O GLU A 24 4.968 -8.480 3.928 1.00 0.33 O ATOM 343 CB GLU A 24 8.018 -8.002 4.108 1.00 15.31 C ATOM 344 CG GLU A 24 9.160 -7.079 4.531 1.00 20.32 C ATOM 345 CD GLU A 24 10.193 -7.804 5.408 1.00 63.45 C ATOM 346 OE1 GLU A 24 9.887 -8.794 6.114 1.00 53.44 O ATOM 347 OE2 GLU A 24 11.333 -7.316 5.512 1.00 3.55 O ATOM 0 H GLU A 24 6.375 -6.370 5.072 1.00 54.03 H new ATOM 0 HA GLU A 24 7.353 -6.896 2.363 1.00 23.31 H new ATOM 0 HB2 GLU A 24 7.565 -8.446 4.994 1.00 15.31 H new ATOM 0 HB3 GLU A 24 8.418 -8.821 3.511 1.00 15.31 H new ATOM 0 HG2 GLU A 24 9.653 -6.682 3.643 1.00 20.32 H new ATOM 0 HG3 GLU A 24 8.754 -6.228 5.078 1.00 20.32 H new ATOM 352 N ILE A 25 5.817 -8.828 1.849 1.00 14.21 N ATOM 353 CA ILE A 25 4.808 -9.707 1.295 1.00 43.13 C ATOM 354 C ILE A 25 5.569 -10.884 0.712 1.00 4.21 C ATOM 355 O ILE A 25 6.523 -10.682 -0.047 1.00 22.34 O ATOM 356 CB ILE A 25 4.008 -8.946 0.215 1.00 12.12 C ATOM 357 CG1 ILE A 25 3.154 -7.829 0.866 1.00 1.14 C ATOM 358 CG2 ILE A 25 3.045 -9.851 -0.574 1.00 74.14 C ATOM 359 CD1 ILE A 25 3.048 -6.568 0.021 1.00 31.33 C ATOM 0 H ILE A 25 6.591 -8.685 1.201 1.00 14.21 H new ATOM 0 HA ILE A 25 4.088 -10.051 2.037 1.00 43.13 H new ATOM 0 HB ILE A 25 4.752 -8.540 -0.470 1.00 12.12 H new ATOM 0 HG12 ILE A 25 2.152 -8.214 1.055 1.00 1.14 H new ATOM 0 HG13 ILE A 25 3.585 -7.572 1.834 1.00 1.14 H new ATOM 0 HG21 ILE A 25 2.513 -9.256 -1.317 1.00 74.14 H new ATOM 0 HG22 ILE A 25 3.612 -10.636 -1.075 1.00 74.14 H new ATOM 0 HG23 ILE A 25 2.327 -10.303 0.111 1.00 74.14 H new ATOM 0 HD11 ILE A 25 2.435 -5.832 0.541 1.00 31.33 H new ATOM 0 HD12 ILE A 25 4.044 -6.158 -0.147 1.00 31.33 H new ATOM 0 HD13 ILE A 25 2.589 -6.810 -0.937 1.00 31.33 H new ATOM 370 N SER A 26 5.122 -12.096 1.028 1.00 4.02 N ATOM 371 CA SER A 26 5.644 -13.319 0.439 1.00 24.22 C ATOM 372 C SER A 26 4.486 -14.135 -0.101 1.00 15.21 C ATOM 373 O SER A 26 3.452 -14.315 0.556 1.00 62.53 O ATOM 374 CB SER A 26 6.457 -14.094 1.470 1.00 53.55 C ATOM 375 OG SER A 26 7.096 -15.217 0.907 1.00 12.21 O ATOM 0 H SER A 26 4.379 -12.255 1.708 1.00 4.02 H new ATOM 0 HA SER A 26 6.316 -13.085 -0.387 1.00 24.22 H new ATOM 0 HB2 SER A 26 7.205 -13.435 1.911 1.00 53.55 H new ATOM 0 HB3 SER A 26 5.802 -14.418 2.279 1.00 53.55 H new ATOM 0 HG SER A 26 7.607 -15.684 1.600 1.00 12.21 H new ATOM 380 N PHE A 27 4.695 -14.632 -1.311 1.00 23.24 N ATOM 381 CA PHE A 27 3.734 -15.403 -2.080 1.00 2.34 C ATOM 382 C PHE A 27 4.053 -16.879 -1.991 1.00 71.32 C ATOM 383 O PHE A 27 5.213 -17.263 -1.824 1.00 23.12 O ATOM 384 CB PHE A 27 3.758 -14.951 -3.547 1.00 24.25 C ATOM 385 CG PHE A 27 2.840 -13.789 -3.837 1.00 15.10 C ATOM 386 CD1 PHE A 27 1.486 -13.904 -3.497 1.00 1.24 C ATOM 387 CD2 PHE A 27 3.288 -12.630 -4.491 1.00 72.11 C ATOM 388 CE1 PHE A 27 0.582 -12.872 -3.756 1.00 0.55 C ATOM 389 CE2 PHE A 27 2.368 -11.606 -4.779 1.00 74.45 C ATOM 390 CZ PHE A 27 1.022 -11.708 -4.397 1.00 23.32 C ATOM 0 H PHE A 27 5.579 -14.502 -1.804 1.00 23.24 H new ATOM 0 HA PHE A 27 2.739 -15.234 -1.669 1.00 2.34 H new ATOM 0 HB2 PHE A 27 4.777 -14.674 -3.816 1.00 24.25 H new ATOM 0 HB3 PHE A 27 3.478 -15.792 -4.182 1.00 24.25 H new ATOM 0 HD1 PHE A 27 1.134 -14.809 -3.025 1.00 1.24 H new ATOM 0 HD2 PHE A 27 4.326 -12.526 -4.769 1.00 72.11 H new ATOM 0 HE1 PHE A 27 -0.453 -12.971 -3.463 1.00 0.55 H new ATOM 0 HE2 PHE A 27 2.704 -10.724 -5.304 1.00 74.45 H new ATOM 0 HZ PHE A 27 0.334 -10.899 -4.595 1.00 23.32 H new ATOM 399 N ASP A 28 3.033 -17.720 -2.178 1.00 73.32 N ATOM 400 CA ASP A 28 3.232 -19.160 -2.057 1.00 5.04 C ATOM 401 C ASP A 28 4.091 -19.722 -3.190 1.00 55.02 C ATOM 402 O ASP A 28 4.767 -20.725 -2.999 1.00 65.41 O ATOM 403 CB ASP A 28 1.901 -19.906 -2.034 1.00 24.22 C ATOM 404 CG ASP A 28 2.121 -21.371 -1.674 1.00 20.31 C ATOM 405 OD1 ASP A 28 2.763 -21.638 -0.630 1.00 13.20 O ATOM 406 OD2 ASP A 28 1.580 -22.239 -2.390 1.00 34.41 O ATOM 0 H ASP A 28 2.081 -17.434 -2.409 1.00 73.32 H new ATOM 0 HA ASP A 28 3.754 -19.313 -1.112 1.00 5.04 H new ATOM 0 HB2 ASP A 28 1.230 -19.444 -1.310 1.00 24.22 H new ATOM 0 HB3 ASP A 28 1.418 -19.833 -3.009 1.00 24.22 H new ATOM 410 N ASN A 29 4.066 -19.071 -4.359 1.00 34.11 N ATOM 411 CA ASN A 29 4.713 -19.557 -5.577 1.00 60.31 C ATOM 412 C ASN A 29 6.243 -19.516 -5.515 1.00 51.04 C ATOM 413 O ASN A 29 6.881 -20.327 -6.188 1.00 41.32 O ATOM 414 CB ASN A 29 4.203 -18.791 -6.814 1.00 14.31 C ATOM 415 CG ASN A 29 4.925 -17.470 -7.059 1.00 43.41 C ATOM 416 OD1 ASN A 29 6.033 -17.425 -7.562 1.00 11.32 O ATOM 417 ND2 ASN A 29 4.322 -16.348 -6.699 1.00 40.51 N ATOM 0 H ASN A 29 3.588 -18.179 -4.484 1.00 34.11 H new ATOM 0 HA ASN A 29 4.436 -20.608 -5.664 1.00 60.31 H new ATOM 0 HB2 ASN A 29 4.315 -19.424 -7.694 1.00 14.31 H new ATOM 0 HB3 ASN A 29 3.137 -18.596 -6.695 1.00 14.31 H new ATOM 0 HD21 ASN A 29 4.785 -15.451 -6.843 1.00 40.51 H new ATOM 0 HD22 ASN A 29 3.394 -16.380 -6.277 1.00 40.51 H new ATOM 423 N GLY A 30 6.807 -18.610 -4.709 1.00 40.31 N ATOM 424 CA GLY A 30 8.234 -18.321 -4.673 1.00 60.25 C ATOM 425 C GLY A 30 8.515 -16.899 -5.154 1.00 74.43 C ATOM 426 O GLY A 30 9.348 -16.683 -6.038 1.00 40.33 O ATOM 0 H GLY A 30 6.267 -18.048 -4.051 1.00 40.31 H new ATOM 0 HA2 GLY A 30 8.609 -18.446 -3.657 1.00 60.25 H new ATOM 0 HA3 GLY A 30 8.769 -19.034 -5.300 1.00 60.25 H new ATOM 430 N GLN A 31 7.818 -15.911 -4.584 1.00 40.41 N ATOM 431 CA GLN A 31 8.079 -14.491 -4.794 1.00 65.22 C ATOM 432 C GLN A 31 7.999 -13.781 -3.446 1.00 61.14 C ATOM 433 O GLN A 31 7.299 -14.245 -2.543 1.00 3.11 O ATOM 434 CB GLN A 31 7.089 -13.897 -5.822 1.00 4.54 C ATOM 435 CG GLN A 31 7.395 -14.264 -7.283 1.00 44.14 C ATOM 436 CD GLN A 31 8.670 -13.599 -7.792 1.00 2.21 C ATOM 437 OE1 GLN A 31 8.622 -12.588 -8.486 1.00 40.12 O ATOM 438 NE2 GLN A 31 9.835 -14.124 -7.464 1.00 41.01 N ATOM 0 H GLN A 31 7.039 -16.085 -3.949 1.00 40.41 H new ATOM 0 HA GLN A 31 9.077 -14.349 -5.209 1.00 65.22 H new ATOM 0 HB2 GLN A 31 6.083 -14.237 -5.578 1.00 4.54 H new ATOM 0 HB3 GLN A 31 7.091 -12.811 -5.725 1.00 4.54 H new ATOM 0 HG2 GLN A 31 7.492 -15.346 -7.371 1.00 44.14 H new ATOM 0 HG3 GLN A 31 6.557 -13.967 -7.913 1.00 44.14 H new ATOM 0 HE21 GLN A 31 9.871 -14.964 -6.887 1.00 41.01 H new ATOM 0 HE22 GLN A 31 10.699 -13.690 -7.787 1.00 41.01 H new ATOM 445 N GLN A 32 8.730 -12.672 -3.338 1.00 64.32 N ATOM 446 CA GLN A 32 8.854 -11.822 -2.167 1.00 1.50 C ATOM 447 C GLN A 32 9.057 -10.396 -2.663 1.00 44.11 C ATOM 448 O GLN A 32 9.717 -10.187 -3.683 1.00 62.15 O ATOM 449 CB GLN A 32 10.046 -12.272 -1.300 1.00 35.22 C ATOM 450 CG GLN A 32 9.572 -13.098 -0.101 1.00 62.34 C ATOM 451 CD GLN A 32 10.551 -14.202 0.283 1.00 53.23 C ATOM 452 OE1 GLN A 32 11.747 -13.981 0.482 1.00 54.22 O ATOM 453 NE2 GLN A 32 10.059 -15.423 0.393 1.00 15.12 N ATOM 0 H GLN A 32 9.285 -12.326 -4.120 1.00 64.32 H new ATOM 0 HA GLN A 32 7.960 -11.886 -1.547 1.00 1.50 H new ATOM 0 HB2 GLN A 32 10.736 -12.862 -1.903 1.00 35.22 H new ATOM 0 HB3 GLN A 32 10.596 -11.398 -0.950 1.00 35.22 H new ATOM 0 HG2 GLN A 32 9.424 -12.437 0.753 1.00 62.34 H new ATOM 0 HG3 GLN A 32 8.604 -13.542 -0.332 1.00 62.34 H new ATOM 0 HE21 GLN A 32 9.067 -15.590 0.225 1.00 15.12 H new ATOM 0 HE22 GLN A 32 10.671 -16.199 0.646 1.00 15.12 H new ATOM 460 N PHE A 33 8.480 -9.430 -1.952 1.00 55.14 N ATOM 461 CA PHE A 33 8.705 -8.010 -2.163 1.00 0.30 C ATOM 462 C PHE A 33 8.339 -7.239 -0.901 1.00 41.53 C ATOM 463 O PHE A 33 7.763 -7.798 0.040 1.00 34.52 O ATOM 464 CB PHE A 33 7.918 -7.485 -3.371 1.00 64.23 C ATOM 465 CG PHE A 33 6.501 -7.956 -3.540 1.00 14.43 C ATOM 466 CD1 PHE A 33 5.458 -7.314 -2.852 1.00 21.11 C ATOM 467 CD2 PHE A 33 6.219 -8.933 -4.508 1.00 60.12 C ATOM 468 CE1 PHE A 33 4.131 -7.650 -3.157 1.00 53.13 C ATOM 469 CE2 PHE A 33 4.890 -9.275 -4.789 1.00 72.22 C ATOM 470 CZ PHE A 33 3.841 -8.642 -4.100 1.00 2.43 C ATOM 0 H PHE A 33 7.826 -9.623 -1.194 1.00 55.14 H new ATOM 0 HA PHE A 33 9.763 -7.860 -2.380 1.00 0.30 H new ATOM 0 HB2 PHE A 33 7.905 -6.396 -3.315 1.00 64.23 H new ATOM 0 HB3 PHE A 33 8.470 -7.752 -4.272 1.00 64.23 H new ATOM 0 HD1 PHE A 33 5.675 -6.572 -2.098 1.00 21.11 H new ATOM 0 HD2 PHE A 33 7.026 -9.420 -5.035 1.00 60.12 H new ATOM 0 HE1 PHE A 33 3.323 -7.136 -2.658 1.00 53.13 H new ATOM 0 HE2 PHE A 33 4.671 -10.025 -5.535 1.00 72.22 H new ATOM 0 HZ PHE A 33 2.816 -8.920 -4.298 1.00 2.43 H new ATOM 479 N THR A 34 8.634 -5.943 -0.906 1.00 11.31 N ATOM 480 CA THR A 34 8.229 -4.987 0.108 1.00 5.12 C ATOM 481 C THR A 34 7.471 -3.843 -0.582 1.00 0.30 C ATOM 482 O THR A 34 7.675 -3.621 -1.773 1.00 2.51 O ATOM 483 CB THR A 34 9.484 -4.487 0.843 1.00 23.11 C ATOM 484 OG1 THR A 34 10.366 -5.534 1.217 1.00 4.15 O ATOM 485 CG2 THR A 34 9.196 -3.745 2.142 1.00 72.23 C ATOM 0 H THR A 34 9.186 -5.516 -1.650 1.00 11.31 H new ATOM 0 HA THR A 34 7.567 -5.440 0.846 1.00 5.12 H new ATOM 0 HB THR A 34 9.928 -3.820 0.104 1.00 23.11 H new ATOM 0 HG1 THR A 34 11.144 -5.157 1.678 1.00 4.15 H new ATOM 0 HG21 THR A 34 10.135 -3.427 2.595 1.00 72.23 H new ATOM 0 HG22 THR A 34 8.580 -2.871 1.933 1.00 72.23 H new ATOM 0 HG23 THR A 34 8.667 -4.406 2.829 1.00 72.23 H new ATOM 493 N LEU A 35 6.637 -3.105 0.152 1.00 12.11 N ATOM 494 CA LEU A 35 5.956 -1.858 -0.205 1.00 11.40 C ATOM 495 C LEU A 35 6.073 -0.854 0.942 1.00 4.23 C ATOM 496 O LEU A 35 6.216 -1.252 2.103 1.00 12.20 O ATOM 497 CB LEU A 35 4.483 -2.166 -0.440 1.00 55.41 C ATOM 498 CG LEU A 35 4.207 -2.475 -1.913 1.00 54.21 C ATOM 499 CD1 LEU A 35 2.976 -3.356 -1.977 1.00 12.13 C ATOM 500 CD2 LEU A 35 3.936 -1.177 -2.669 1.00 23.23 C ATOM 0 H LEU A 35 6.398 -3.392 1.101 1.00 12.11 H new ATOM 0 HA LEU A 35 6.410 -1.435 -1.101 1.00 11.40 H new ATOM 0 HB2 LEU A 35 4.185 -3.016 0.174 1.00 55.41 H new ATOM 0 HB3 LEU A 35 3.877 -1.317 -0.125 1.00 55.41 H new ATOM 0 HG LEU A 35 5.065 -2.974 -2.363 1.00 54.21 H new ATOM 0 HD11 LEU A 35 2.753 -3.594 -3.017 1.00 12.13 H new ATOM 0 HD12 LEU A 35 3.159 -4.278 -1.425 1.00 12.13 H new ATOM 0 HD13 LEU A 35 2.129 -2.831 -1.535 1.00 12.13 H new ATOM 0 HD21 LEU A 35 3.740 -1.401 -3.718 1.00 23.23 H new ATOM 0 HD22 LEU A 35 3.069 -0.678 -2.236 1.00 23.23 H new ATOM 0 HD23 LEU A 35 4.805 -0.524 -2.594 1.00 23.23 H new ATOM 511 N SER A 36 5.949 0.437 0.641 1.00 54.33 N ATOM 512 CA SER A 36 5.955 1.498 1.647 1.00 53.03 C ATOM 513 C SER A 36 4.615 1.523 2.380 1.00 12.22 C ATOM 514 O SER A 36 3.565 1.390 1.756 1.00 14.42 O ATOM 515 CB SER A 36 6.196 2.858 0.992 1.00 53.12 C ATOM 516 OG SER A 36 7.428 2.881 0.307 1.00 52.25 O ATOM 0 H SER A 36 5.841 0.779 -0.314 1.00 54.33 H new ATOM 0 HA SER A 36 6.759 1.297 2.355 1.00 53.03 H new ATOM 0 HB2 SER A 36 5.386 3.079 0.297 1.00 53.12 H new ATOM 0 HB3 SER A 36 6.185 3.638 1.753 1.00 53.12 H new ATOM 0 HG SER A 36 7.557 3.761 -0.104 1.00 52.25 H new ATOM 521 N CYS A 37 4.625 1.745 3.697 1.00 40.05 N ATOM 522 CA CYS A 37 3.406 1.908 4.481 1.00 25.31 C ATOM 523 C CYS A 37 2.582 3.109 4.017 1.00 31.42 C ATOM 524 O CYS A 37 1.353 3.037 4.055 1.00 62.31 O ATOM 525 CB CYS A 37 3.740 2.068 5.967 1.00 71.34 C ATOM 526 SG CYS A 37 4.314 0.494 6.662 1.00 63.15 S ATOM 0 H CYS A 37 5.481 1.816 4.247 1.00 40.05 H new ATOM 0 HA CYS A 37 2.810 1.007 4.331 1.00 25.31 H new ATOM 0 HB2 CYS A 37 4.509 2.830 6.093 1.00 71.34 H new ATOM 0 HB3 CYS A 37 2.859 2.412 6.509 1.00 71.34 H new ATOM 0 HG CYS A 37 4.594 0.652 7.922 1.00 63.15 H new ATOM 531 N GLU A 38 3.209 4.213 3.602 1.00 44.23 N ATOM 532 CA GLU A 38 2.474 5.323 3.043 1.00 0.43 C ATOM 533 C GLU A 38 1.840 4.879 1.720 1.00 13.03 C ATOM 534 O GLU A 38 0.628 5.036 1.562 1.00 23.11 O ATOM 535 CB GLU A 38 3.330 6.603 3.013 1.00 72.13 C ATOM 536 CG GLU A 38 4.665 6.650 2.249 1.00 43.43 C ATOM 537 CD GLU A 38 4.551 6.396 0.749 1.00 13.14 C ATOM 538 OE1 GLU A 38 3.526 6.812 0.173 1.00 12.53 O ATOM 539 OE2 GLU A 38 5.455 5.713 0.214 1.00 61.24 O ATOM 0 H GLU A 38 4.219 4.351 3.647 1.00 44.23 H new ATOM 0 HA GLU A 38 1.638 5.615 3.679 1.00 0.43 H new ATOM 0 HB2 GLU A 38 2.703 7.396 2.607 1.00 72.13 H new ATOM 0 HB3 GLU A 38 3.546 6.866 4.048 1.00 72.13 H new ATOM 0 HG2 GLU A 38 5.123 7.627 2.404 1.00 43.43 H new ATOM 0 HG3 GLU A 38 5.340 5.910 2.679 1.00 43.43 H new ATOM 544 N LEU A 39 2.597 4.211 0.833 1.00 40.21 N ATOM 545 CA LEU A 39 2.106 3.868 -0.497 1.00 55.14 C ATOM 546 C LEU A 39 0.961 2.853 -0.357 1.00 54.02 C ATOM 547 O LEU A 39 0.058 2.823 -1.185 1.00 53.41 O ATOM 548 CB LEU A 39 3.244 3.401 -1.448 1.00 44.11 C ATOM 549 CG LEU A 39 2.958 3.415 -2.981 1.00 4.51 C ATOM 550 CD1 LEU A 39 2.438 2.089 -3.527 1.00 60.53 C ATOM 551 CD2 LEU A 39 2.153 4.627 -3.420 1.00 62.12 C ATOM 0 H LEU A 39 3.551 3.901 1.021 1.00 40.21 H new ATOM 0 HA LEU A 39 1.708 4.761 -0.979 1.00 55.14 H new ATOM 0 HB2 LEU A 39 4.115 4.030 -1.263 1.00 44.11 H new ATOM 0 HB3 LEU A 39 3.520 2.384 -1.167 1.00 44.11 H new ATOM 0 HG LEU A 39 3.932 3.529 -3.457 1.00 4.51 H new ATOM 0 HD11 LEU A 39 2.264 2.180 -4.599 1.00 60.53 H new ATOM 0 HD12 LEU A 39 3.175 1.306 -3.345 1.00 60.53 H new ATOM 0 HD13 LEU A 39 1.504 1.831 -3.028 1.00 60.53 H new ATOM 0 HD21 LEU A 39 1.985 4.582 -4.496 1.00 62.12 H new ATOM 0 HD22 LEU A 39 1.193 4.633 -2.903 1.00 62.12 H new ATOM 0 HD23 LEU A 39 2.702 5.536 -3.176 1.00 62.12 H new ATOM 562 N LEU A 40 0.924 2.057 0.719 1.00 22.44 N ATOM 563 CA LEU A 40 -0.226 1.229 1.086 1.00 3.00 C ATOM 564 C LEU A 40 -1.477 2.072 1.361 1.00 13.01 C ATOM 565 O LEU A 40 -2.556 1.745 0.859 1.00 12.02 O ATOM 566 CB LEU A 40 0.071 0.353 2.324 1.00 62.32 C ATOM 567 CG LEU A 40 0.469 -1.121 2.087 1.00 43.44 C ATOM 568 CD1 LEU A 40 -0.290 -1.835 0.960 1.00 64.54 C ATOM 569 CD2 LEU A 40 1.963 -1.259 1.834 1.00 41.42 C ATOM 0 H LEU A 40 1.706 1.971 1.368 1.00 22.44 H new ATOM 0 HA LEU A 40 -0.416 0.584 0.228 1.00 3.00 H new ATOM 0 HB2 LEU A 40 0.874 0.830 2.887 1.00 62.32 H new ATOM 0 HB3 LEU A 40 -0.814 0.362 2.961 1.00 62.32 H new ATOM 0 HG LEU A 40 0.183 -1.616 3.015 1.00 43.44 H new ATOM 0 HD11 LEU A 40 0.064 -2.862 0.877 1.00 64.54 H new ATOM 0 HD12 LEU A 40 -1.357 -1.836 1.184 1.00 64.54 H new ATOM 0 HD13 LEU A 40 -0.117 -1.314 0.018 1.00 64.54 H new ATOM 0 HD21 LEU A 40 2.209 -2.308 1.671 1.00 41.42 H new ATOM 0 HD22 LEU A 40 2.238 -0.681 0.952 1.00 41.42 H new ATOM 0 HD23 LEU A 40 2.514 -0.887 2.698 1.00 41.42 H new ATOM 580 N ARG A 41 -1.390 3.100 2.212 1.00 3.33 N ATOM 581 CA ARG A 41 -2.582 3.854 2.605 1.00 23.30 C ATOM 582 C ARG A 41 -3.071 4.707 1.452 1.00 11.13 C ATOM 583 O ARG A 41 -4.258 4.649 1.132 1.00 73.41 O ATOM 584 CB ARG A 41 -2.336 4.694 3.868 1.00 41.42 C ATOM 585 CG ARG A 41 -3.657 5.122 4.542 1.00 25.43 C ATOM 586 CD ARG A 41 -4.320 6.339 3.892 1.00 5.42 C ATOM 587 NE ARG A 41 -4.986 7.197 4.887 1.00 63.32 N ATOM 588 CZ ARG A 41 -6.057 7.962 4.652 1.00 12.21 C ATOM 589 NH1 ARG A 41 -6.591 8.060 3.436 1.00 51.12 N ATOM 590 NH2 ARG A 41 -6.587 8.666 5.643 1.00 12.20 N ATOM 0 H ARG A 41 -0.521 3.424 2.635 1.00 3.33 H new ATOM 0 HA ARG A 41 -3.366 3.139 2.854 1.00 23.30 H new ATOM 0 HB2 ARG A 41 -1.737 4.120 4.575 1.00 41.42 H new ATOM 0 HB3 ARG A 41 -1.758 5.580 3.607 1.00 41.42 H new ATOM 0 HG2 ARG A 41 -4.354 4.284 4.517 1.00 25.43 H new ATOM 0 HG3 ARG A 41 -3.463 5.344 5.591 1.00 25.43 H new ATOM 0 HD2 ARG A 41 -3.569 6.919 3.357 1.00 5.42 H new ATOM 0 HD3 ARG A 41 -5.049 6.005 3.154 1.00 5.42 H new ATOM 0 HE ARG A 41 -4.599 7.208 5.831 1.00 63.32 H new ATOM 0 HH11 ARG A 41 -6.183 7.544 2.657 1.00 51.12 H new ATOM 0 HH12 ARG A 41 -7.408 8.651 3.284 1.00 51.12 H new ATOM 0 HH21 ARG A 41 -6.178 8.621 6.576 1.00 12.20 H new ATOM 0 HH22 ARG A 41 -7.404 9.252 5.472 1.00 12.20 H new ATOM 601 N VAL A 42 -2.198 5.533 0.876 1.00 2.30 N ATOM 602 CA VAL A 42 -2.583 6.451 -0.188 1.00 24.13 C ATOM 603 C VAL A 42 -3.143 5.623 -1.359 1.00 62.33 C ATOM 604 O VAL A 42 -4.238 5.913 -1.842 1.00 61.41 O ATOM 605 CB VAL A 42 -1.425 7.421 -0.518 1.00 72.34 C ATOM 606 CG1 VAL A 42 -0.749 8.012 0.731 1.00 24.21 C ATOM 607 CG2 VAL A 42 -0.380 6.835 -1.451 1.00 15.20 C ATOM 0 H VAL A 42 -1.212 5.583 1.133 1.00 2.30 H new ATOM 0 HA VAL A 42 -3.388 7.121 0.114 1.00 24.13 H new ATOM 0 HB VAL A 42 -1.916 8.236 -1.050 1.00 72.34 H new ATOM 0 HG11 VAL A 42 0.054 8.683 0.427 1.00 24.21 H new ATOM 0 HG12 VAL A 42 -1.484 8.566 1.315 1.00 24.21 H new ATOM 0 HG13 VAL A 42 -0.337 7.206 1.338 1.00 24.21 H new ATOM 0 HG21 VAL A 42 0.399 7.575 -1.635 1.00 15.20 H new ATOM 0 HG22 VAL A 42 0.061 5.950 -0.993 1.00 15.20 H new ATOM 0 HG23 VAL A 42 -0.849 6.559 -2.395 1.00 15.20 H new ATOM 617 N TYR A 43 -2.486 4.520 -1.738 1.00 15.01 N ATOM 618 CA TYR A 43 -2.913 3.665 -2.838 1.00 40.14 C ATOM 619 C TYR A 43 -3.915 2.605 -2.352 1.00 42.41 C ATOM 620 O TYR A 43 -3.766 1.406 -2.606 1.00 42.52 O ATOM 621 CB TYR A 43 -1.676 3.092 -3.558 1.00 23.35 C ATOM 622 CG TYR A 43 -1.763 3.153 -5.062 1.00 24.52 C ATOM 623 CD1 TYR A 43 -2.948 2.751 -5.709 1.00 43.23 C ATOM 624 CD2 TYR A 43 -0.698 3.712 -5.795 1.00 73.13 C ATOM 625 CE1 TYR A 43 -3.120 2.969 -7.084 1.00 62.14 C ATOM 626 CE2 TYR A 43 -0.902 3.993 -7.159 1.00 45.15 C ATOM 627 CZ TYR A 43 -2.100 3.623 -7.807 1.00 31.41 C ATOM 628 OH TYR A 43 -2.252 3.863 -9.134 1.00 32.50 O ATOM 0 H TYR A 43 -1.633 4.198 -1.280 1.00 15.01 H new ATOM 0 HA TYR A 43 -3.458 4.248 -3.580 1.00 40.14 H new ATOM 0 HB2 TYR A 43 -0.792 3.640 -3.232 1.00 23.35 H new ATOM 0 HB3 TYR A 43 -1.538 2.055 -3.253 1.00 23.35 H new ATOM 0 HD1 TYR A 43 -3.731 2.271 -5.141 1.00 43.23 H new ATOM 0 HD2 TYR A 43 0.251 3.920 -5.323 1.00 73.13 H new ATOM 0 HE1 TYR A 43 -4.020 2.641 -7.582 1.00 62.14 H new ATOM 0 HE2 TYR A 43 -0.130 4.500 -7.719 1.00 45.15 H new ATOM 0 HH TYR A 43 -1.738 4.659 -9.383 1.00 32.50 H new ATOM 637 N SER A 44 -4.944 3.033 -1.612 1.00 53.24 N ATOM 638 CA SER A 44 -5.988 2.130 -1.163 1.00 12.03 C ATOM 639 C SER A 44 -6.892 1.733 -2.347 1.00 62.13 C ATOM 640 O SER A 44 -7.273 2.628 -3.113 1.00 24.34 O ATOM 641 CB SER A 44 -6.801 2.817 -0.055 1.00 3.02 C ATOM 642 OG SER A 44 -7.247 4.110 -0.439 1.00 22.10 O ATOM 0 H SER A 44 -5.068 4.001 -1.316 1.00 53.24 H new ATOM 0 HA SER A 44 -5.543 1.219 -0.763 1.00 12.03 H new ATOM 0 HB2 SER A 44 -7.662 2.198 0.198 1.00 3.02 H new ATOM 0 HB3 SER A 44 -6.190 2.897 0.844 1.00 3.02 H new ATOM 0 HG SER A 44 -7.416 4.124 -1.404 1.00 22.10 H new ATOM 647 N PRO A 45 -7.389 0.480 -2.407 1.00 3.45 N ATOM 648 CA PRO A 45 -8.384 0.013 -3.379 1.00 21.44 C ATOM 649 C PRO A 45 -9.807 0.495 -3.068 1.00 43.05 C ATOM 650 O PRO A 45 -10.740 0.220 -3.822 1.00 24.14 O ATOM 651 CB PRO A 45 -8.345 -1.514 -3.296 1.00 40.11 C ATOM 652 CG PRO A 45 -7.962 -1.751 -1.841 1.00 31.53 C ATOM 653 CD PRO A 45 -6.954 -0.637 -1.586 1.00 62.24 C ATOM 0 HA PRO A 45 -8.143 0.406 -4.367 1.00 21.44 H new ATOM 0 HB2 PRO A 45 -9.310 -1.959 -3.540 1.00 40.11 H new ATOM 0 HB3 PRO A 45 -7.614 -1.940 -3.983 1.00 40.11 H new ATOM 0 HG2 PRO A 45 -8.823 -1.680 -1.177 1.00 31.53 H new ATOM 0 HG3 PRO A 45 -7.524 -2.738 -1.691 1.00 31.53 H new ATOM 0 HD2 PRO A 45 -6.932 -0.363 -0.531 1.00 62.24 H new ATOM 0 HD3 PRO A 45 -5.946 -0.952 -1.855 1.00 62.24 H new ATOM 658 N SER A 46 -9.995 1.169 -1.941 1.00 35.35 N ATOM 659 CA SER A 46 -11.245 1.766 -1.510 1.00 12.02 C ATOM 660 C SER A 46 -11.078 3.286 -1.581 1.00 21.40 C ATOM 661 O SER A 46 -11.079 3.990 -0.565 1.00 73.33 O ATOM 662 CB SER A 46 -11.597 1.198 -0.132 1.00 20.24 C ATOM 663 OG SER A 46 -10.463 1.050 0.714 1.00 11.20 O ATOM 0 H SER A 46 -9.240 1.320 -1.272 1.00 35.35 H new ATOM 0 HA SER A 46 -12.095 1.524 -2.148 1.00 12.02 H new ATOM 0 HB2 SER A 46 -12.321 1.854 0.351 1.00 20.24 H new ATOM 0 HB3 SER A 46 -12.079 0.229 -0.257 1.00 20.24 H new ATOM 0 HG SER A 46 -10.745 0.686 1.579 1.00 11.20 H new ATOM 777 N VAL A 56 -10.319 10.917 -5.278 1.00 23.20 N ATOM 778 CA VAL A 56 -9.726 12.091 -4.653 1.00 2.01 C ATOM 779 C VAL A 56 -8.200 11.924 -4.638 1.00 53.31 C ATOM 780 O VAL A 56 -7.685 10.804 -4.685 1.00 23.33 O ATOM 781 CB VAL A 56 -10.274 12.313 -3.219 1.00 75.31 C ATOM 782 CG1 VAL A 56 -11.797 12.172 -3.095 1.00 12.32 C ATOM 783 CG2 VAL A 56 -9.621 11.384 -2.189 1.00 3.10 C ATOM 0 HA VAL A 56 -9.993 12.975 -5.232 1.00 2.01 