USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 705 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 9 THR OG1 : rot 17:sc= 1.08 USER MOD Set 1.2: A 13 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -48:sc= 1.15 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0934 USER MOD Single : A 16 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.14) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 174:sc= 0 (180deg=-0.0163) USER MOD Single : A 23 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.27) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 120:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.573 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 175:sc= -0.683 (180deg=-0.819) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.26) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.553 (180deg=-2.94!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 172:sc= -2.05 (180deg=-2.29!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 66 MET CE :methyl 140:sc= -0.567 (180deg=-4.32!) USER MOD Single : A 67 TYR OH : rot 109:sc= 0.0561 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.000735 X(o=-0.00073,f=-0.11) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0287 K(o=-0.029,f=-0.89) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.171 6.222 15.408 1.00 0.00 N ATOM 2 CA GLY A 1 29.587 6.864 14.174 1.00 0.00 C ATOM 3 C GLY A 1 28.433 7.526 13.447 1.00 0.00 C ATOM 4 O GLY A 1 27.824 6.927 12.561 1.00 0.00 O ATOM 0 H1 GLY A 1 29.995 5.785 15.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.756 6.931 16.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.463 5.490 15.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.349 7.611 14.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.047 6.123 13.520 1.00 0.00 H new ATOM 8 N SER A 2 28.131 8.764 13.823 1.00 0.00 N ATOM 9 CA SER A 2 27.039 9.506 13.204 1.00 0.00 C ATOM 10 C SER A 2 27.329 9.770 11.730 1.00 0.00 C ATOM 11 O SER A 2 28.213 10.556 11.390 1.00 0.00 O ATOM 12 CB SER A 2 26.815 10.831 13.936 1.00 0.00 C ATOM 13 OG SER A 2 26.835 10.647 15.341 1.00 0.00 O ATOM 0 H SER A 2 28.627 9.275 14.553 1.00 0.00 H new ATOM 0 HA SER A 2 26.135 8.901 13.276 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.588 11.544 13.648 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.859 11.259 13.636 1.00 0.00 H new ATOM 0 HG SER A 2 26.691 11.508 15.786 1.00 0.00 H new ATOM 19 N SER A 3 26.577 9.107 10.857 1.00 0.00 N ATOM 20 CA SER A 3 26.754 9.265 9.419 1.00 0.00 C ATOM 21 C SER A 3 25.449 9.691 8.754 1.00 0.00 C ATOM 22 O SER A 3 24.363 9.439 9.274 1.00 0.00 O ATOM 23 CB SER A 3 27.253 7.959 8.798 1.00 0.00 C ATOM 24 OG SER A 3 28.266 7.370 9.595 1.00 0.00 O ATOM 0 H SER A 3 25.839 8.455 11.121 1.00 0.00 H new ATOM 0 HA SER A 3 27.497 10.045 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.421 7.263 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.640 8.153 7.797 1.00 0.00 H new ATOM 0 HG SER A 3 28.567 6.536 9.178 1.00 0.00 H new ATOM 30 N GLY A 4 25.564 10.340 7.599 1.00 0.00 N ATOM 31 CA GLY A 4 24.387 10.792 6.881 1.00 0.00 C ATOM 32 C GLY A 4 23.665 11.915 7.600 1.00 0.00 C ATOM 33 O GLY A 4 24.079 12.337 8.679 1.00 0.00 O ATOM 0 H GLY A 4 26.452 10.561 7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.679 11.130 5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.704 9.954 6.745 1.00 0.00 H new ATOM 37 N SER A 5 22.583 12.400 6.999 1.00 0.00 N ATOM 38 CA SER A 5 21.805 13.485 7.586 1.00 0.00 C ATOM 39 C SER A 5 21.111 13.025 8.865 1.00 0.00 C ATOM 40 O SER A 5 20.065 12.378 8.818 1.00 0.00 O ATOM 41 CB SER A 5 20.767 13.996 6.585 1.00 0.00 C ATOM 42 OG SER A 5 21.393 14.562 5.446 1.00 0.00 O ATOM 0 H SER A 5 22.225 