H new ATOM 0 HB VAL A 56 -10.011 13.349 -3.007 1.00 75.31 H new ATOM 0 HG11 VAL A 56 -12.095 12.343 -2.061 1.00 12.32 H new ATOM 0 HG12 VAL A 56 -12.284 12.905 -3.739 1.00 12.32 H new ATOM 0 HG13 VAL A 56 -12.095 11.168 -3.398 1.00 12.32 H new ATOM 0 HG21 VAL A 56 -10.041 11.582 -1.203 1.00 3.10 H new ATOM 0 HG22 VAL A 56 -9.811 10.346 -2.463 1.00 3.10 H new ATOM 0 HG23 VAL A 56 -8.546 11.563 -2.168 1.00 3.10 H new ATOM 793 N LEU A 57 -7.478 13.031 -4.477 1.00 4.24 N ATOM 794 CA LEU A 57 -6.049 13.023 -4.199 1.00 44.31 C ATOM 795 C LEU A 57 -5.830 12.738 -2.712 1.00 24.13 C ATOM 796 O LEU A 57 -6.566 13.248 -1.863 1.00 2.14 O ATOM 797 CB LEU A 57 -5.477 14.400 -4.574 1.00 34.44 C ATOM 798 CG LEU A 57 -3.939 14.442 -4.632 1.00 23.24 C ATOM 799 CD1 LEU A 57 -3.359 13.766 -5.880 1.00 15.22 C ATOM 800 CD2 LEU A 57 -3.452 15.893 -4.615 1.00 42.11 C ATOM 0 H LEU A 57 -7.876 13.968 -4.537 1.00 4.24 H new ATOM 0 HA LEU A 57 -5.545 12.250 -4.780 1.00 44.31 H new ATOM 0 HB2 LEU A 57 -5.876 14.696 -5.544 1.00 34.44 H new ATOM 0 HB3 LEU A 57 -5.824 15.136 -3.849 1.00 34.44 H new ATOM 0 HG LEU A 57 -3.593 13.893 -3.756 1.00 23.24 H new ATOM 0 HD11 LEU A 57 -2.271 13.832 -5.857 1.00 15.22 H new ATOM 0 HD12 LEU A 57 -3.659 12.718 -5.899 1.00 15.22 H new ATOM 0 HD13 LEU A 57 -3.734 14.267 -6.773 1.00 15.22 H new ATOM 0 HD21 LEU A 57 -2.363 15.912 -4.656 1.00 42.11 H new ATOM 0 HD22 LEU A 57 -3.857 16.423 -5.477 1.00 42.11 H new ATOM 0 HD23 LEU A 57 -3.789 16.379 -3.699 1.00 42.11 H new ATOM 811 N VAL A 58 -4.784 11.990 -2.370 1.00 41.23 N ATOM 812 CA VAL A 58 -4.304 11.777 -1.015 1.00 44.15 C ATOM 813 C VAL A 58 -2.857 12.283 -0.907 1.00 0.03 C ATOM 814 O VAL A 58 -2.102 12.328 -1.876 1.00 42.34 O ATOM 815 CB VAL A 58 -4.537 10.299 -0.619 1.00 13.22 C ATOM 816 CG1 VAL A 58 -4.155 9.329 -1.722 1.00 20.10 C ATOM 817 CG2 VAL A 58 -3.838 9.954 0.694 1.00 40.32 C ATOM 0 H VAL A 58 -4.225 11.495 -3.065 1.00 41.23 H new ATOM 0 HA VAL A 58 -4.862 12.357 -0.280 1.00 44.15 H new ATOM 0 HB VAL A 58 -5.610 10.187 -0.466 1.00 13.22 H new ATOM 0 HG11 VAL A 58 -4.339 8.308 -1.388 1.00 20.10 H new ATOM 0 HG12 VAL A 58 -4.753 9.534 -2.610 1.00 20.10 H new ATOM 0 HG13 VAL A 58 -3.098 9.447 -1.961 1.00 20.10 H new ATOM 0 HG21 VAL A 58 -4.023 8.909 0.941 1.00 40.32 H new ATOM 0 HG22 VAL A 58 -2.765 10.118 0.589 1.00 40.32 H new ATOM 0 HG23 VAL A 58 -4.226 10.589 1.490 1.00 40.32 H new ATOM 827 N THR A 59 -2.489 12.724 0.291 1.00 20.40 N ATOM 828 CA THR A 59 -1.240 13.386 0.663 1.00 14.32 C ATOM 829 C THR A 59 -0.229 12.373 1.219 1.00 11.43 C ATOM 830 O THR A 59 -0.603 11.220 1.454 1.00 64.52 O ATOM 831 CB THR A 59 -1.627 14.449 1.714 1.00 40.11 C ATOM 832 OG1 THR A 59 -2.493 13.881 2.692 1.00 40.21 O ATOM 833 CG2 THR A 59 -2.356 15.610 1.026 1.00 13.53 C ATOM 0 H THR A 59 -3.107 12.620 1.095 1.00 20.40 H new ATOM 0 HA THR A 59 -0.753 13.848 -0.196 1.00 14.32 H new ATOM 0 HB THR A 59 -0.719 14.809 2.197 1.00 40.11 H new ATOM 0 HG1 THR A 59 -2.731 14.563 3.354 1.00 40.21 H new ATOM 0 HG21 THR A 59 -2.629 16.360 1.769 1.00 13.53 H new ATOM 0 HG22 THR A 59 -1.701 16.060 0.280 1.00 13.53 H new ATOM 0 HG23 THR A 59 -3.257 15.237 0.540 1.00 13.53 H new ATOM 841 N HIS A 60 1.010 12.794 1.521 1.00 2.21 N ATOM 842 CA HIS A 60 1.940 11.978 2.316 1.00 73.41 C ATOM 843 C HIS A 60 1.320 11.644 3.680 1.00 15.23 C ATOM 844 O HIS A 60 0.328 12.259 4.084 1.00 13.24 O ATOM 845 CB HIS A 60 3.269 12.696 2.568 1.00 1.15 C ATOM 846 CG HIS A 60 4.071 13.190 1.405 1.00 51.01 C ATOM 847 ND1 HIS A 60 5.172 13.998 1.537 1.00 2.12 N ATOM 848 CD2 HIS A 60 3.904 12.915 0.078 1.00 31.12 C ATOM 849 CE1 HIS A 60 5.663 14.213 0.309 1.00 64.23 C ATOM 850 NE2 HIS A 60 4.925 13.573 -0.611 1.00 42.13 N ATOM 0 H HIS A 60 1.390 13.694 1.227 1.00 2.21 H new ATOM 0 HA HIS A 60 2.129 11.072 1.740 1.00 73.41 H new ATOM 0 HB2 HIS A 60 3.061 13.553 3.209 1.00 1.15 H new ATOM 0 HB3 HIS A 60 3.904 12.018 3.138 1.00 1.15 H new ATOM 0 HD1 HIS A 60 5.548 14.367 2.410 1.00 2.12 H new ATOM 0 HD2 HIS A 60 3.128 12.303 -0.357 1.00 31.12 H new ATOM 0 HE1 HIS A 60 6.531 14.817 0.090 1.00 64.23 H new ATOM 857 N LYS A 61 1.909 10.716 4.441 1.00 13.52 N ATOM 858 CA LYS A 61 1.336 10.211 5.685 1.00 33.23 C ATOM 859 C LYS A 61 2.422 10.164 6.750 1.00 31.14 C ATOM 860 O LYS A 61 3.373 9.401 6.637 1.00 20.52 O ATOM 861 CB LYS A 61 0.749 8.799 5.456 1.00 21.34 C ATOM 862 CG LYS A 61 -0.296 8.644 4.332 1.00 60.45 C ATOM 863 CD LYS A 61 -1.723 9.033 4.731 1.00 42.11 C ATOM 864 CE LYS A 61 -1.957 10.531 4.889 1.00 4.11 C ATOM 865 NZ LYS A 61 -2.359 11.174 3.626 1.00 24.44 N ATOM 0 H LYS A 61 2.806 10.292 4.205 1.00 13.52 H new ATOM 0 HA LYS A 61 0.534 10.871 6.017 1.00 33.23 H new ATOM 0 HB2 LYS A 61 1.575 8.120 5.245 1.00 21.34 H new ATOM 0 HB3 LYS A 61 0.293 8.467 6.389 1.00 21.34 H new ATOM 0 HG2 LYS A 61 0.009 9.255 3.483 1.00 60.45 H new ATOM 0 HG3 LYS A 61 -0.297 7.608 3.995 1.00 60.45 H new ATOM 0 HD2 LYS A 61 -2.413 8.649 3.979 1.00 42.11 H new ATOM 0 HD3 LYS A 61 -1.969 8.540 5.671 1.00 42.11 H new ATOM 0 HE2 LYS A 61 -2.729 10.698 5.640 1.00 4.11 H new ATOM 0 HE3 LYS A 61 -1.046 11.001 5.259 1.00 4.11 H new ATOM 0 HZ1 LYS A 61 -2.391 12.205 3.756 1.00 24.44 H new ATOM 0 HZ2 LYS A 61 -1.670 10.940 2.883 1.00 24.44 H new ATOM 0 HZ3 LYS A 61 -3.300 10.831 3.346 1.00 24.44 H new ATOM 875 N LYS A 62 2.218 10.970 7.795 1.00 72.23 N ATOM 876 CA LYS A 62 3.180 11.373 8.811 1.00 13.10 C ATOM 877 C LYS A 62 4.056 10.232 9.339 1.00 33.32 C ATOM 878 O LYS A 62 5.270 10.283 9.165 1.00 64.11 O ATOM 879 CB LYS A 62 2.486 12.184 9.933 1.00 52.51 C ATOM 880 CG LYS A 62 1.042 11.747 10.280 1.00 24.11 C ATOM 881 CD LYS A 62 -0.028 12.562 9.512 1.00 23.12 C ATOM 882 CE LYS A 62 -1.210 11.647 9.139 1.00 72.44 C ATOM 883 NZ LYS A 62 -2.476 12.350 8.819 1.00 41.14 N ATOM 0 H LYS A 62 1.302 11.388 7.961 1.00 72.23 H new ATOM 0 HA LYS A 62 3.893 12.034 8.318 1.00 13.10 H new ATOM 0 HB2 LYS A 62 3.094 12.115 10.835 1.00 52.51 H new ATOM 0 HB3 LYS A 62 2.468 13.234 9.640 1.00 52.51 H new ATOM 0 HG2 LYS A 62 0.922 10.688 10.050 1.00 24.11 H new ATOM 0 HG3 LYS A 62 0.880 11.861 11.352 1.00 24.11 H new ATOM 0 HD2 LYS A 62 -0.378 13.391 10.127 1.00 23.12 H new ATOM 0 HD3 LYS A 62 0.408 12.995 8.611 1.00 23.12 H new ATOM 0 HE2 LYS A 62 -0.922 11.041 8.280 1.00 72.44 H new ATOM 0 HE3 LYS A 62 -1.393 10.961 9.966 1.00 72.44 H new ATOM 0 HZ1 LYS A 62 -3.146 11.681 8.389 1.00 41.14 H new ATOM 0 HZ2 LYS A 62 -2.887 12.739 9.692 1.00 41.14 H new ATOM 0 HZ3 LYS A 62 -2.284 13.124 8.152 1.00 41.14 H new ATOM 893 N ASN A 63 3.496 9.238 10.031 1.00 32.40 N ATOM 894 CA ASN A 63 4.295 8.267 10.797 1.00 62.32 C ATOM 895 C ASN A 63 3.765 6.848 10.627 1.00 33.31 C ATOM 896 O ASN A 63 3.922 6.022 11.521 1.00 72.45 O ATOM 897 CB ASN A 63 4.399 8.717 12.267 1.00 65.42 C ATOM 898 CG ASN A 63 5.503 9.753 12.401 1.00 15.25 C ATOM 899 OD1 ASN A 63 6.684 9.414 12.464 1.00 3.14 O ATOM 900 ND2 ASN A 63 5.175 11.030 12.407 1.00 3.11 N ATOM 0 H ASN A 63 2.489 9.080 10.079 1.00 32.40 H new ATOM 0 HA ASN A 63 5.310 8.242 10.400 1.00 62.32 H new ATOM 0 HB2 ASN A 63 3.449 9.137 12.598 1.00 65.42 H new ATOM 0 HB3 ASN A 63 4.610 7.860 12.907 1.00 65.42 H new ATOM 0 HD21 ASN A 63 5.902 11.743 12.464 1.00 3.11 H new ATOM 0 HD22 ASN A 63 4.194 11.305 12.355 1.00 3.11 H new ATOM 906 N VAL A 64 3.124 6.578 9.487 1.00 33.55 N ATOM 907 CA VAL A 64 2.301 5.408 9.243 1.00 14.14 C ATOM 908 C VAL A 64 2.965 4.108 9.711 1.00 42.11 C ATOM 909 O VAL A 64 4.007 3.691 9.197 1.00 0.44 O ATOM 910 CB VAL A 64 1.826 5.410 7.783 1.00 4.44 C ATOM 911 CG1 VAL A 64 2.953 5.548 6.763 1.00 53.54 C ATOM 912 CG2 VAL A 64 0.897 4.230 7.505 1.00 13.55 C ATOM 0 H VAL A 64 3.171 7.200 8.680 1.00 33.55 H new ATOM 0 HA VAL A 64 1.405 5.460 9.862 1.00 14.14 H new ATOM 0 HB VAL A 64 1.241 6.320 7.649 1.00 4.44 H new ATOM 0 HG11 VAL A 64 2.535 5.541 5.756 1.00 53.54 H new ATOM 0 HG12 VAL A 64 3.482 6.486 6.930 1.00 53.54 H new ATOM 0 HG13 VAL A 64 3.648 4.715 6.873 1.00 53.54 H new ATOM 0 HG21 VAL A 64 0.576 4.257 6.464 1.00 13.55 H new ATOM 0 HG22 VAL A 64 1.426 3.297 7.698 1.00 13.55 H new ATOM 0 HG23 VAL A 64 0.024 4.293 8.155 1.00 13.55 H new ATOM 922 N ASN A 65 2.366 3.453 10.706 1.00 14.41 N ATOM 923 CA ASN A 65 2.810 2.175 11.257 1.00 13.43 C ATOM 924 C ASN A 65 1.576 1.364 11.596 1.00 55.22 C ATOM 925 O ASN A 65 0.782 1.750 12.457 1.00 55.53 O ATOM 926 CB ASN A 65 3.625 2.364 12.537 1.00 33.44 C ATOM 927 CG ASN A 65 5.137 2.311 12.380 1.00 22.23 C ATOM 928 OD1 ASN A 65 5.809 1.759 13.241 1.00 73.11 O ATOM 929 ND2 ASN A 65 5.724 2.813 11.309 1.00 53.14 N ATOM 0 H ASN A 65 1.529 3.811 11.166 1.00 14.41 H new ATOM 0 HA ASN A 65 3.440 1.676 10.521 1.00 13.43 H new ATOM 0 HB2 ASN A 65 3.359 3.326 12.975 1.00 33.44 H new ATOM 0 HB3 ASN A 65 3.327 1.596 13.251 1.00 33.44 H new ATOM 0 HD21 ASN A 65 6.736 2.740 11.201 1.00 53.14 H new ATOM 0 HD22 ASN A 65 5.166 3.273 10.590 1.00 53.14 H new ATOM 935 N ILE A 66 1.427 0.242 10.908 1.00 13.42 N ATOM 936 CA ILE A 66 0.250 -0.626 10.958 1.00 53.23 C ATOM 937 C ILE A 66 0.025 -1.162 12.370 1.00 11.22 C ATOM 938 O ILE A 66 0.949 -1.670 13.012 1.00 1.24 O ATOM 939 CB ILE A 66 0.385 -1.777 9.938 1.00 1.02 C ATOM 940 CG1 ILE A 66 0.422 -1.192 8.516 1.00 4.21 C ATOM 941 CG2 ILE A 66 -0.712 -2.850 10.076 1.00 32.11 C ATOM 942 CD1 ILE A 66 0.486 -2.281 7.460 1.00 41.34 C ATOM 0 H ILE A 66 2.147 -0.106 10.275 1.00 13.42 H new ATOM 0 HA ILE A 66 -0.625 -0.034 10.688 1.00 53.23 H new ATOM 0 HB ILE A 66 1.321 -2.295 10.148 1.00 1.02 H new ATOM 0 HG12 ILE A 66 -0.464 -0.578 8.352 1.00 4.21 H new ATOM 0 HG13 ILE A 66 1.287 -0.536 8.415 1.00 4.21 H new ATOM 0 HG21 ILE A 66 -0.556 -3.628 9.329 1.00 32.11 H new ATOM 0 HG22 ILE A 66 -0.668 -3.290 11.072 1.00 32.11 H new ATOM 0 HG23 ILE A 66 -1.690 -2.392 9.925 1.00 32.11 H new ATOM 0 HD11 ILE A 66 0.511 -1.826 6.470 1.00 41.34 H new ATOM 0 HD12 ILE A 66 1.386 -2.878 7.608 1.00 41.34 H new ATOM 0 HD13 ILE A 66 -0.392 -2.921 7.544 1.00 41.34 H new ATOM 953 N ASN A 