12.059 6.107 1.00 0.00 H new ATOM 0 HA SER A 5 22.489 14.296 7.835 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.119 13.175 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.132 14.742 7.063 1.00 0.00 H new ATOM 0 HG SER A 5 20.709 14.880 4.821 1.00 0.00 H new ATOM 48 N SER A 6 21.701 13.366 10.006 1.00 0.00 N ATOM 49 CA SER A 6 21.143 12.986 11.298 1.00 0.00 C ATOM 50 C SER A 6 20.992 11.471 11.401 1.00 0.00 C ATOM 51 O SER A 6 20.085 10.970 12.064 1.00 0.00 O ATOM 52 CB SER A 6 19.786 13.661 11.510 1.00 0.00 C ATOM 53 OG SER A 6 19.515 13.839 12.890 1.00 0.00 O ATOM 0 H SER A 6 22.565 13.905 10.062 1.00 0.00 H new ATOM 0 HA SER A 6 21.832 13.318 12.075 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.774 14.628 11.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.001 13.056 11.057 1.00 0.00 H new ATOM 0 HG SER A 6 18.643 14.273 12.999 1.00 0.00 H new ATOM 59 N GLY A 7 21.888 10.747 10.737 1.00 0.00 N ATOM 60 CA GLY A 7 21.838 9.297 10.766 1.00 0.00 C ATOM 61 C GLY A 7 21.461 8.704 9.423 1.00 0.00 C ATOM 62 O GLY A 7 20.867 9.379 8.583 1.00 0.00 O ATOM 0 H GLY A 7 22.647 11.139 10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.810 8.909 11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.116 8.976 11.517 1.00 0.00 H new ATOM 66 N GLY A 8 21.808 7.437 9.218 1.00 0.00 N ATOM 67 CA GLY A 8 21.496 6.775 7.965 1.00 0.00 C ATOM 68 C GLY A 8 22.393 5.581 7.701 1.00 0.00 C ATOM 69 O GLY A 8 23.618 5.699 7.719 1.00 0.00 O ATOM 0 H GLY A 8 22.300 6.857 9.898 1.00 0.00 H new ATOM 0 HA2 GLY A 8 20.456 6.448 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 8 21.595 7.488 7.146 1.00 0.00 H new ATOM 73 N THR A 9 21.781 4.426 7.456 1.00 0.00 N ATOM 74 CA THR A 9 22.532 3.206 7.190 1.00 0.00 C ATOM 75 C THR A 9 22.892 3.093 5.713 1.00 0.00 C ATOM 76 O THR A 9 22.024 2.878 4.867 1.00 0.00 O ATOM 77 CB THR A 9 21.737 1.955 7.610 1.00 0.00 C ATOM 78 OG1 THR A 9 20.593 1.794 6.764 1.00 0.00 O ATOM 79 CG2 THR A 9 21.291 2.059 9.061 1.00 0.00 C ATOM 0 H THR A 9 20.768 4.311 7.436 1.00 0.00 H new ATOM 0 HA THR A 9 23.446 3.262 7.781 1.00 0.00 H new ATOM 0 HB THR A 9 22.388 1.087 7.508 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.703 2.340 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 9 20.732 1.164 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 9 22.166 2.151 9.705 1.00 0.00 H new ATOM 0 HG23 THR A 9 20.656 2.936 9.184 1.00 0.00 H new ATOM 87 N VAL A 10 24.178 3.238 5.410 1.00 0.00 N ATOM 88 CA VAL A 10 24.654 3.151 4.034 1.00 0.00 C ATOM 89 C VAL A 10 24.771 1.699 3.585 1.00 0.00 C ATOM 90 O VAL A 10 25.851 1.111 3.624 1.00 0.00 O ATOM 91 CB VAL A 10 26.021 3.840 3.868 1.00 0.00 C ATOM 92 CG1 VAL A 10 26.418 3.893 2.401 1.00 0.00 C ATOM 93 CG2 VAL A 10 25.991 5.236 4.472 1.00 0.00 C ATOM 0 H VAL A 10 24.909 3.416 6.099 1.00 0.00 H new ATOM 0 HA VAL A 10 23.920 3.663 3.412 1.00 0.00 H new ATOM 0 HB VAL A 10 26.770 3.255 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.387 4.383 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 10 26.483 2.880 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 10 25.669 4.454 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 10 26.965 5.708 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 10 25.230 5.834 3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 10 25.756 5.168 5.534 1.00 0.00 H new ATOM 103 N SER A 11 23.650 1.125 3.156 1.00 0.00 N ATOM 104 CA SER A 11 23.626 -0.260 2.701 1.00 0.00 C ATOM 105 C SER A 11 24.189 -1.192 3.770 1.00 0.00 C ATOM 106 O SER A 11 24.716 -2.260 3.461 1.00 0.00 O ATOM 107 CB SER A 11 24.426 -0.408 1.406 1.00 0.00 C ATOM 108 OG SER A 11 25.789 -0.684 1.677 1.00 0.00 O ATOM 0 H SER A 11 22.747 1.598 3.114 1.00 0.00 H new ATOM 0 HA SER A 11 22.589 -0.537 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 11 24.002 -1.211 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 11 24.347 0.507 0.819 1.00 0.00 H new ATOM 0 HG SER A 11 26.120 -0.061 2.357 1.00 0.00 H new ATOM 114 N ALA A 12 24.073 -0.779 5.028 1.00 0.00 N ATOM 115 CA ALA A 12 24.568 -1.577 6.142 1.00 0.00 C ATOM 116 C ALA A 12 23.590 -2.693 6.495 1.00 0.00 C ATOM 117 O ALA A 12 23.919 -3.876 6.397 1.00 0.00 O ATOM 118 CB ALA A 12 24.820 -0.692 7.354 1.00 0.00 C ATOM 0 H ALA A 12 23.640 0.104 5.301 1.00 0.00 H new ATOM 0 HA ALA A 12 25.509 -2.036 5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 12 25.189 -1.301 8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 12 25.561 0.067 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 12 23.890 -0.207 7.650 1.00 0.00 H new ATOM 124 N THR A 13 22.386 -2.310 6.908 1.00 0.00 N ATOM 125 CA THR A 13 21.361 -3.279 7.278 1.00 0.00 C ATOM 126 C THR A 13 20.911 -4.092 6.069 1.00 0.00 C ATOM 127 O THR A 13 20.390 -3.542 5.099 1.00 0.00 O ATOM 128 CB THR A 13 20.134 -2.588 7.903 1.00 0.00 C ATOM 129 OG1 THR A 13 19.885 -1.342 7.242 1.00 0.00 O ATOM 130 CG2 THR A 13 20.349 -2.345 9.389 1.00 0.00 C ATOM 0 H THR A 13 22.096 -1.336 6.995 1.00 0.00 H new ATOM 0 HA THR A 13 21.808 -3.946 8.015 1.00 0.00 H new ATOM 0 HB THR A 13 19.272 -3.244 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.103 -0.909 7.644 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.470 -1.856 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.510 -3.297 9.894 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.221 -1.707 9.531 1.00 0.00 H new ATOM 138 N SER A 14 21.115 -5.403 6.135 1.00 0.00 N ATOM 139 CA SER A 14 20.733 -6.292 5.044 1.00 0.00 C ATOM 140 C SER A 14 19.215 -6.381 4.922 1.00 0.00 C ATOM 141 O SER A 14 18.472 -6.067 5.853 1.00 0.00 O ATOM 142 CB SER A 14 21.321 -7.687 5.264 1.00 0.00 C ATOM 143 OG SER A 14 21.454 -7.972 6.646 1.00 0.00 O ATOM 0 H SER A 14 21.543 -5.874 6.932 1.00 0.00 H new ATOM 0 HA SER A 14 21.131 -5.880 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 14 20.680 -8.434 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 14 22.295 -7.755 4.780 1.00 0.00 H new ATOM 0 HG SER A 14 21.830 -8.870 6.760 1.00 0.00 H new ATOM 149 N PRO A 15 18.741 -6.821 3.747 1.00 0.00 N ATOM 150 CA PRO A 15 17.308 -6.963 3.474 1.00 0.00 C ATOM 151 C PRO A 15 16.677 -8.103 4.266 1.00 0.00 C ATOM 152 O PRO A 15 17.379 -8.911 4.874 1.00 0.00 O ATOM 153 CB PRO A 15 17.260 -7.263 1.974 1.00 0.00 C ATOM 154 CG PRO A 15 18.584 -7.873 1.668 1.00 0.00 C ATOM 155 CD PRO A 15 19.568 -7.214 2.594 1.00 0.00 C ATOM 0 HA PRO A 15 16.748 -6.073 3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 15 16.445 -7.945 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 15 17.099 -6.355 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 15 18.562 -8.951 1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.858 -7.708 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 15 20.365 -7.898 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 15 20.043 -6.351 2.127 1.00 0.00 H new ATOM 163 N ASN A 16 15.350 -8.162 4.255 1.00 0.00 N ATOM 164 CA ASN A 16 14.625 -9.205 4.972 1.00 0.00 C ATOM 165 C ASN A 16 13.413 -9.673 4.173 1.00 0.00 C ATOM 166 O ASN A 16 12.981 -9.008 3.231 1.00 0.00 O ATOM 167 CB ASN A 16 14.179 -8.693 6.343 1.00 0.00 C ATOM 168 CG ASN A 16 13.957 -9.817 7.337 1.00 0.00 C ATOM 169 OD1 ASN A 16 14.880 -10.565 7.661 1.00 0.00 O ATOM 170 ND2 ASN A 16 12.728 -9.942 7.824 1.00 0.00 N ATOM 0 H ASN A 16 14.754 -7.500 3.758 1.00 0.00 H new ATOM 0 HA ASN A 16 15.297 -10.052 5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.932 -8.009 6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 