67 -1.235 -1.122 12.799 1.00 72.42 N ATOM 954 CA ASN A 67 -1.734 -1.664 14.051 1.00 3.14 C ATOM 955 C ASN A 67 -1.699 -3.183 13.950 1.00 44.23 C ATOM 956 O ASN A 67 -1.047 -3.851 14.758 1.00 0.44 O ATOM 957 CB ASN A 67 -3.168 -1.149 14.308 1.00 24.11 C ATOM 958 CG ASN A 67 -3.270 -0.316 15.572 1.00 64.21 C ATOM 959 OD1 ASN A 67 -3.665 -0.808 16.626 1.00 44.33 O ATOM 960 ND2 ASN A 67 -2.960 0.960 15.448 1.00 73.42 N ATOM 0 H ASN A 67 -1.973 -0.685 12.247 1.00 72.42 H new ATOM 0 HA ASN A 67 -1.116 -1.344 14.890 1.00 3.14 H new ATOM 0 HB2 ASN A 67 -3.494 -0.552 13.456 1.00 24.11 H new ATOM 0 HB3 ASN A 67 -3.848 -1.998 14.381 1.00 24.11 H new ATOM 0 HD21 ASN A 67 -3.044 1.585 16.249 1.00 73.42 H new ATOM 0 HD22 ASN A 67 -2.636 1.321 14.551 1.00 73.42 H new ATOM 966 N ALA A 68 -2.363 -3.719 12.921 1.00 33.34 N ATOM 967 CA ALA A 68 -2.738 -5.115 12.820 1.00 22.45 C ATOM 968 C ALA A 68 -2.990 -5.497 11.361 1.00 15.22 C ATOM 969 O ALA A 68 -3.231 -4.634 10.515 1.00 12.10 O ATOM 970 CB ALA A 68 -4.031 -5.292 13.621 1.00 31.10 C ATOM 0 H ALA A 68 -2.659 -3.168 12.115 1.00 33.34 H new ATOM 0 HA ALA A 68 -1.940 -5.751 13.204 1.00 22.45 H new ATOM 0 HB1 ALA A 68 -4.350 -6.333 13.571 1.00 31.10 H new ATOM 0 HB2 ALA A 68 -3.856 -5.015 14.661 1.00 31.10 H new ATOM 0 HB3 ALA A 68 -4.809 -4.654 13.202 1.00 31.10 H new ATOM 976 N ILE A 69 -3.006 -6.800 11.090 1.00 61.21 N ATOM 977 CA ILE A 69 -3.310 -7.401 9.797 1.00 53.43 C ATOM 978 C ILE A 69 -4.290 -8.520 10.073 1.00 35.13 C ATOM 979 O ILE A 69 -4.015 -9.373 10.922 1.00 14.12 O ATOM 980 CB ILE A 69 -2.034 -7.954 9.137 1.00 63.41 C ATOM 981 CG1 ILE A 69 -1.058 -6.787 8.855 1.00 33.22 C ATOM 982 CG2 ILE A 69 -2.318 -8.769 7.859 1.00 0.42 C ATOM 983 CD1 ILE A 69 0.220 -7.183 8.117 1.00 34.11 C ATOM 0 H ILE A 69 -2.797 -7.499 11.803 1.00 61.21 H new ATOM 0 HA ILE A 69 -3.728 -6.665 9.110 1.00 53.43 H new ATOM 0 HB ILE A 69 -1.576 -8.655 9.835 1.00 63.41 H new ATOM 0 HG12 ILE A 69 -1.579 -6.030 8.269 1.00 33.22 H new ATOM 0 HG13 ILE A 69 -0.784 -6.324 9.803 1.00 33.22 H new ATOM 0 HG21 ILE A 69 -1.378 -9.131 7.442 1.00 0.42 H new ATOM 0 HG22 ILE A 69 -2.957 -9.617 8.103 1.00 0.42 H new ATOM 0 HG23 ILE A 69 -2.820 -8.135 7.127 1.00 0.42 H new ATOM 0 HD11 ILE A 69 0.841 -6.300 7.965 1.00 34.11 H new ATOM 0 HD12 ILE A 69 0.770 -7.915 8.708 1.00 34.11 H new ATOM 0 HD13 ILE A 69 -0.037 -7.617 7.151 1.00 34.11 H new ATOM 994 N THR A 70 -5.398 -8.542 9.338 1.00 23.45 N ATOM 995 CA THR A 70 -6.449 -9.515 9.579 1.00 23.31 C ATOM 996 C THR A 70 -7.016 -10.027 8.252 1.00 4.20 C ATOM 997 O THR A 70 -7.531 -9.228 7.478 1.00 1.10 O ATOM 998 CB THR A 70 -7.522 -8.819 10.430 1.00 53.02 C ATOM 999 OG1 THR A 70 -6.959 -8.297 11.625 1.00 53.05 O ATOM 1000 CG2 THR A 70 -8.706 -9.723 10.748 1.00 3.24 C ATOM 0 H THR A 70 -5.588 -7.896 8.572 1.00 23.45 H new ATOM 0 HA THR A 70 -6.067 -10.388 10.109 1.00 23.31 H new ATOM 0 HB THR A 70 -7.907 -7.996 9.828 1.00 53.02 H new ATOM 0 HG1 THR A 70 -7.659 -7.857 12.151 1.00 53.05 H new ATOM 0 HG21 THR A 70 -9.430 -9.175 11.351 1.00 3.24 H new ATOM 0 HG22 THR A 70 -9.177 -10.046 9.820 1.00 3.24 H new ATOM 0 HG23 THR A 70 -8.359 -10.596 11.301 1.00 3.24 H new ATOM 1008 N PRO A 71 -6.907 -11.325 7.945 1.00 42.31 N ATOM 1009 CA PRO A 71 -7.396 -11.884 6.691 1.00 12.33 C ATOM 1010 C PRO A 71 -8.928 -11.891 6.642 1.00 33.13 C ATOM 1011 O PRO A 71 -9.605 -11.954 7.677 1.00 21.21 O ATOM 1012 CB PRO A 71 -6.778 -13.281 6.625 1.00 61.44 C ATOM 1013 CG PRO A 71 -6.625 -13.662 8.097 1.00 63.41 C ATOM 1014 CD PRO A 71 -6.335 -12.350 8.793 1.00 72.31 C ATOM 0 HA PRO A 71 -7.109 -11.292 5.822 1.00 12.33 H new ATOM 0 HB2 PRO A 71 -7.421 -13.981 6.092 1.00 61.44 H new ATOM 0 HB3 PRO A 71 -5.818 -13.273 6.109 1.00 61.44 H new ATOM 0 HG2 PRO A 71 -7.532 -14.126 8.484 1.00 63.41 H new ATOM 0 HG3 PRO A 71 -5.815 -14.377 8.241 1.00 63.41 H new ATOM 0 HD2 PRO A 71 -6.779 -12.328 9.788 1.00 72.31 H new ATOM 0 HD3 PRO A 71 -5.262 -12.201 8.919 1.00 72.31 H new ATOM 1019 N VAL A 72 -9.463 -11.817 5.423 1.00 0.33 N ATOM 1020 CA VAL A 72 -10.883 -11.866 5.115 1.00 73.34 C ATOM 1021 C VAL A 72 -11.026 -12.664 3.821 1.00 31.32 C ATOM 1022 O VAL A 72 -10.347 -12.382 2.826 1.00 41.43 O ATOM 1023 CB VAL A 72 -11.462 -10.442 4.973 1.00 41.23 C ATOM 1024 CG1 VAL A 72 -12.961 -10.481 4.635 1.00 43.11 C ATOM 1025 CG2 VAL A 72 -11.267 -9.604 6.251 1.00 71.41 C ATOM 0 H VAL A 72 -8.886 -11.717 4.588 1.00 0.33 H new ATOM 0 HA VAL A 72 -11.444 -12.344 5.918 1.00 73.34 H new ATOM 0 HB VAL A 72 -10.912 -9.973 4.158 1.00 41.23 H new ATOM 0 HG11 VAL A 72 -13.340 -9.463 4.542 1.00 43.11 H new ATOM 0 HG12 VAL A 72 -13.108 -11.011 3.694 1.00 43.11 H new ATOM 0 HG13 VAL A 72 -13.500 -10.997 5.430 1.00 43.11 H new ATOM 0 HG21 VAL A 72 -11.690 -8.611 6.103 1.00 71.41 H new ATOM 0 HG22 VAL A 72 -11.770 -10.092 7.086 1.00 71.41 H new ATOM 0 HG23 VAL A 72 -10.203 -9.516 6.470 1.00 71.41 H new ATOM 1035 N GLY A 73 -11.904 -13.669 3.833 1.00 43.25 N ATOM 1036 CA GLY A 73 -12.217 -14.497 2.676 1.00 33.15 C ATOM 1037 C GLY A 73 -11.040 -15.333 2.182 1.00 75.34 C ATOM 1038 O GLY A 73 -11.163 -16.027 1.174 1.00 1.13 O ATOM 0 H GLY A 73 -12.427 -13.932 4.668 1.00 43.25 H new ATOM 0 HA2 GLY A 73 -13.042 -15.162 2.929 1.00 33.15 H new ATOM 0 HA3 GLY A 73 -12.562 -13.856 1.864 1.00 33.15 H new ATOM 1042 N ASN A 74 -9.895 -15.300 2.868 1.00 72.31 N ATOM 1043 CA ASN A 74 -8.628 -15.927 2.492 1.00 5.10 C ATOM 1044 C ASN A 74 -8.109 -15.438 1.134 1.00 53.53 C ATOM 1045 O ASN A 74 -7.194 -16.031 0.554 1.00 43.33 O ATOM 1046 CB ASN A 74 -8.735 -17.456 2.573 1.00 3.23 C ATOM 1047 CG ASN A 74 -9.407 -17.903 3.862 1.00 5.03 C ATOM 1048 OD1 ASN A 74 -8.854 -17.780 4.950 1.00 51.33 O ATOM 1049 ND2 ASN A 74 -10.641 -18.382 3.800 1.00 61.43 N ATOM 0 H ASN A 74 -9.825 -14.803 3.756 1.00 72.31 H new ATOM 0 HA ASN A 74 -7.876 -15.614 3.216 1.00 5.10 H new ATOM 0 HB2 ASN A 74 -9.302 -17.827 1.719 1.00 3.23 H new ATOM 0 HB3 ASN A 74 -7.739 -17.895 2.510 1.00 3.23 H new ATOM 0 HD21 ASN A 74 -11.129 -18.647 4.656 1.00 61.43 H new ATOM 0 HD22 ASN A 74 -11.103 -18.485 2.897 1.00 61.43 H new ATOM 1055 N TYR A 75 -8.687 -14.349 0.617 1.00 41.44 N ATOM 1056 CA TYR A 75 -8.327 -13.695 -0.632 1.00 32.32 C ATOM 1057 C TYR A 75 -7.843 -12.262 -0.392 1.00 12.02 C ATOM 1058 O TYR A 75 -7.437 -11.595 -1.343 1.00 15.20 O ATOM 1059 CB TYR A 75 -9.476 -13.785 -1.654 1.00 54.25 C ATOM 1060 CG TYR A 75 -10.900 -13.557 -1.173 1.00 41.44 C ATOM 1061 CD1 TYR A 75 -11.261 -12.359 -0.529 1.00 52.03 C ATOM 1062 CD2 TYR A 75 -11.894 -14.515 -1.455 1.00 5.05 C ATOM 1063 CE1 TYR A 75 -12.602 -12.115 -0.189 1.00 61.52 C ATOM 1064 CE2 TYR A 75 -13.239 -14.273 -1.130 1.00 32.21 C ATOM 1065 CZ TYR A 75 -13.600 -13.062 -0.505 1.00 33.33 C ATOM 1066 OH TYR A 75 -14.905 -12.798 -0.230 1.00 23.14 O ATOM 0 H TYR A 75 -9.460 -13.880 1.089 1.00 41.44 H new ATOM 0 HA TYR A 75 -7.483 -14.228 -1.070 1.00 32.32 H new ATOM 0 HB2 TYR A 75 -9.274 -13.061 -2.443 1.00 54.25 H new ATOM 0 HB3 TYR A 75 -9.436 -14.774 -2.111 1.00 54.25 H new ATOM 0 HD1 TYR A 75 -10.504 -11.625 -0.295 1.00 52.03 H new ATOM 0 HD2 TYR A 75 -11.618 -15.447 -1.927 1.00 5.05 H new ATOM 0 HE1 TYR A 75 -12.871 -11.199 0.316 1.00 61.52 H new ATOM 0 HE2 TYR A 75 -13.993 -15.012 -1.358 1.00 32.21 H new ATOM 0 HH TYR A 75 -15.459 -13.555 -0.513 1.00 23.14 H new ATOM 1075 N ALA A 76 -7.884 -11.757 0.842 1.00 22.32 N ATOM 1076 CA ALA A 76 -7.492 -10.395 1.161 1.00 23.30 C ATOM 1077 C ALA A 76 -7.114 -10.289 2.635 1.00 5.25 C ATOM 1078 O ALA A 76 -7.388 -11.203 3.417 1.00 11.10 O ATOM 1079 CB ALA A 76 -8.682 -9.488 0.851 1.00 22.31 C ATOM 0 H ALA A 76 -8.195 -12.293 1.652 1.00 22.32 H new ATOM 0 HA ALA A 76 -6.624 -10.098 0.572 1.00 23.30 H new ATOM 0 HB1 ALA A 76 -8.421 -8.455 1.080 1.00 22.31 H new ATOM 0 HB2 ALA A 76 -8.938 -9.572 -0.205 1.00 22.31 H new ATOM 0 HB3 ALA A 76 -9.537 -9.789 1.457 1.00 22.31 H new ATOM 1085 N VAL A 77 -6.544 -9.147 3.015 1.00 12.44 N ATOM 1086 CA VAL A 77 -6.171 -8.796 4.380 1.00 23.21 C ATOM 1087 C VAL A 77 -6.540 -7.342 4.653 1.00 21.33 C ATOM 1088 O VAL A 77 -6.439 -6.496 3.766 1.00 21.34 O ATOM 1089 CB VAL A 77 -4.668 -9.039 4.632 1.00 62.31 C ATOM 1090 CG1 VAL A 77 -4.390 -10.515 4.939 1.00 63.13 C ATOM 1091 CG2 VAL A 77 -3.774 -8.555 3.476 1.00 32.41 C ATOM 0 H VAL A 77 -6.320 -8.409 2.348 1.00 12.44 H new ATOM 0 HA VAL A 77 -6.722 -9.438 5.067 1.00 23.21 H new ATOM 0 HB VAL A 77 -4.409 -8.439 5.504 1.00 62.31 H new ATOM 0 HG11 VAL A 77 -3.323 -10.656 5.112 1.00 63.13 H new ATOM 0 HG12 VAL A 77 -4.944 -10.812 5.829 1.00 63.13 H new ATOM 0 HG13 VAL A 77 -4.705 -11.128 4.094 1.00 63.13 H new ATOM 0 HG21 VAL A 77 -2.730 -8.755 3.716 1.00 32.41 H new ATOM 0 HG22 VAL A 77 -4.044 -9.083 2.562 1.00 32.41 H new ATOM 0 HG23 VAL A 77 -3.914 -7.484 3.331 1.00 32.41 H new ATOM 1101 N LYS A 78 -6.981 -7.086 5.882 1.00 44.42 N ATOM 1102 CA LYS A 78 -7.341 -5.812 6.467 1.00 0.51 C ATOM 1103 C LYS A 78 -6.070 -5.214 7.047 1.00 52.04 C ATOM 1104 O LYS A 78 -5.551 -5.767 8.016 1.00 33.40 O ATOM 1105 CB LYS A 78 -8.406 -6.050 7.559 1.00 52.43 C ATOM 1106 CG LYS A 78 -9.367 -4.861 7.670 1.00 64.24 C ATOM 1107 CD LYS A 78 -10.622 -5.226 8.470 1.00 64.34 C ATOM 1108 CE LYS A 78 -11.677 -5.949 7.625 1.00 45.13 C ATOM 1109 NZ LYS A 78 -12.688 -5.022 7.068 1.00 0.15 N ATOM 0 H LYS A 78 -7.105 -7.845 6.553 1.00 44.42 H new ATOM 0 HA LYS A 78 -7.764 -5.126 5.734 1.00 0.51 H new ATOM 0 HB2 LYS A 78 -8.969 -6.955 7.330 1.00 52.43 H new ATOM 0 HB3 LYS A 78 -7.915 -6.214 8.518 1.00 52.43 H new ATOM 0 HG2 LYS A 78 -8.859 -4.025 8.150 1.00 64.24 H new ATOM 0 HG3 LYS A 78 -9.654 -4.529 6.672 1.00 64.24 H new ATOM 0 HD2 LYS A 78 -10.340 -5.860 9.310 1.00 64.34 H new ATOM 0 HD3 LYS A 78 -11.058 -4.318 8.888 1.00 64.34 H new ATOM 0 HE2 LYS A 78 -11.185 -6.478 6.809 1.00 45.13 H new ATOM 0 HE3 LYS A 78 -12.176 -6.701 8.237 1.00 45.13 H new ATOM 0 HZ1 LYS A 78 -13.328 -5.545 6.437 1.00 0.15 H new ATOM 0 HZ2 LYS A 78 -13.236 -4.599 7.844 1.00 0.15 H new ATOM 0 HZ3 LYS A 78 -12.211 -4.270 6.531 1.00 0.15 H new ATOM 1119 N LEU A 79 -5.537 -4.158 6.441 1.00 60.21 N ATOM 1120 CA LEU A 79 -4.261 -3.535 6.789 1.00 13.40 C ATOM 1121 C LEU A 79 -4.594 -2.143 7.281 1.00 35.41 C ATOM 1122 O LEU A 79 -4.922 -1.269 6.478 1.00 31.22 O ATOM 1123 CB LEU A 79 -3.330 -3.450 5.570 1.00 4.04 C ATOM 1124 CG LEU A 79 -2.392 -4.639 5.325 1.00 5.11 C ATOM 1125 CD1 LEU A 79 -3.112 -5.961 5.508 1.00 1.12 C ATOM 1126 CD2 LEU A 79 -1.804 -4.544 3.915 1.00 14.04 C ATOM 0 H LEU A 79 -6.001 -3.692 5.661 1.00 60.21 H new ATOM 0 HA LEU A 79 -3.740 -4.122 7.545 1.00 13.40 H new ATOM 0 HB2 LEU A 79 -3.947 -3.317 4.681 1.00 4.04 H new ATOM 0 HB3 LEU A 79 -2.720 -2.553 5.672 1.00 4.04 H new ATOM 0 HG LEU A 79 -1.587 -4.599 6.059 1.00 5.11 H new ATOM 0 HD11 LEU A 79 -2.418 -6.782 5.327 1.00 1.12 H new ATOM 0 HD12 LEU A 79 -3.496 -6.028 6.526 1.00 1.12 H new ATOM 0 HD13 LEU A 79 -3.941 -6.025 4.803 1.00 1.12 H new ATOM 0 HD21 LEU A 79 -1.138 -5.389 3.741 1.00 14.04 H new ATOM 0 HD22 LEU A 79 -2.611 -4.561 3.182 1.00 14.04 H new ATOM 0 HD23 LEU A 79 -1.244 -3.614 3.816 1.00 14.04 H new ATOM 1137 N VAL A 80 -4.592 -1.981 8.595 1.00 20.21 N ATOM 1138 CA VAL A 80 -5.054 -0.758 9.239 1.00 14.11 C ATOM 1139 C VAL A 80 -3.911 0.221 9.520 1.00 14.31 C ATOM 1140 O VAL A 80 -2.746 -0.161 9.426 1.00 4.12 O ATOM 1141 CB VAL A 80 -5.853 -1.128 10.487 1.00 41.24 C ATOM 1142 CG1 VAL A 80 -6.996 -2.103 10.200 1.00 24.10 C ATOM 1143 CG2 VAL A 80 -5.022 -1.736 11.599 1.00 11.32 C ATOM 0 H VAL A 80 -4.269 -2.695 9.248 1.00 20.21 H new ATOM 0 HA VAL A 80 -5.713 -0.219 8.558 1.00 14.11 H new ATOM 0 HB VAL A 80 -6.245 -0.165 10.815 1.00 41.24 H new ATOM 0 HG11 VAL A 80 -7.525 -2.326 11.126 1.00 24.10 H new ATOM 0 HG12 VAL A 80 -7.687 -1.654 9.487 1.00 24.10 H new ATOM 0 HG13 VAL A 80 -6.592 -3.025 9.782 1.00 24.10 H new ATOM 0 HG21 VAL A 80 -5.665 -1.970 12.448 1.00 11.32 H new ATOM 0 HG22 VAL A 80 -4.548 -2.650 11.241 1.00 11.32 H new ATOM 0 HG23 VAL A 80 -4.255 -1.027 11.909 1.00 11.32 H new ATOM 1153 N PHE A 81 -4.223 1.462 9.909 1.00 35.34 N ATOM 1154 CA PHE A 81 -3.228 2.504 10.102 1.00 14.20 C ATOM 1155 C PHE A 81 -3.508 3.308 11.376 1.00 54.33 C ATOM 1156 O PHE A 81 -4.585 3.250 11.972 1.00 20.40 O ATOM 1157 CB PHE A 81 -3.212 3.427 8.871 1.00 41.34 C ATOM 1158 CG PHE A 81 -3.138 2.720 7.529 1.00 23.11 C ATOM 1159 CD1 PHE A 81 -1.890 2.333 7.014 1.00 32.44 C ATOM 1160 CD2 PHE A 81 -4.309 2.440 6.795 1.00 62.35 C ATOM 1161 CE1 PHE A 81 -1.796 1.756 5.739 1.00 4.33 C ATOM 1162 CE2 PHE A 81 -4.221 1.803 5.541 1.00 24.42 C ATOM 1163 CZ PHE A 81 -2.962 1.475 5.007 1.00 5.43 C ATOM 0 H PHE A 81 -5.178 1.766 10.098 1.00 35.34 H new ATOM 0 HA PHE A 81 -2.249 2.038 10.218 1.00 14.20 H new ATOM 0 HB2 PHE A 81 -4.110 4.044 8.889 1.00 41.34 H new ATOM 0 HB3 PHE A 81 -2.360 4.102 8.955 1.00 41.34 H new ATOM 0 HD1 PHE A 81 -0.997 2.481 7.603 1.00 32.44 H new ATOM 0 HD2 PHE A 81 -5.274 2.714 7.194 1.00 62.35 H new ATOM 0 HE1 PHE A 81 -0.827 1.528 5.320 1.00 4.33 H new ATOM 0 HE2 PHE A 81 -5.120 1.567 4.991 1.00 24.42 H new ATOM 0 HZ PHE A 81 -2.891 1.008 4.036 1.00 5.43 H new ATOM 1172 N ASP A 82 -2.487 4.043 11.819 1.00 64.23 N ATOM 1173 CA ASP A 82 -2.498 4.979 12.934 1.00 71.42 C ATOM 1174 C ASP A 82 -2.681 6.412 12.430 1.00 73.22 C ATOM 1175 O ASP A 82 -3.052 7.267 13.224 1.00 31.30 O ATOM 1176 CB ASP A 82 -1.176 4.884 13.723 1.00 72.53 C ATOM 1177 CG ASP A 82 0.042 5.366 12.929 1.00 53.45 C ATOM 1178 OD1 ASP A 82 0.125 5.041 11.720 1.00 75.22 O ATOM 1179 OD2 ASP A 82 0.907 6.049 13.518 1.00 14.43 O ATOM 0 H ASP A 82 -1.570 3.993 11.375 1.00 64.23 H new ATOM 0 HA ASP A 82 -3.331 4.719 13.587 1.00 71.42 H new ATOM 0 HB2 ASP A 82 -1.263 5.474 14.635 1.00 72.53 H new ATOM 0 HB3 ASP A 82 -1.016 3.849 14.027 1.00 72.53 H new ATOM 1183 N ASP A 83 -2.439 6.706 11.144 1.00 61.24 N ATOM 1184 CA ASP A 83 -2.524 8.079 10.620 1.00 12.41 C ATOM 1185 C ASP A 83 -3.936 8.648 10.767 1.00 12.24 C ATOM 1186 O ASP A 83 -4.097 9.869 10.833 1.00 13.40 O ATOM 1187 CB ASP A 83 -2.043 8.151 9.156 1.00 52.55 C ATOM 1188 CG ASP A 83 -3.104 8.543 8.102 1.00 1.15 C ATOM 1189 OD1 ASP A 83 -3.308 9.760 7.862 1.00 43.24 O ATOM 1190 OD2 ASP A 83 -3.644 7.626 7.436 1.00 0.54 O ATOM 0 H ASP A 83 -2.182 6.009 10.445 1.00 61.24 H new ATOM 0 HA ASP A 83 -1.857 8.699 11.219 1.00 12.41 H new ATOM 0 HB2 ASP A 83 -1.225 8.869 9.100 1.00 52.55 H new ATOM 0 HB3 ASP A 83 -1.633 7.179 8.883 1.00 52.55 H new ATOM 1194 N GLY A 84 -4.937 7.767 10.846 1.00 2.41 N ATOM 1195 CA GLY A 84 -6.344 8.080 11.002 1.00 64.23 C ATOM 1196 C GLY A 84 -7.131 7.393 9.902 1.00 40.32 C ATOM 1197 O GLY A 84 -7.794 8.091 9.126 1.00 62.13 O ATOM 0 H GLY A 84 -4.769 6.762 10.799 1.00 2.41 H new ATOM 0 HA2 GLY A 84 -6.697 7.749 11.979 1.00 64.23 H new ATOM 0 HA3 GLY A 84 -6.497 9.158 10.956 1.00 64.23 H new ATOM 1201 N HIS A 85 -7.021 6.066 9.792 1.00 12.34 N ATOM 1202 CA HIS A 85 -7.759 5.225 8.859 1.00 43.22 C ATOM 1203 C HIS A 85 -7.529 3.764 9.248 1.00 3.44 C ATOM 1204 O HIS A 85 -6.421 3.417 9.652 1.00 4.30 O ATOM 1205 CB HIS A 85 -7.269 5.469 7.417 1.00 33.22 C ATOM 1206 CG HIS A 85 -8.418 5.542 6.457 1.00 14.22 C ATOM 1207 ND1 HIS A 85 -8.957 4.496 5.754 1.00 60.34 N ATOM 1208 CD2 HIS A 85 -9.198 6.639 6.231 1.00 15.05 C ATOM 1209 CE1 HIS A 85 -10.056 4.941 5.128 1.00 1.10 C ATOM 1210 NE2 HIS A 85 -10.218 6.256 5.351 1.00 23.50 N ATOM 0 H HIS A 85 -6.384 5.529 10.380 1.00 12.34 H new ATOM 0 HA HIS A 85 -8.821 5.465 8.903 1.00 43.22 H new ATOM 0 HB2 HIS A 85 -6.699 6.397 7.376 1.00 33.22 H new ATOM 0 HB3 HIS A 85 -6.594 4.667 7.119 1.00 33.22 H new ATOM 0 HD2 HIS A 85 -9.055 7.623 6.654 1.00 15.05 H new ATOM 0 HE1 HIS A 85 -10.716 4.330 4.530 1.00 1.10 H new ATOM 0 HE2 HIS A 85 -10.942 6.857 4.957 1.00 23.50 H new ATOM 1217 N ASP A 86 -8.517 2.888 9.072 1.00 40.13 N ATOM 1218 CA ASP A 86 -8.439 1.462 9.333 1.00 21.13 C ATOM 1219 C ASP A 86 -9.504 0.804 8.440 1.00 32.11 C ATOM 1220 O ASP A 86 -9.989 1.398 7.467 1.00 74.35 O ATOM 1221 CB ASP A 86 -8.612 1.129 10.831 1.00 64.32 C ATOM 1222 CG ASP A 86 -9.973 1.436 11.456 1.00 2.11 C ATOM 1223 OD1 ASP A 86 -10.531 2.541 11.246 1.00 62.24 O ATOM 1224 OD2 ASP A 86 -10.492 0.510 12.118 1.00 42.44 O ATOM 0 H ASP A 86 -9.434 3.172 8.727 1.00 40.13 H new ATOM 0 HA ASP A 86 -7.450 1.072 9.092 1.00 21.13 H new ATOM 0 HB2 ASP A 86 -8.408 0.067 10.968 1.00 64.32 H new ATOM 0 HB3 ASP A 86 -7.852 1.675 11.390 1.00 64.32 H new ATOM 1228 N THR A 87 -9.848 -0.441 8.743 1.00 12.10 N ATOM 1229 CA THR A 87 -10.845 -1.304 8.127 1.00 64.25 C ATOM 1230 C THR A 87 -10.564 -1.770 6.676 1.00 45.25 C ATOM 1231 O THR A 87 -11.334 -2.568 6.137 1.00 53.45 O ATOM 1232 CB THR A 87 -12.276 -0.766 8.332 1.00 11.23 C ATOM 1233 OG1 THR A 87 -12.554 0.312 7.473 1.00 42.43 O ATOM 1234 CG2 THR A 87 -12.598 -0.297 9.749 1.00 61.43 C ATOM 0 H THR A 87 -9.382 -0.923 9.512 1.00 12.10 H new ATOM 0 HA THR A 87 -10.756 -2.238 8.681 1.00 64.25 H new ATOM 0 HB THR A 87 -12.897 -1.634 8.111 1.00 11.23 H new ATOM 0 HG1 THR A 87 -11.737 0.833 7.327 1.00 42.43 H new ATOM 0 HG21 THR A 87 -13.626 0.062 9.788 1.00 61.43 H new ATOM 0 HG22 THR A 87 -12.477 -1.128 10.444 1.00 61.43 H new ATOM 0 HG23 THR A 87 -11.921 0.510 10.028 1.00 61.43 H new ATOM 1242 N GLY A 88 -9.475 -1.320 6.042 1.00 0.04 N ATOM 1243 CA GLY A 88 -9.192 -1.340 4.618 1.00 4.41 C ATOM 1244 C GLY A 88 -8.595 -2.656 4.180 1.00 64.21 C ATOM 1245 O GLY A 88 -7.543 -3.067 4.671 1.00 14.45 O ATOM 0 H GLY A 88 -8.708 -0.898 6.565 1.00 0.04 H new ATOM 0 HA2 GLY A 88 -10.112 -1.156 4.063 1.00 4.41 H new ATOM 0 HA3 GLY A 88 -8.505 -0.530 4.373 1.00 4.41 H new ATOM 1249 N LEU A 89 -9.258 -3.301 3.228 1.00 40.03 N ATOM 1250 CA LEU A 89 -8.806 -4.545 2.618 1.00 5.44 C ATOM 1251 C LEU A 89 -7.863 -4.248 1.474 1.00 14.02 C ATOM 1252 O LEU A 89 -7.994 -3.230 0.792 1.00 4.42 O ATOM 1253 CB LEU A 89 -9.958 -5.397 2.059 1.00 2.41 C ATOM 1254 CG LEU A 89 -10.808 -6.144 3.080 1.00 3.31 C ATOM 1255 CD1 LEU A 89 -9.956 -7.062 3.941 1.00 51.41 C ATOM 1256 CD2 LEU A 89 -11.553 -5.177 3.984 1.00 41.52 C ATOM 0 H LEU A 89 -10.144 -2.966 2.850 1.00 40.03 H new ATOM 0 HA LEU A 89 -8.313 -5.106 3.412 1.00 5.44 H new ATOM 0 HB2 LEU A 89 -10.613 -4.747 1.480 1.00 2.41 H new ATOM 0 HB3 LEU A 89 -9.538 -6.126 1.366 1.00 2.41 H new ATOM 0 HG LEU A 89 -11.526 -6.742 2.518 1.00 3.31 H new ATOM 0 HD11 LEU A 89 -10.591 -7.580 4.659 1.00 51.41 H new ATOM 0 HD12 LEU A 89 -9.454 -7.793 3.307 1.00 51.41 H new ATOM 0 HD13 LEU A 89 -9.211 -6.472 4.475 1.00 51.41 H new ATOM 0 HD21 LEU A 89 -12.151 -5.738 4.702 1.00 41.52 H new ATOM 0 HD22 LEU A 89 -10.837 -4.552 4.518 1.00 41.52 H new ATOM 0 HD23 LEU A 89 -12.207 -4.546 3.382 1.00 41.52 H new ATOM 1267 N TYR A 90 -6.967 -5.191 1.227 1.00 74.44 N ATOM 1268 CA TYR A 90 -6.028 -5.210 0.119 1.00 40.15 C ATOM 1269 C TYR A 90 -5.972 -6.645 -0.385 1.00 45.23 C ATOM 1270 O TYR A 90 -5.998 -7.585 0.417 1.00 13.43 O ATOM 1271 CB TYR A 90 -4.653 -4.706 0.581 1.00 2.24 C ATOM 1272 CG TYR A 90 -4.668 -3.246 0.992 1.00 51.54 C ATOM 1273 CD1 TYR A 90 -5.221 -2.836 2.223 1.00 20.31 C ATOM 1274 CD2 TYR A 90 -4.189 -2.281 0.094 1.00 42.32 C ATOM 1275 CE1 TYR A 90 -5.363 -1.470 2.524 1.00 34.43 C ATOM 1276 CE2 TYR A 90 -4.266 -0.918 0.410 1.00 20.44 C ATOM 1277 CZ TYR A 90 -4.874 -0.502 1.613 1.00 5.20 C ATOM 1278 OH TYR A 90 -4.940 0.817 1.916 1.00 14.40 O ATOM 0 H TYR A 90 -6.871 -6.009 1.829 1.00 74.44 H new ATOM 0 HA TYR A 90 -6.343 -4.548 -0.688 1.00 40.15 H new ATOM 0 HB2 TYR A 90 -4.313 -5.311 1.421 1.00 2.24 H new ATOM 0 HB3 TYR A 90 -3.931 -4.844 -0.224 1.00 2.24 H new ATOM 0 HD1 TYR A 90 -5.538 -3.578 2.941 1.00 20.31 H new ATOM 0 HD2 TYR A 90 -3.758 -2.590 -0.847 1.00 42.32 H new ATOM 0 HE1 TYR A 90 -5.841 -1.161 3.442 1.00 34.43 H new ATOM 0 HE2 TYR A 90 -3.859 -0.184 -0.269 1.00 20.44 H new ATOM 0 HH TYR A 90 -4.142 1.272 1.574 1.00 14.40 H new ATOM 1287 N SER A 91 -5.939 -6.816 -1.705 1.00 31.10 N ATOM 1288 CA SER A 91 -5.954 -8.114 -2.351 1.00 60.42 C ATOM 1289 C SER