16 13.257 -8.122 6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.518 -10.681 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.994 -9.299 7.527 1.00 0.00 H new ATOM 177 N LYS A 17 12.867 -10.823 4.556 1.00 0.00 N ATOM 178 CA LYS A 17 11.704 -11.381 3.877 1.00 0.00 C ATOM 179 C LYS A 17 10.490 -10.472 4.041 1.00 0.00 C ATOM 180 O LYS A 17 10.409 -9.694 4.993 1.00 0.00 O ATOM 181 CB LYS A 17 11.387 -12.774 4.426 1.00 0.00 C ATOM 182 CG LYS A 17 12.269 -13.869 3.850 1.00 0.00 C ATOM 183 CD LYS A 17 11.927 -15.228 4.439 1.00 0.00 C ATOM 184 CE LYS A 17 12.684 -15.481 5.734 1.00 0.00 C ATOM 185 NZ LYS A 17 14.002 -16.130 5.488 1.00 0.00 N ATOM 0 H LYS A 17 13.212 -11.386 5.333 1.00 0.00 H new ATOM 0 HA LYS A 17 11.938 -11.459 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.498 -12.762 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.344 -13.010 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.151 -13.901 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.315 -13.638 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.855 -15.285 4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.167 -16.009 3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.836 -14.536 6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.084 -16.114 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.487 -16.286 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.856 -17.043 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.585 -15.515 4.885 1.00 0.00 H new ATOM 199 N CYS A 18 9.549 -10.575 3.109 1.00 0.00 N ATOM 200 CA CYS A 18 8.339 -9.762 3.150 1.00 0.00 C ATOM 201 C CYS A 18 7.109 -10.630 3.394 1.00 0.00 C ATOM 202 O CYS A 18 6.277 -10.812 2.504 1.00 0.00 O ATOM 203 CB CYS A 18 8.178 -8.983 1.844 1.00 0.00 C ATOM 204 SG CYS A 18 9.402 -7.673 1.611 1.00 0.00 S ATOM 0 H CYS A 18 9.601 -11.214 2.315 1.00 0.00 H new ATOM 0 HA CYS A 18 8.433 -9.056 3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.243 -9.679 1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.181 -8.543 1.816 1.00 0.00 H new ATOM 0 HG CYS A 18 9.185 -7.073 0.478 1.00 0.00 H new ATOM 210 N LYS A 19 6.999 -11.166 4.605 1.00 0.00 N ATOM 211 CA LYS A 19 5.871 -12.016 4.966 1.00 0.00 C ATOM 212 C LYS A 19 5.149 -11.468 6.193 1.00 0.00 C ATOM 213 O LYS A 19 4.923 -12.188 7.165 1.00 0.00 O ATOM 214 CB LYS A 19 6.349 -13.444 5.239 1.00 0.00 C ATOM 215 CG LYS A 19 5.237 -14.478 5.185 1.00 0.00 C ATOM 216 CD LYS A 19 5.586 -15.714 5.997 1.00 0.00 C ATOM 217 CE LYS A 19 5.571 -15.423 7.490 1.00 0.00 C ATOM 218 NZ LYS A 19 5.711 -16.665 8.299 1.00 0.00 N ATOM 0 H LYS A 19 7.678 -11.026 5.353 1.00 0.00 H new ATOM 0 HA LYS A 19 5.173 -12.027 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.115 -13.708 4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.819 -13.479 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.313 -14.041 5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.053 -14.762 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.876 -16.510 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.572 -16.076 5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.382 -14.737 7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.640 -14.922 7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.696 -16.424 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.923 -17.309 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.612 -17.131 8.067 1.00 0.00 H new ATOM 232 N ARG A 20 4.787 -10.190 6.139 1.00 0.00 N ATOM 233 CA ARG A 20 4.090 -9.546 7.246 1.00 0.00 C ATOM 234 C ARG A 20 2.777 -8.927 6.775 1.00 0.00 C ATOM 235 O ARG A 20 2.590 -8.631 5.594 1.00 0.00 O ATOM 236 CB ARG A 20 4.975 -8.470 7.878 1.00 0.00 C ATOM 237 CG ARG