A 91 -4.566 -8.472 -2.857 1.00 14.03 C ATOM 1290 O SER A 91 -3.699 -7.614 -3.028 1.00 72.23 O ATOM 1291 CB SER A 91 -7.023 -8.122 -3.443 1.00 54.03 C ATOM 1292 OG SER A 91 -6.852 -7.059 -4.354 1.00 40.21 O ATOM 0 H SER A 91 -5.900 -6.037 -2.363 1.00 31.10 H new ATOM 0 HA SER A 91 -6.220 -8.892 -1.635 1.00 60.42 H new ATOM 0 HB2 SER A 91 -6.986 -9.070 -3.980 1.00 54.03 H new ATOM 0 HB3 SER A 91 -8.010 -8.053 -2.985 1.00 54.03 H new ATOM 0 HG SER A 91 -7.553 -7.098 -5.038 1.00 40.21 H new ATOM 1297 N TRP A 92 -4.366 -9.760 -3.109 1.00 53.23 N ATOM 1298 CA TRP A 92 -3.113 -10.317 -3.581 1.00 61.22 C ATOM 1299 C TRP A 92 -2.722 -9.653 -4.902 1.00 52.13 C ATOM 1300 O TRP A 92 -1.569 -9.265 -5.091 1.00 23.10 O ATOM 1301 CB TRP A 92 -3.287 -11.837 -3.715 1.00 42.42 C ATOM 1302 CG TRP A 92 -3.867 -12.575 -2.529 1.00 52.04 C ATOM 1303 CD1 TRP A 92 -4.614 -13.703 -2.613 1.00 53.51 C ATOM 1304 CD2 TRP A 92 -3.755 -12.295 -1.092 1.00 53.45 C ATOM 1305 NE1 TRP A 92 -5.007 -14.097 -1.354 1.00 51.14 N ATOM 1306 CE2 TRP A 92 -4.447 -13.315 -0.376 1.00 71.21 C ATOM 1307 CE3 TRP A 92 -3.122 -11.306 -0.309 1.00 44.15 C ATOM 1308 CZ2 TRP A 92 -4.467 -13.388 1.022 1.00 5.44 C ATOM 1309 CZ3 TRP A 92 -3.114 -11.373 1.095 1.00 5.51 C ATOM 1310 CH2 TRP A 92 -3.770 -12.421 1.762 1.00 1.41 C ATOM 0 H TRP A 92 -5.095 -10.463 -2.986 1.00 53.23 H new ATOM 0 HA TRP A 92 -2.302 -10.124 -2.878 1.00 61.22 H new ATOM 0 HB2 TRP A 92 -3.926 -12.029 -4.577 1.00 42.42 H new ATOM 0 HB3 TRP A 92 -2.312 -12.270 -3.938 1.00 42.42 H new ATOM 0 HD1 TRP A 92 -4.863 -14.216 -3.530 1.00 53.51 H new ATOM 0 HE1 TRP A 92 -5.639 -14.877 -1.170 1.00 51.14 H new ATOM 0 HE3 TRP A 92 -2.632 -10.478 -0.800 1.00 44.15 H new ATOM 0 HZ2 TRP A 92 -5.010 -14.176 1.523 1.00 5.44 H new ATOM 0 HZ3 TRP A 92 -2.600 -10.613 1.665 1.00 5.51 H new ATOM 0 HH2 TRP A 92 -3.738 -12.482 2.840 1.00 1.41 H new ATOM 1320 N LYS A 93 -3.696 -9.461 -5.798 1.00 61.44 N ATOM 1321 CA LYS A 93 -3.500 -8.796 -7.079 1.00 25.30 C ATOM 1322 C LYS A 93 -3.018 -7.365 -6.867 1.00 55.45 C ATOM 1323 O LYS A 93 -2.000 -6.989 -7.443 1.00 5.21 O ATOM 1324 CB LYS A 93 -4.808 -8.837 -7.873 1.00 71.34 C ATOM 1325 CG LYS A 93 -4.547 -8.787 -9.383 1.00 15.21 C ATOM 1326 CD LYS A 93 -5.855 -8.446 -10.089 1.00 14.21 C ATOM 1327 CE LYS A 93 -5.799 -8.788 -11.577 1.00 64.23 C ATOM 1328 NZ LYS A 93 -6.986 -8.281 -12.288 1.00 5.32 N ATOM 0 H LYS A 93 -4.656 -9.770 -5.646 1.00 61.44 H new ATOM 0 HA LYS A 93 -2.731 -9.316 -7.650 1.00 25.30 H new ATOM 0 HB2 LYS A 93 -5.357 -9.746 -7.627 1.00 71.34 H new ATOM 0 HB3 LYS A 93 -5.438 -7.996 -7.583 1.00 71.34 H new ATOM 0 HG2 LYS A 93 -3.787 -8.040 -9.612 1.00 15.21 H new ATOM 0 HG3 LYS A 93 -4.166 -9.746 -9.734 1.00 15.21 H new ATOM 0 HD2 LYS A 93 -6.674 -8.991 -9.621 1.00 14.21 H new ATOM 0 HD3 LYS A 93 -6.068 -7.384 -9.967 1.00 14.21 H new ATOM 0 HE2 LYS A 93 -4.898 -8.360 -12.017 1.00 64.23 H new ATOM 0 HE3 LYS A 93 -5.732 -9.869 -11.702 1.00 64.23 H new ATOM 0 HZ1 LYS A 93 -6.919 -8.529 -13.296 1.00 5.32 H new ATOM 0 HZ2 LYS A 93 -7.843 -8.709 -11.882 1.00 5.32 H new ATOM 0 HZ3 LYS A 93 -7.035 -7.247 -12.188 1.00 5.32 H new ATOM 1338 N VAL A 94 -3.728 -6.590 -6.037 1.00 32.25 N ATOM 1339 CA VAL A 94 -3.423 -5.177 -5.828 1.00 51.24 C ATOM 1340 C VAL A 94 -1.999 -5.033 -5.289 1.00 44.01 C ATOM 1341 O VAL A 94 -1.218 -4.231 -5.799 1.00 43.13 O ATOM 1342 CB VAL A 94 -4.502 -4.556 -4.912 1.00 73.14 C ATOM 1343 CG1 VAL A 94 -4.113 -3.199 -4.315 1.00 53.01 C ATOM 1344 CG2 VAL A 94 -5.808 -4.367 -5.700 1.00 15.20 C ATOM 0 H VAL A 94 -4.525 -6.927 -5.496 1.00 32.25 H new ATOM 0 HA VAL A 94 -3.451 -4.625 -6.767 1.00 51.24 H new ATOM 0 HB VAL A 94 -4.620 -5.257 -4.085 1.00 73.14 H new ATOM 0 HG11 VAL A 94 -4.924 -2.833 -3.685 1.00 53.01 H new ATOM 0 HG12 VAL A 94 -3.210 -3.311 -3.715 1.00 53.01 H new ATOM 0 HG13 VAL A 94 -3.928 -2.487 -5.119 1.00 53.01 H new ATOM 0 HG21 VAL A 94 -6.565 -3.929 -5.050 1.00 15.20 H new ATOM 0 HG22 VAL A 94 -5.629 -3.704 -6.547 1.00 15.20 H new ATOM 0 HG23 VAL A 94 -6.157 -5.334 -6.063 1.00 15.20 H new ATOM 1354 N LEU A 95 -1.646 -5.845 -4.288 1.00 44.14 N ATOM 1355 CA LEU A 95 -0.337 -5.793 -3.652 1.00 1.41 C ATOM 1356 C LEU A 95 0.791 -6.065 -4.652 1.00 21.24 C ATOM 1357 O LEU A 95 1.811 -5.389 -4.592 1.00 14.42 O ATOM 1358 CB LEU A 95 -0.292 -6.788 -2.481 1.00 62.15 C ATOM 1359 CG LEU A 95 -1.157 -6.385 -1.269 1.00 53.12 C ATOM 1360 CD1 LEU A 95 -1.205 -7.540 -0.263 1.00 64.24 C ATOM 1361 CD2 LEU A 95 -0.653 -5.125 -0.558 1.00 60.42 C ATOM 0 H LEU A 95 -2.265 -6.556 -3.899 1.00 44.14 H new ATOM 0 HA LEU A 95 -0.181 -4.785 -3.268 1.00 1.41 H new ATOM 0 HB2 LEU A 95 -0.620 -7.765 -2.837 1.00 62.15 H new ATOM 0 HB3 LEU A 95 0.742 -6.899 -2.154 1.00 62.15 H new ATOM 0 HG LEU A 95 -2.151 -6.162 -1.657 1.00 53.12 H new ATOM 0 HD11 LEU A 95 -1.817 -7.252 0.592 1.00 64.24 H new ATOM 0 HD12 LEU A 95 -1.638 -8.420 -0.739 1.00 64.24 H new ATOM 0 HD13 LEU A 95 -0.195 -7.771 0.075 1.00 64.24 H new ATOM 0 HD21 LEU A 95 -1.306 -4.897 0.285 1.00 60.42 H new ATOM 0 HD22 LEU A 95 0.361 -5.293 -0.196 1.00 60.42 H new ATOM 0 HD23 LEU A 95 -0.656 -4.288 -1.256 1.00 60.42 H new ATOM 1372 N TYR A 96 0.625 -7.036 -5.554 1.00 71.14 N ATOM 1373 CA TYR A 96 1.630 -7.382 -6.558 1.00 51.44 C ATOM 1374 C TYR A 96 1.818 -6.217 -7.528 1.00 2.33 C ATOM 1375 O TYR A 96 2.940 -5.753 -7.730 1.00 4.41 O ATOM 1376 CB TYR A 96 1.205 -8.686 -7.256 1.00 5.30 C ATOM 1377 CG TYR A 96 2.266 -9.511 -7.979 1.00 3.23 C ATOM 1378 CD1 TYR A 96 3.287 -8.914 -8.744 1.00 44.44 C ATOM 1379 CD2 TYR A 96 2.202 -10.920 -7.910 1.00 33.51 C ATOM 1380 CE1 TYR A 96 4.230 -9.707 -9.417 1.00 14.03 C ATOM 1381 CE2 TYR A 96 3.157 -11.726 -8.554 1.00 21.40 C ATOM 1382 CZ TYR A 96 4.165 -11.115 -9.329 1.00 52.13 C ATOM 1383 OH TYR A 96 5.045 -11.868 -10.038 1.00 74.51 O ATOM 0 H TYR A 96 -0.218 -7.608 -5.607 1.00 71.14 H new ATOM 0 HA TYR A 96 2.601 -7.557 -6.094 1.00 51.44 H new ATOM 0 HB2 TYR A 96 0.743 -9.327 -6.505 1.00 5.30 H new ATOM 0 HB3 TYR A 96 0.431 -8.435 -7.981 1.00 5.30 H new ATOM 0 HD1 TYR A 96 3.345 -7.838 -8.813 1.00 44.44 H new ATOM 0 HD2 TYR A 96 1.404 -11.387 -7.352 1.00 33.51 H new ATOM 0 HE1 TYR A 96 5.007 -9.239 -10.003 1.00 14.03 H new ATOM 0 HE2 TYR A 96 3.119 -12.801 -8.456 1.00 21.40 H new ATOM 0 HH TYR A 96 4.872 -12.818 -9.870 1.00 74.51 H new ATOM 1392 N ASP A 97 0.728 -5.740 -8.127 1.00 13.31 N ATOM 1393 CA ASP A 97 0.783 -4.713 -9.165 1.00 3.15 C ATOM 1394 C ASP A 97 1.445 -3.450 -8.630 1.00 31.40 C ATOM 1395 O ASP A 97 2.359 -2.901 -9.248 1.00 43.23 O ATOM 1396 CB ASP A 97 -0.638 -4.421 -9.680 1.00 54.54 C ATOM 1397 CG ASP A 97 -0.659 -3.825 -11.089 1.00 4.24 C ATOM 1398 OD1 ASP A 97 0.405 -3.620 -11.710 1.00 35.51 O ATOM 1399 OD2 ASP A 97 -1.767 -3.646 -11.648 1.00 60.22 O ATOM 0 H ASP A 97 -0.217 -6.054 -7.906 1.00 13.31 H new ATOM 0 HA ASP A 97 1.386 -5.075 -9.998 1.00 3.15 H new ATOM 0 HB2 ASP A 97 -1.216 -5.345 -9.675 1.00 54.54 H new ATOM 0 HB3 ASP A 97 -1.132 -3.732 -8.994 1.00 54.54 H new ATOM 1403 N LEU A 98 1.030 -3.025 -7.439 1.00 3.30 N ATOM 1404 CA LEU A 98 1.603 -1.874 -6.772 1.00 4.01 C ATOM 1405 C LEU A 98 3.056 -2.104 -6.405 1.00 15.03 C ATOM 1406 O LEU A 98 3.839 -1.196 -6.629 1.00 22.54 O ATOM 1407 CB LEU A 98 0.754 -1.494 -5.550 1.00 4.02 C ATOM 1408 CG LEU A 98 -0.566 -0.844 -6.001 1.00 32.31 C ATOM 1409 CD1 LEU A 98 -1.516 -0.641 -4.824 1.00 44.22 C ATOM 1410 CD2 LEU A 98 -0.274 0.506 -6.657 1.00 42.14 C ATOM 0 H LEU A 98 0.282 -3.477 -6.912 1.00 3.30 H new ATOM 0 HA LEU A 98 1.591 -1.034 -7.466 1.00 4.01 H new ATOM 0 HB2 LEU A 98 0.545 -2.382 -4.953 1.00 4.02 H new ATOM 0 HB3 LEU A 98 1.308 -0.805 -4.913 1.00 4.02 H new ATOM 0 HG LEU A 98 -1.046 -1.512 -6.716 1.00 32.31 H new ATOM 0 HD11 LEU A 98 -2.439 -0.180 -5.176 1.00 44.22 H new ATOM 0 HD12 LEU A 98 -1.743 -1.605 -4.369 1.00 44.22 H new ATOM 0 HD13 LEU A 98 -1.046 0.007 -4.085 1.00 44.22 H new ATOM 0 HD21 LEU A 98 -1.210 0.965 -6.976 1.00 42.14 H new ATOM 0 HD22 LEU A 98 0.225 1.158 -5.940 1.00 42.14 H new ATOM 0 HD23 LEU A 98 0.371 0.358 -7.523 1.00 42.14 H new ATOM 1421 N ALA A 99 3.442 -3.272 -5.892 1.00 34.15 N ATOM 1422 CA ALA A 99 4.840 -3.554 -5.557 1.00 12.14 C ATOM 1423 C ALA A 99 5.752 -3.388 -6.773 1.00 14.31 C ATOM 1424 O ALA A 99 6.775 -2.704 -6.675 1.00 21.30 O ATOM 1425 CB ALA A 99 4.986 -4.949 -4.959 1.00 5.10 C ATOM 0 H ALA A 99 2.803 -4.043 -5.698 1.00 34.15 H new ATOM 0 HA ALA A 99 5.151 -2.826 -4.808 1.00 12.14 H new ATOM 0 HB1 ALA A 99 6.033 -5.134 -4.719 1.00 5.10 H new ATOM 0 HB2 ALA A 99 4.387 -5.020 -4.051 1.00 5.10 H new ATOM 0 HB3 ALA A 99 4.642 -5.691 -5.679 1.00 5.10 H new ATOM 1431 N SER A 100 5.363 -3.967 -7.913 1.00 23.55 N ATOM 1432 CA SER A 100 6.090 -3.848 -9.170 1.00 54.53 C ATOM 1433 C SER A 100 6.217 -2.400 -9.651 1.00 33.30 C ATOM 1434 O SER A 100 7.140 -2.103 -10.409 1.00 3.32 O ATOM 1435 CB SER A 100 5.371 -4.657 -10.254 1.00 12.04 C ATOM 1436 OG SER A 100 5.609 -6.049 -10.133 1.00 1.53 O ATOM 0 H SER A 100 4.521 -4.539 -7.984 1.00 23.55 H new ATOM 0 HA SER A 100 7.095 -4.229 -8.989 1.00 54.53 H new ATOM 0 HB2 SER A 100 4.299 -4.467 -10.195 1.00 12.04 H new ATOM 0 HB3 SER A 100 5.701 -4.318 -11.236 1.00 12.04 H new ATOM 0 HG SER A 100 5.130 -6.526 -10.843 1.00 1.53 H new ATOM 1441 N ASN A 101 5.308 -1.509 -9.250 1.00 5.34 N ATOM 1442 CA ASN A 101 5.186 -0.167 -9.815 1.00 1.43 C ATOM 1443 C ASN A 101 5.294 0.936 -8.753 1.00 40.22 C ATOM 1444 O ASN A 101 4.910 2.070 -9.035 1.00 64.43 O ATOM 1445 CB ASN A 101 3.860 -0.080 -10.591 1.00 52.31 C ATOM 1446 CG ASN A 101 3.844 -0.964 -11.834 1.00 13.34 C ATOM 1447 OD1 ASN A 101 4.394 -0.629 -12.877 1.00 35.51 O ATOM 1448 ND2 ASN A 101 3.213 -2.121 -11.788 1.00 2.32 N ATOM 0 H ASN A 101 4.628 -1.703 -8.515 1.00 5.34 H new ATOM 0 HA ASN A 101 6.022 0.002 -10.493 1.00 1.43 H new ATOM 0 HB2 ASN A 101 3.040 -0.370 -9.934 1.00 52.31 H new ATOM 0 HB3 ASN A 101 3.683 0.955 -10.884 1.00 52.31 H new ATOM 0 HD21 ASN A 101 3.188 -2.721 -12.612 1.00 2.32 H new ATOM 0 HD22 