A 20 5.735 -7.633 6.862 1.00 0.00 C ATOM 238 CD ARG A 20 7.106 -8.221 6.568 1.00 0.00 C ATOM 239 NE ARG A 20 8.073 -7.195 6.189 1.00 0.00 N ATOM 240 CZ ARG A 20 8.061 -6.571 5.016 1.00 0.00 C ATOM 241 NH1 ARG A 20 7.137 -6.868 4.113 1.00 0.00 N ATOM 242 NH2 ARG A 20 8.974 -5.648 4.745 1.00 0.00 N ATOM 0 H ARG A 20 4.965 -9.580 5.341 1.00 0.00 H new ATOM 0 HA ARG A 20 3.866 -10.307 7.993 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.354 -7.812 8.487 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.689 -8.947 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.160 -7.570 5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.847 -6.616 7.238 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.468 -8.753 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.021 -8.953 5.765 1.00 0.00 H new ATOM 0 HE ARG A 20 8.797 -6.943 6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.433 -7.577 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.130 -6.387 3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.686 -5.417 5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.964 -5.170 3.844 1.00 0.00 H new ATOM 256 N PRO A 21 1.845 -8.726 7.718 1.00 0.00 N ATOM 257 CA PRO A 21 0.534 -8.141 7.423 1.00 0.00 C ATOM 258 C PRO A 21 0.627 -6.663 7.062 1.00 0.00 C ATOM 259 O PRO A 21 1.536 -5.962 7.506 1.00 0.00 O ATOM 260 CB PRO A 21 -0.239 -8.324 8.732 1.00 0.00 C ATOM 261 CG PRO A 21 0.812 -8.391 9.786 1.00 0.00 C ATOM 262 CD PRO A 21 2.000 -9.055 9.145 1.00 0.00 C ATOM 0 HA PRO A 21 0.061 -8.614 6.563 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.923 -7.494 8.907 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.840 -9.233 8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.069 -7.394 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.465 -8.961 10.648 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.939 -8.673 9.546 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.997 -10.132 9.312 1.00 0.00 H new ATOM 270 N MET A 22 -0.319 -6.195 6.254 1.00 0.00 N ATOM 271 CA MET A 22 -0.344 -4.798 5.835 1.00 0.00 C ATOM 272 C MET A 22 -1.509 -4.057 6.483 1.00 0.00 C ATOM 273 O MET A 22 -2.610 -4.013 5.936 1.00 0.00 O ATOM 274 CB MET A 22 -0.447 -4.703 4.312 1.00 0.00 C ATOM 275 CG MET A 22 0.798 -5.187 3.587 1.00 0.00 C ATOM 276 SD MET A 22 0.453 -5.737 1.905 1.00 0.00 S ATOM 277 CE MET A 22 -0.130 -4.214 1.163 1.00 0.00 C ATOM 0 H MET A 22 -1.078 -6.762 5.876 1.00 0.00 H new ATOM 0 HA MET A 22 0.586 -4.330 6.159 1.00 0.00 H new ATOM 0 HB2 MET A 22 -1.303 -5.288 3.977 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.640 -3.667 4.033 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.533 -4.382 3.558 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.245 -6.007 4.149 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.283 -4.365 0.094 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.072 -3.921 1.626 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.610 -3.428 1.316 1.00 0.00 H new ATOM 287 N ASN A 23 -1.258 -3.475 7.652 1.00 0.00 N ATOM 288 CA ASN A 23 -2.288 -2.737 8.374 1.00 0.00 C ATOM 289 C ASN A 23 -2.910 -1.663 7.487 1.00 0.00 C ATOM 290 O ASN A 23 -2.434 -1.403 6.382 1.00 0.00 O ATOM 291 CB ASN A 23 -1.697 -2.096 9.631 1.00 0.00 C ATOM 292 CG ASN A 23 -0.818 -3.055 10.411 1.00 0.00 C ATOM 293 OD1 ASN A 23 -1.221 -4.179 10.711 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.389 -2.614 10.744 1.00 0.00 N ATOM 0 H ASN A 23 -0.351 -3.500 8.119 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.069 -3.440 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.113 -1.220 9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.506 -1.746 10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.024 -3.214 11.270 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.681 -1.675 10.474 1.00 0.00 H new ATOM 301 N ALA A 24 -3.977 -1.042 7.979 1.00 0.00 N ATOM 302 CA ALA A 24 -4.664 0.005 7.233 1.00 0.00 C ATOM 303 C ALA A 24 -3.692 1.098 6.800 1.00 0.00 C ATOM 304 O ALA A 24 -3.610 1.439 5.620 1.00 0.00 O ATOM 305 CB ALA A 24 -5.789 0.597 8.068 1.00 0.00 C ATOM 0 H ALA A 24 -4.384 -1.246 8.892 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.090 -0.443 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.293 1.378 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.504 -0.186 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.377 1.024 8.983 1.00 0.00 H new ATOM 311 N PHE A 25 -2.958 1.645 7.763 1.00 0.00 N ATOM 312 CA PHE A 25 -1.992 2.701 7.482 1.00 0.00 C ATOM 313 C PHE A 25 -1.019 2.271 6.388 1.00 0.00 C ATOM 314 O PHE A 25 -0.732 3.031 5.464 1.00 0.00 O ATOM 315 CB PHE A 25 -1.221 3.067 8.752 1.00 0.00 C ATOM 316 CG PHE A 25 -0.241 4.189 8.555 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.669 5.432 8.117 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.108 4.000 8.809 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.231 6.465 7.935 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.012 5.030 8.629 1.00 0.00 C ATOM 321 CZ PHE A 25 1.573 6.264 8.192 1.00 0.00 C ATOM 0 H PHE A 25 -3.014 1.375 8.745 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.539 3.577 7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.931 3.347 9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.687 2.187 9.110 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.717 5.595 7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.457 3.037 9.151 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.115 7.429 7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.061 4.870 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.278 7.070 8.051 1.00 0.00 H new ATOM 331 N MET A 26 -0.514 1.047 6.502 1.00 0.00 N ATOM 332 CA MET A 26 0.427 0.515 5.523 1.00 0.00 C ATOM 333 C MET A 26 -0.122 0.660 4.107 1.00 0.00 C ATOM 334 O MET A 26 0.584 1.099 3.198 1.00 0.00 O ATOM 335 CB MET A 26 0.727 -0.956 5.818 1.00 0.00 C ATOM 336 CG MET A 26 1.426 -1.178 7.150 1.00 0.00 C ATOM 337 SD MET A 26 2.576 -2.565 7.108 1.00 0.00 S ATOM 338 CE MET A 26 3.687 -2.125 8.441 1.00 0.00 C ATOM 0 H MET A 26 -0.740 0.405 7.262 1.00 0.00 H new ATOM 0 HA MET A 26 1.351 1.088 5.596 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.207 -1.518 5.809 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.349 -1.359 5.019 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.965 -0.272 7.428 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.678 -1.354 7.923 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.457 -2.890 8.540 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.155 -1.165 8.223 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.126 -2.052 9.373 1.00 0.00 H new ATOM 348 N LEU A 27 -1.385 0.288 3.926 1.00 0.00 N ATOM 349 CA LEU A 27 -2.029 0.376 2.620 1.00 0.00 C ATOM 350 C LEU A 27 -2.145 1.828 2.167 1.00 0.00 C ATOM 351 O LEU A 27 -2.159 2.117 0.970 1.00 0.00 O ATOM 352 CB LEU A 27 -3.415 -0.268 2.669 1.00 0.00 C ATOM 353 CG LEU A 27 -3.980 -0.747 1.331 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.165 -1.913 0.794 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.443 -1.140 1.480 1.00 0.00 C ATOM 0 H LEU A 27 -1.983 -0.077 4.667 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.411 -0.161 1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.374 -1.119 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.113 0.451 3.099 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.916 0.074 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.582 -2.240 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.132 -1.598 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.196 -2.738 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.829 -1.478 0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.531 -1.945 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.018 -0.279 1.819 1.00 0.00 H new ATOM 367 N PHE A 28 -2.227 2.738 3.132 1.00 0.00 N ATOM 368 CA PHE A 28 -2.341 4.161 2.832 1.00 0.00 C ATOM 369 C PHE A 28 -0.994 4.736 2.405 1.00 0.00 C ATOM 370 O PHE A 28 -0.845 5.231 1.288 1.00 0.00 O ATOM 371 CB PHE A 28 -2.868 4.920 4.052 1.00 0.00 C ATOM 372 CG PHE A 28 -2.742 6.412 3.930 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.598 7.062 4.364 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.769 7.164 3.382 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.479 8.434 4.253 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.655 8.537 3.268 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.510 9.173 3.705 1.00 0.00 C ATOM 0 H PHE A 28 -2.217 2.516 4.127 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.044 4.278 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.916 4.663 4.205 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.326 4.589 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.790 6.489 4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.668 6.672 3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.581 8.928 4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.461 9.112 2.837 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.420 10.246 3.619 1.00 0.00 H new ATOM 387 N ALA A 29 -0.016 4.668 3.302 1.00 0.00 N ATOM 388 CA ALA A 29 1.319 5.180 3.018 1.00 0.00 C ATOM 389 C ALA A 29 1.898 4.538 1.762 1.00 0.00 C ATOM 390 O ALA A 29 2.757 5.116 1.096 1.00 0.00 O ATOM 391 CB ALA A 29 2.239 4.944 4.207 1.00 0.00 C ATOM 0 H ALA A 29 -0.123 4.263 4.232 1.00 0.00 H new ATOM 0 HA ALA A 29 1.240 6.253 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.232 5.331 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.840 5.456 5.083 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.304 3.875 4.410 1.00 0.00 H new ATOM 397 N LYS A 30 1.423 3.338 1.444 1.00 0.00 N ATOM 398 CA LYS A 30 1.892 2.616 0.268 1.00 0.00 C ATOM 399 C LYS A 30 1.317 3.222 -1.008 1.00 0.00 C ATOM 400 O LYS A 30 2.057 3.624 -1.906 1.00 0.00 O ATOM 401 CB LYS A 30 1.505 1.138 0.363 1.00 0.00 C ATOM 402 CG LYS A 30 2.041 0.295 -0.780 1.00 0.00 C ATOM 403 CD LYS A 30 1.608 -1.156 -0.653 1.00 0.00 C ATOM 404 CE LYS A 30 2.133 -1.998 -1.806 1.00 0.00 C ATOM 405 NZ LYS A 30 3.534 -2.446 -1.573 1.00 0.00 N ATOM 0 H LYS A 30 0.713 2.845 1.985 1.00 0.00 H new ATOM 0 HA LYS A 30 2.978 2.699 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.874 0.734 1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.418 1.056 0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.688 0.699 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.129 0.351 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.970 -1.564 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.520 -1.211 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.491 -2.869 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.085 -1.420 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.855 -3.017 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.151 -1.615 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.576 -3.019 -0.706 1.00 0.00 H new ATOM 419 N LYS A 31 -0.008 3.286 -1.082 1.00 0.00 N ATOM 420 CA LYS A 31 -0.684 3.846 -2.246 1.00 0.00 C ATOM 421 C LYS A 31 -0.214 5.272 -2.515 1.00 0.00 C ATOM 422 O LYS A 31 -0.266 5.750 -3.648 1.00 0.00 O ATOM 423 CB LYS A 31 -2.200 3.827 -2.040 1.00 