ASN A 101 2.750 -2.416 -10.928 1.00 2.32 H new ATOM 1454 N GLN A 102 5.762 0.645 -7.534 1.00 21.43 N ATOM 1455 CA GLN A 102 5.537 1.506 -6.380 1.00 63.33 C ATOM 1456 C GLN A 102 6.325 2.787 -6.547 1.00 32.44 C ATOM 1457 O GLN A 102 5.820 3.854 -6.224 1.00 74.51 O ATOM 1458 CB GLN A 102 5.886 0.806 -5.053 1.00 24.54 C ATOM 1459 CG GLN A 102 7.370 0.479 -4.815 1.00 13.03 C ATOM 1460 CD GLN A 102 7.534 -0.340 -3.547 1.00 32.53 C ATOM 1461 OE1 GLN A 102 7.542 0.189 -2.436 1.00 65.31 O ATOM 1462 NE2 GLN A 102 7.598 -1.654 -3.667 1.00 41.01 N ATOM 0 H GLN A 102 6.305 -0.193 -7.326 1.00 21.43 H new ATOM 0 HA GLN A 102 4.474 1.740 -6.332 1.00 63.33 H new ATOM 0 HB2 GLN A 102 5.541 1.437 -4.234 1.00 24.54 H new ATOM 0 HB3 GLN A 102 5.320 -0.124 -4.999 1.00 24.54 H new ATOM 0 HG2 GLN A 102 7.769 -0.073 -5.666 1.00 13.03 H new ATOM 0 HG3 GLN A 102 7.944 1.402 -4.736 1.00 13.03 H new ATOM 0 HE21 GLN A 102 7.591 -2.083 -4.593 1.00 41.01 H new ATOM 0 HE22 GLN A 102 7.655 -2.240 -2.834 1.00 41.01 H new ATOM 1469 N VAL A 103 7.552 2.663 -7.047 1.00 3.22 N ATOM 1470 CA VAL A 103 8.446 3.774 -7.275 1.00 12.42 C ATOM 1471 C VAL A 103 7.843 4.667 -8.360 1.00 52.11 C ATOM 1472 O VAL A 103 7.751 5.883 -8.192 1.00 65.35 O ATOM 1473 CB VAL A 103 9.816 3.193 -7.665 1.00 14.45 C ATOM 1474 CG1 VAL A 103 10.759 4.314 -8.067 1.00 13.12 C ATOM 1475 CG2 VAL A 103 10.446 2.397 -6.513 1.00 1.05 C ATOM 0 H VAL A 103 7.953 1.762 -7.308 1.00 3.22 H new ATOM 0 HA VAL A 103 8.581 4.394 -6.389 1.00 12.42 H new ATOM 0 HB VAL A 103 9.657 2.515 -8.504 1.00 14.45 H new ATOM 0 HG11 VAL A 103 11.727 3.894 -8.342 1.00 13.12 H new ATOM 0 HG12 VAL A 103 10.342 4.852 -8.918 1.00 13.12 H new ATOM 0 HG13 VAL A 103 10.886 5.001 -7.230 1.00 13.12 H new ATOM 0 HG21 VAL A 103 11.412 2.003 -6.828 1.00 1.05 H new ATOM 0 HG22 VAL A 103 10.584 3.051 -5.652 1.00 1.05 H new ATOM 0 HG23 VAL A 103 9.789 1.571 -6.240 1.00 1.05 H new ATOM 1485 N ASP A 104 7.451 4.064 -9.482 1.00 34.20 N ATOM 1486 CA ASP A 104 7.073 4.821 -10.667 1.00 41.25 C ATOM 1487 C ASP A 104 5.726 5.513 -10.485 1.00 33.31 C ATOM 1488 O ASP A 104 5.475 6.548 -11.098 1.00 42.44 O ATOM 1489 CB ASP A 104 7.058 3.904 -11.897 1.00 2.31 C ATOM 1490 CG ASP A 104 7.251 4.698 -13.184 1.00 14.41 C ATOM 1491 OD1 ASP A 104 8.190 5.533 -13.243 1.00 55.42 O ATOM 1492 OD2 ASP A 104 6.552 4.441 -14.181 1.00 41.31 O ATOM 0 H ASP A 104 7.388 3.052 -9.592 1.00 34.20 H new ATOM 0 HA ASP A 104 7.818 5.602 -10.822 1.00 41.25 H new ATOM 0 HB2 ASP A 104 7.847 3.158 -11.806 1.00 2.31 H new ATOM 0 HB3 ASP A 104 6.112 3.364 -11.939 1.00 2.31 H new ATOM 1496 N LEU A 105 4.864 4.966 -9.625 1.00 20.53 N ATOM 1497 CA LEU A 105 3.584 5.547 -9.237 1.00 14.23 C ATOM 1498 C LEU A 105 3.743 6.558 -8.103 1.00 31.22 C ATOM 1499 O LEU A 105 3.005 7.542 -8.058 1.00 52.45 O ATOM 1500 CB LEU A 105 2.635 4.426 -8.790 1.00 20.33 C ATOM 1501 CG LEU A 105 2.123 3.556 -9.953 1.00 41.11 C ATOM 1502 CD1 LEU A 105 1.428 2.293 -9.417 1.00 24.23 C ATOM 1503 CD2 LEU A 105 1.153 4.341 -10.851 1.00 42.13 C ATOM 0 H LEU A 105 5.048 4.074 -9.165 1.00 20.53 H new ATOM 0 HA LEU A 105 3.175 6.072 -10.100 1.00 14.23 H new ATOM 0 HB2 LEU A 105 3.150 3.790 -8.070 1.00 20.33 H new ATOM 0 HB3 LEU A 105 1.782 4.867 -8.273 1.00 20.33 H new ATOM 0 HG LEU A 105 2.986 3.263 -10.551 1.00 41.11 H new ATOM 0 HD11 LEU A 105 1.073 1.691 -10.253 1.00 24.23 H new ATOM 0 HD12 LEU A 105 2.135 1.712 -8.826 1.00 24.23 H new ATOM 0 HD13 LEU A 105 0.583 2.580 -8.792 1.00 24.23 H new ATOM 0 HD21 LEU A 105 0.809 3.700 -11.663 1.00 42.13 H new ATOM 0 HD22 LEU A 105 0.297 4.671 -10.262 1.00 42.13 H new ATOM 0 HD23 LEU A 105 1.664 5.210 -11.266 1.00 42.13 H new ATOM 1514 N TRP A 106 4.699 6.335 -7.202 1.00 22.40 N ATOM 1515 CA TRP A 106 5.058 7.273 -6.156 1.00 11.02 C ATOM 1516 C TRP A 106 5.519 8.587 -6.785 1.00 34.21 C ATOM 1517 O TRP A 106 4.993 9.633 -6.418 1.00 73.24 O ATOM 1518 CB TRP A 106 6.137 6.644 -5.266 1.00 13.52 C ATOM 1519 CG TRP A 106 6.772 7.524 -4.246 1.00 61.43 C ATOM 1520 CD1 TRP A 106 8.085 7.829 -4.168 1.00 54.33 C ATOM 1521 CD2 TRP A 106 6.136 8.187 -3.125 1.00 42.41 C ATOM 1522 NE1 TRP A 106 8.311 8.588 -3.039 1.00 53.21 N ATOM 1523 CE2 TRP A 106 7.130 8.881 -2.380 1.00 13.40 C ATOM 1524 CE3 TRP A 106 4.813 8.236 -2.657 1.00 53.51 C ATOM 1525 CZ2 TRP A 106 6.806 9.637 -1.242 1.00 75.34 C ATOM 1526 CZ3 TRP A 106 4.476 8.970 -1.510 1.00 71.34 C ATOM 1527 CH2 TRP A 106 5.467 9.683 -0.808 1.00 4.33 C ATOM 0 H TRP A 106 5.252 5.478 -7.184 1.00 22.40 H new ATOM 0 HA TRP A 106 4.196 7.497 -5.527 1.00 11.02 H new ATOM 0 HB2 TRP A 106 5.695 5.792 -4.750 1.00 13.52 H new ATOM 0 HB3 TRP A 106 6.923 6.253 -5.912 1.00 13.52 H new ATOM 0 HD1 TRP A 106 8.840 7.526 -4.878 1.00 54.33 H new ATOM 0 HE1 TRP A 106 9.233 8.895 -2.729 1.00 53.21 H new ATOM 0 HE3 TRP A 106 4.042 7.699 -3.189 1.00 53.51 H new ATOM 0 HZ2 TRP A 106 7.574 10.176 -0.707 1.00 75.34 H new ATOM 0 HZ3 TRP A 106 3.453 8.988 -1.164 1.00 71.34 H new ATOM 0 HH2 TRP A 106 5.200 10.264 0.062 1.00 4.33 H new ATOM 1537 N GLU A 107 6.436 8.541 -7.761 1.00 20.35 N ATOM 1538 CA GLU A 107 6.906 9.710 -8.512 1.00 41.55 C ATOM 1539 C GLU A 107 5.729 10.531 -9.051 1.00 1.24 C ATOM 1540 O GLU A 107 5.742 11.766 -9.003 1.00 4.04 O ATOM 1541 CB GLU A 107 7.820 9.258 -9.675 1.00 12.34 C ATOM 1542 CG GLU A 107 9.253 9.790 -9.565 1.00 43.22 C ATOM 1543 CD GLU A 107 9.374 11.310 -9.734 1.00 52.42 C ATOM 1544 OE1 GLU A 107 9.593 11.794 -10.870 1.00 64.13 O ATOM 1545 OE2 GLU A 107 9.370 12.024 -8.707 1.00 73.45 O ATOM 0 H GLU A 107 6.880 7.671 -8.056 1.00 20.35 H new ATOM 0 HA GLU A 107 7.476 10.345 -7.834 1.00 41.55 H new ATOM 0 HB2 GLU A 107 7.846 8.169 -9.705 1.00 12.34 H new ATOM 0 HB3 GLU A 107 7.388 9.592 -10.618 1.00 12.34 H new ATOM 0 HG2 GLU A 107 9.659 9.510 -8.593 1.00 43.22 H new ATOM 0 HG3 GLU A 107 9.869 9.302 -10.320 1.00 43.22 H new ATOM 1550 N ASN A 108 4.691 9.834 -9.522 1.00 72.45 N ATOM 1551 CA ASN A 108 3.503 10.465 -10.068 1.00 5.04 C ATOM 1552 C ASN A 108 2.776 11.255 -8.994 1.00 62.13 C ATOM 1553 O ASN A 108 2.398 12.400 -9.227 1.00 72.11 O ATOM 1554 CB ASN A 108 2.578 9.430 -10.711 1.00 53.32 C ATOM 1555 CG ASN A 108 1.734 10.100 -11.781 1.00 24.44 C ATOM 1556 OD1 ASN A 108 0.549 10.382 -11.604 1.00 74.53 O ATOM 1557 ND2 ASN A 108 2.339 10.341 -12.928 1.00 1.41 N ATOM 0 H ASN A 108 4.658 8.815 -9.532 1.00 72.45 H new ATOM 0 HA ASN A 108 3.815 11.160 -10.848 1.00 5.04 H new ATOM 0 HB2 ASN A 108 3.166 8.623 -11.149 1.00 53.32 H new ATOM 0 HB3 ASN A 108 1.935 8.981 -9.954 1.00 53.32 H new ATOM 0 HD21 ASN A 108 1.824 10.771 -13.696 1.00 1.41 H new ATOM 0 HD22 ASN A 108 3.322 10.097 -13.047 1.00 1.41 H new ATOM 1563 N TYR A 109 2.619 10.684 -7.800 1.00 55.25 N ATOM 1564 CA TYR A 109 2.046 11.407 -6.679 1.00 42.24 C ATOM 1565 C TYR A 109 2.869 12.634 -6.329 1.00 22.34 C ATOM 1566 O TYR A 109 2.273 13.670 -6.049 1.00 22.41 O ATOM 1567 CB TYR A 109 1.928 10.512 -5.448 1.00 41.42 C ATOM 1568 CG TYR A 109 0.910 9.399 -5.542 1.00 35.54 C ATOM 1569 CD1 TYR A 109 -0.336 9.575 -6.182 1.00 44.34 C ATOM 1570 CD2 TYR A 109 1.189 8.183 -4.904 1.00 1.01 C ATOM 1571 CE1 TYR A 109 -1.315 8.569 -6.130 1.00 20.24 C ATOM 1572 CE2 TYR A 109 0.220 7.174 -4.869 1.00 43.33 C ATOM 1573 CZ TYR A 109 -1.051 7.363 -5.446 1.00 13.13 C ATOM 1574 OH TYR A 109 -2.012 6.421 -5.249 1.00 52.14 O ATOM 0 H TYR A 109 2.883 9.721 -7.590 1.00 55.25 H new ATOM 0 HA TYR A 109 1.050 11.727 -6.986 1.00 42.24 H new ATOM 0 HB2 TYR A 109 2.904 10.071 -5.248 1.00 41.42 H new ATOM 0 HB3 TYR A 109 1.678 11.136 -4.590 1.00 41.42 H new ATOM 0 HD1 TYR A 109 -0.538 10.491 -6.716 1.00 44.34 H new ATOM 0 HD2 TYR A 109 2.151 8.025 -4.440 1.00 1.01 H new ATOM 0 HE1 TYR A 109 -2.269 8.718 -6.613 1.00 20.24 H new ATOM 0 HE2 TYR A 109 0.451 6.233 -4.391 1.00 43.33 H new ATOM 0 HH TYR A 109 -1.604 5.530 -5.262 1.00 52.14 H new ATOM 1583 N LEU A 110 4.202 12.557 -6.327 1.00 60.33 N ATOM 1584 CA LEU A 110 5.029 13.698 -5.950 1.00 3.42 C ATOM 1585 C LEU A 110 4.737 14.886 -6.863 1.00 1.22 C ATOM 1586 O LEU A 110 4.570 16.014 -6.384 1.00 12.00 O ATOM 1587 CB LEU A 110 6.518 13.342 -5.999 1.00 62.11 C ATOM 1588 CG LEU A 110 6.909 12.151 -5.111 1.00 35.32 C ATOM 1589 CD1 LEU A 110 8.405 11.917 -5.236 1.00 25.32 C ATOM 1590 CD2 LEU A 110 6.492 12.338 -3.650 1.00 24.20 C ATOM 0 H LEU A 110 4.726 11.720 -6.581 1.00 60.33 H new ATOM 0 HA LEU A 110 4.782 13.971 -4.924 1.00 3.42 H new ATOM 0 HB2 LEU A 110 6.793 13.118 -7.030 1.00 62.11 H new ATOM 0 HB3 LEU A 110 7.099 14.213 -5.696 1.00 62.11 H new ATOM 0 HG LEU A 110 6.367 11.271 -5.459 1.00 35.32 H new ATOM 0 HD11 LEU A 110 8.695 11.073 -4.610 1.00 25.32 H new ATOM 0 HD12 LEU A 110 8.654 11.700 -6.275 1.00 25.32 H new ATOM 0 HD13 LEU A 110 8.941 12.810 -4.913 1.00 25.32 H new ATOM 0 HD21 LEU A 110 6.794 11.465 -3.071 1.00 24.20 H new ATOM 0 HD22 LEU A 110 6.975 13.227 -3.245 1.00 24.20 H new ATOM 0 HD23 LEU A 110 5.410 12.454 -3.593 1.00 24.20 H new ATOM 1601 N ALA A 111 4.634 14.615 -8.162 1.00 52.54 N ATOM 1602 CA ALA A 111 4.247 15.577 -9.177 1.00 62.55 C ATOM 1603 C ALA A 111 2.835 16.117 -8.907 1.00 22.34 C ATOM 1604 O ALA A 111 2.666 17.319 -8.678 1.00 44.12 O ATOM 1605 CB ALA A 111 4.360 14.892 -10.541 1.00 13.23 C ATOM 0 H ALA A 111 4.825 13.689 -8.544 1.00 52.54 H new ATOM 0 HA ALA A 111 4.908 16.444 -9.159 1.00 62.55 H new ATOM 0 HB1 ALA A 111 4.074 15.593 -11.325 1.00 13.23 H new ATOM 0 HB2 ALA A 111 5.388 14.568 -10.701 1.00 13.23 H new ATOM 0 HB3 ALA A 111 3.698 14.027 -10.570 1.00 13.23 H new ATOM 1611 N ARG A 112 1.825 15.232 -8.887 1.00 43.02 N ATOM 1612 CA ARG A 112 0.408 15.585 -8.712 1.00 41.01 C ATOM 1613 C ARG A 112 0.230 16.460 -7.473 1.00 0.15 C ATOM 1614 O ARG A 112 -0.462 17.477 -7.525 1.00 24.10 O ATOM 1615 CB ARG A 112 -0.473 14.317 -8.589 1.00 63.22 C ATOM 1616 CG ARG A 112 -0.431 13.342 -9.784 1.00 40.32 C ATOM 1617 CD ARG A 112 -1.630 13.401 -10.738 1.00 20.43 C ATOM 1618 NE ARG A 112 -2.802 12.629 -10.265 1.00 54.55 N ATOM 1619 CZ ARG A 112 -4.032 12.676 -10.803 1.00 23.33 C ATOM 1620 NH1 ARG A 112 -4.326 13.551 -11.757 1.00 60.11 N ATOM 1621 NH2 ARG A 112 -4.976 11.829 -10.415 1.00 14.50 N ATOM 0 H ARG A 112 1.975 14.229 -8.995 1.00 43.02 H new ATOM 0 HA ARG A 112 0.090 16.140 -9.594 1.00 41.01 H new ATOM 0 HB2 ARG A 112 -0.170 13.775 -7.693 1.00 63.22 H new ATOM 0 HB3 ARG A 112 -1.506 14.630 -8.438 1.00 63.22 H new ATOM 0 HG2 ARG A 112 0.475 13.539 -10.357 1.00 40.32 H new ATOM 0 HG3 ARG A 112 -0.349 12.326 -9.397 1.00 40.32 H new ATOM 0 HD2 ARG A 112 -1.923 14.442 -10.876 1.00 20.43 H new ATOM 0 HD3 ARG A 112 -1.326 13.023 -11.714 1.00 20.43 H new ATOM 0 HE ARG A 112 -2.664 12.011 -9.465 1.00 54.55 H new ATOM 0 HH11 ARG A 112 -3.613 14.200 -12.091 1.00 60.11 H new ATOM 0 HH12 ARG A 112 -5.265 13.575 -12.156 1.00 60.11 H new ATOM 0 HH21 ARG A 112 -4.772 11.131 -9.700 1.00 14.50 H new ATOM 0 HH22 ARG A 112 -5.906 11.876 -10.832 1.00 14.50 H new ATOM 1632 N LEU A 113 0.887 16.091 -6.372 1.00 2.14 N ATOM 1633 CA LEU A 113 0.855 16.743 -5.077 1.00 23.21 C ATOM 1634 C LEU A 113 1.229 18.203 -5.228 1.00 40.41 C ATOM 1635 O LEU A 113 0.452 19.075 -4.834 1.00 60.54 O ATOM 1636 CB LEU A 113 1.804 15.988 -4.128 1.00 54.33 C ATOM 1637 CG LEU A 113 2.056 16.617 -2.749 1.00 54.02 C ATOM 1638 CD1 LEU A 113 0.792 17.104 -2.061 1.00 74.43 C ATOM 1639 CD2 LEU A 113 2.658 15.553 -1.833 1.00 1.03 C ATOM 0 H LEU A 113 1.495 15.272 -6.370 1.00 2.14 H new ATOM 0 HA LEU A 113 -0.148 16.716 -4.651 1.00 23.21 H new ATOM 0 HB2 LEU A 113 1.404 14.986 -3.975 1.00 54.33 H new ATOM 0 HB3 LEU A 113 2.765 15.874 -4.629 1.00 54.33 H new ATOM 0 HG LEU A 113 2.711 17.472 -2.918 1.00 54.02 H new ATOM 0 HD11 LEU A 113 1.048 17.536 -1.093 1.00 74.43 H new ATOM 0 HD12 LEU A 113 0.309 17.861 -2.680 1.00 74.43 H new ATOM 0 HD13 LEU A 113 0.111 16.266 -1.916 1.00 74.43 H new ATOM 0 HD21 LEU A 113 2.843 15.983 -0.849 1.00 1.03 H new ATOM 0 HD22 LEU A 113 1.963 14.718 -1.739 1.00 1.03 H new ATOM 0 HD23 LEU A 113 3.597 15.198 -2.256 1.00 1.03 H new ATOM 1650 N ARG A 114 2.403 18.486 -5.799 1.00 4.44 N ATOM 1651 CA ARG A 114 2.860 19.862 -5.909 1.00 51.41 C ATOM 1652 C ARG A 114 1.931 20.687 -6.789 1.00 41.32 C ATOM 1653 O ARG A 114 1.554 21.787 -6.389 1.00 51.01 O ATOM 1654 CB ARG A 114 4.304 19.917 -6.415 1.00 32.20 C ATOM 1655 CG ARG A 114 5.270 19.535 -5.289 1.00 64.44 C ATOM 1656 CD ARG A 114 6.706 19.395 -5.792 1.00 11.51 C ATOM 1657 NE ARG A 114 7.353 20.701 -6.025 1.00 42.31 N ATOM 1658 CZ ARG A 114 8.171 21.026 -7.036 1.00 1.02 C ATOM 1659 NH1 ARG A 114 8.396 20.193 -8.049 1.00 21.31 N ATOM 1660 NH2 ARG A 114 8.762 22.216 -7.020 1.00 42.32 N ATOM 0 H ARG A 114 3.041 17.789 -6.185 1.00 4.44 H new ATOM 0 HA ARG A 114 2.838 20.303 -4.912 1.00 51.41 H new ATOM 0 HB2 ARG A 114 4.429 19.237 -7.258 1.00 32.20 H new ATOM 0 HB3 ARG A 114 4.533 20.919 -6.777 1.00 32.20 H new ATOM 0 HG2 ARG A 114 5.232 20.292 -4.506 1.00 64.44 H new ATOM 0 HG3 ARG A 114 4.950 18.595 -4.839 1.00 64.44 H new ATOM 0 HD2 ARG A 114 7.289 18.829 -5.065 1.00 11.51 H new ATOM 0 HD3 ARG A 114 6.709 18.821 -6.719 1.00 11.51 H new ATOM 0 HE ARG A 114 7.157 21.435 -5.344 1.00 42.31 H new ATOM 0 HH11 ARG A 114 7.941 19.280 -8.070 1.00 21.31 H new ATOM 0 HH12 ARG A 114 9.024 20.467 -8.805 1.00 21.31 H new ATOM 0 HH21 ARG A 114 8.589 22.861 -6.249 1.00 42.32 H new ATOM 0 HH22 ARG A 114 9.388 22.485 -7.779 1.00 42.32 H new ATOM 1671 N ALA A 115 1.503 20.155 -7.937 1.00 12.23 N ATOM 1672 CA ALA A 115 0.601 20.870 -8.828 1.00 3.23 C ATOM 1673 C ALA A 115 -0.768 21.082 -8.172 1.00 22.21 C ATOM 1674 O ALA A 115 -1.516 21.960 -8.601 1.00 1.33 O ATOM 1675 CB ALA A 115 0.473 20.102 -10.147 1.00 15.01 C ATOM 0 H ALA A 115 1.771 19.228 -8.267 1.00 12.23 H new ATOM 0 HA ALA A 115 1.014 21.857 -9.035 1.00 3.23 H new ATOM 0 HB1 ALA A 115 -0.202 20.636 -10.815 1.00 15.01 H new ATOM 0 HB2 ALA A 115 1.454 20.016 -10.615 1.00 15.01 H new ATOM 0 HB3 ALA A 115 0.076 19.106 -9.951 1.00 15.01 H new ATOM 1681 N ALA A 116 -1.112 20.305 -7.136 1.00 15.02 N ATOM 1682 CA ALA A 116 -2.380 20.402 -6.439 1.00 13.03 C ATOM 1683 C ALA A 116 -2.259 21.140 -5.102 1.00 22.33 C ATOM 1684 O ALA A 116 -3.272 21.273 -4.413 1.00 40.52 O ATOM 1685 CB ALA A 116 -2.952 19.000 -6.233 1.00 52.32 C ATOM 0 H ALA A 116 -0.499 19.582 -6.760 1.00 15.02 H new ATOM 0 HA ALA A 116 -3.058 20.991 -7.056 1.00 13.03 H new ATOM 0 HB1 ALA A 116 -3.905 19.069 -5.709 1.00 52.32 H new ATOM 0 HB2 ALA A 116 -3.104 18.523 -7.201 1.00 52.32 H new ATOM 0 HB3 ALA A 116 -2.255 18.406 -5.641 1.00 52.32 H new ATOM 1691 N LYS A 117 -1.057 21.606 -4.734 1.00 64.41 N ATOM 1692 CA LYS A 117 -0.716 22.317 -3.496 1.00 35.35 C ATOM 1693 C LYS A 117 -1.199 21.624 -2.209 1.00 73.13 C ATOM 1694 O LYS A 117 -1.437 22.282 -1.194 1.00 75.41 O ATOM 1695 CB LYS A 117 -1.179 23.781 -3.565 1.00 40.41 C ATOM 1696 CG LYS A 117 -0.678 24.568 -4.785 1.00 40.01 C ATOM 1697 CD LYS A 117 -1.686 24.577 -5.949 1.00 40.23 C ATOM 1698 CE LYS A 117 -1.249 25.648 -6.947 1.00 23.32 C ATOM 1699 NZ LYS A 117 -2.375 26.452 -7.467 1.00 53.23 N ATOM 0 H LYS A 117 -0.242 21.487 -5.336 1.00 64.41 H new ATOM 0 HA LYS A 117 0.372 22.294 -3.429 1.00 35.35 H new ATOM 0 HB2 LYS A 117 -2.269 23.801 -3.562 1.00 40.41 H new ATOM 0 HB3 LYS A 117 -0.848 24.293 -2.661 1.00 40.41 H new ATOM 0 HG2 LYS A 117 -0.467 25.595 -4.487 1.00 40.01 H new ATOM 0 HG3 LYS A 117 0.262 24.136 -5.129 1.00 40.01 H new ATOM 0 HD2 LYS A 117 -1.720 23.600 -6.430 1.00 40.23 H new ATOM 0 HD3 LYS A 117 -2.690 24.787 -5.581 1.00 40.23 H new ATOM 0 HE2 LYS A 117 -0.529 26.311 -6.467 1.00 23.32 H new ATOM 0 HE3 LYS A 117 -0.736 25.170 -7.782 1.00 23.32 H new ATOM 0 HZ1 LYS A 117 -2.015 27.160 -8.138 1.00 53.23 H new ATOM 0 HZ2 LYS A 117 -3.052 25.829 -7.951 1.00 53.23 H new ATOM 0 HZ3 LYS A 117 -2.851 26.934 -6.678 1.00 53.23 H new ATOM 1709 N ALA A 118 -1.373 20.301 -2.242 1.00 61.21 N ATOM 1710 CA ALA A 118 -1.876 19.565 -1.090 1.00 51.02 C ATOM 1711 C ALA A 118 -0.771 19.395 -0.030 1.00 12.31 C ATOM 1712 O ALA A 118 0.391 19.745 -0.266 1.00 13.21 O ATOM 1713 CB ALA A 118 -2.492 18.243 -1.564 1.00 44.31 C ATOM 0 H ALA A 118 -1.172 19.721 -3.057 1.00 61.21 H new ATOM 0 HA ALA A 118 -2.669 20.126 -0.596 1.00 51.02 H new ATOM 0 HB1 ALA A 118 -2.870 17.689 -0.705 1.00 44.31 H new ATOM 0 HB2 ALA A 118 -3.312 18.450 -2.252 1.00 44.31 H new ATOM 0 HB3 ALA A 118 -1.733 17.650 -2.073 1.00 44.31 H new ATOM 1719 N SER A 119 -1.115 18.866 1.146 1.00 72.44 N ATOM 1720 CA SER A 119 -0.179 18.716 2.259 1.00 20.34 C ATOM 1721 C SER A 119 0.943 17.724 1.957 1.00 20.33 C ATOM 1722 O SER A 119 0.723 16.675 1.347 1.00 24.34 O ATOM 1723 CB SER A 119 -0.939 18.279 3.512 1.00 52.34 C ATOM 1724 OG SER A 119 -1.938 19.244 3.790 1.00 21.44 O ATOM 0 H SER A 119 -2.055 18.529 1.353 1.00 72.44 H new ATOM 0 HA SER A 119 0.290 19.686 2.422 1.00 20.34 H new ATOM 0 HB2 SER A 119 -1.391 17.299 3.359 1.00 52.34 H new ATOM 0 HB3 SER A 119 -0.256 18.186 4.356 1.00 52.34 H new ATOM 0 HG SER A 119 -2.436 18.978 4.591 1.00 21.44 H new ATOM 1729 N ARG A 120 2.149 18.027 2.436 1.00 11.30 N ATOM 1730 CA ARG A 120 3.348 17.221 2.236 1.00 54.01 C ATOM 1731 C ARG A 120 3.803 16.799 3.626 1.00 63.12 C ATOM 1732 O ARG A 120 4.778 17.316 4.163 1.00 12.13 O ATOM 1733 CB ARG A 120 4.411 17.974 1.395 1.00 40.23 C ATOM 1734 CG ARG A 120 3.802 18.722 0.191 1.00 60.43 C ATOM 1735 CD ARG A 120 4.781 18.976 -0.961 1.00 75.22 C ATOM 1736 NE ARG A 120 5.784 20.009 -0.660 1.00 41.04 N ATOM 1737 CZ ARG A 120 6.943 20.181 -1.309 1.00 53.54 C ATOM 1738 NH1 ARG A 120 7.361 19.311 -2.219 1.00 12.13 N ATOM 1739 NH2 ARG A 120 7.680 21.257 -1.062 1.00 35.51 N ATOM 0 H ARG A 120 2.321 18.866 2.990 1.00 11.30 H new ATOM 0 HA ARG A 120 3.158 16.328 1.640 1.00 54.01 H new ATOM 0 HB2 ARG A 120 4.934 18.687 2.033 1.00 40.23 H new ATOM 0 HB3 ARG A 120 5.154 17.262 1.036 1.00 40.23 H new ATOM 0 HG2 ARG A 120 2.956 18.148 -0.188 1.00 60.43 H new ATOM 0 HG3 ARG A 120 3.409 19.679 0.535 1.00 60.43 H new ATOM 0 HD2 ARG A 120 5.292 18.045 -1.205 1.00 75.22 H new ATOM 0 HD3 ARG A 120 4.219 19.273 -1.846 1.00 75.22 H new ATOM 0 HE ARG A 120 5.580 20.648 0.108 1.00 41.04 H new ATOM 0 HH11 ARG A 120 6.796 18.490 -2.437 1.00 12.13 H new ATOM 0 HH12 ARG A 120 8.247 19.463 -2.701 1.00 12.13 H new ATOM 0 HH21 ARG A 120 7.363 21.947 -0.381 1.00 35.51 H new ATOM 0 HH22 ARG A 120 8.564 21.394 -1.553 1.00 35.51 H new ATOM 1750 N GLU A 121 3.022 15.932 4.268 1.00 62.35 N ATOM 1751 CA GLU A 121 3.364 15.353 5.565 1.00 12.20 C ATOM 1752 C GLU A 121 4.747 14.683 5.532 1.00 54.42 C ATOM 1753 O GLU A 121 5.237 14.341 4.448 1.00 72.22 O ATOM 1754 CB GLU A 121 2.268 14.360 6.001 1.00 32.30 C ATOM 1755 CG GLU A 121 0.908 15.017 6.259 1.00 15.25 C ATOM 1756 CD GLU A 121 1.067 16.361 6.984 1.00 44.14 C ATOM 1757 OE1 GLU A 121 1.531 16.356 8.147 1.00 34.34 O ATOM 1758 OE2 GLU A 121 0.857 17.427 6.361 1.00 15.05 O ATOM 0 H GLU A 121 2.127 15.609 3.899 1.00 62.35 H new ATOM 0 HA GLU A 121 3.417 16.156 6.301 1.00 12.20 H new ATOM 0 HB2 GLU A 121 2.153 13.598 5.230 1.00 32.30 H new ATOM 0 HB3 GLU A 121 2.593 13.849 6.908 1.00 32.30 H new ATOM 0 HG2 GLU A 121 0.391 15.171 5.312 1.00 15.25 H new ATOM 0 HG3 GLU A 121 0.287 14.350 6.857 1.00 15.25 H new ATOM 1763 N PRO A 122 5.378 14.489 6.703 1.00 12.24 N ATOM 1764 CA PRO A 122 6.629 13.757 6.786 1.00 71.23 C ATOM 1765 C PRO A 122 6.402 12.321 6.323 1.00 15.01 C ATOM 1766 O PRO A 122 5.336 11.767 6.569 1.00 21.34 O ATOM 1767 CB PRO A 122 7.079 13.842 8.254 1.00 72.31 C ATOM 1768 CG PRO A 122 5.840 14.260 9.046 1.00 42.04 C ATOM 1769 CD PRO A 122 4.919 14.917 8.019 1.00 1.34 C ATOM 0 HA PRO A 122 7.406 14.170 6.143 1.00 71.23 H new ATOM 0 HB2 PRO A 122 7.460 12.882 8.602 1.00 72.31 H new ATOM 0 HB3 PRO A 122 7.884 14.567 8.375 1.00 72.31 H new ATOM 0 HG2 PRO A 122 5.361 13.399 9.513 1.00 42.04 H new ATOM 0 HG3 PRO A 122 6.098 14.954 9.846 1.00 42.04 H new ATOM 0 HD2 PRO A 122 3.883 14.619 8.183 1.00 1.34 H new ATOM 0 HD3 PRO A 122 4.956 16.003 8.106 1.00 1.34 H new