0.00 C ATOM 424 CG LYS A 31 -2.971 4.559 -3.125 1.00 0.00 C ATOM 425 CD LYS A 31 -4.469 4.505 -2.878 1.00 0.00 C ATOM 426 CE LYS A 31 -5.037 3.130 -3.194 1.00 0.00 C ATOM 427 NZ LYS A 31 -5.403 2.998 -4.632 1.00 0.00 N ATOM 0 H LYS A 31 -0.636 2.956 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.434 3.231 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.540 2.792 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.433 4.276 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.645 5.598 -3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.745 4.116 -4.095 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.676 4.755 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.967 5.255 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.304 2.366 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.918 2.950 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.786 2.047 -4.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.121 3.710 -4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.558 3.144 -5.220 1.00 0.00 H new ATOM 441 N TYR A 32 0.244 5.946 -1.466 1.00 0.00 N ATOM 442 CA TYR A 32 0.722 7.318 -1.589 1.00 0.00 C ATOM 443 C TYR A 32 2.240 7.381 -1.443 1.00 0.00 C ATOM 444 O TYR A 32 2.821 8.463 -1.351 1.00 0.00 O ATOM 445 CB TYR A 32 0.060 8.207 -0.535 1.00 0.00 C ATOM 446 CG TYR A 32 -1.386 8.529 -0.837 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.409 7.697 -0.397 1.00 0.00 C ATOM 448 CD2 TYR A 32 -1.730 9.663 -1.562 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.732 7.986 -0.671 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.050 9.960 -1.839 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.048 9.119 -1.392 1.00 0.00 C ATOM 452 OH TYR A 32 -5.364 9.411 -1.667 1.00 0.00 O ATOM 0 H TYR A 32 0.294 5.565 -0.521 1.00 0.00 H new ATOM 0 HA TYR A 32 0.455 7.682 -2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.119 7.712 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.621 9.138 -0.452 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.166 6.810 0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.952 10.324 -1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.515 7.328 -0.323 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.300 10.847 -2.403 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.414 10.243 -2.182 1.00 0.00 H new ATOM 462 N ARG A 33 2.875 6.214 -1.422 1.00 0.00 N ATOM 463 CA ARG A 33 4.324 6.135 -1.287 1.00 0.00 C ATOM 464 C ARG A 33 5.018 6.860 -2.436 1.00 0.00 C ATOM 465 O ARG A 33 5.694 7.869 -2.231 1.00 0.00 O ATOM 466 CB ARG A 33 4.775 4.674 -1.246 1.00 0.00 C ATOM 467 CG ARG A 33 6.081 4.461 -0.498 1.00 0.00 C ATOM 468 CD ARG A 33 7.283 4.655 -1.409 1.00 0.00 C ATOM 469 NE ARG A 33 8.538 4.328 -0.738 1.00 0.00 N ATOM 470 CZ ARG A 33 8.966 3.086 -0.544 1.00 0.00 C ATOM 471 NH1 ARG A 33 8.244 2.059 -0.970 1.00 0.00 N ATOM 472 NH2 ARG A 33 10.119 2.869 0.075 1.00 0.00 N ATOM 0 H ARG A 33 2.408 5.310 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 33 4.603 6.621 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.995 4.075 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.887 4.308 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.141 5.158 0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.101 3.456 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.172 4.029 -2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.314 5.689 -1.752 1.00 0.00 H new ATOM 0 HE ARG A 33 9.118 5.096 -0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.358 2.222 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.575 1.106 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.678 3.657 0.403 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.446 1.914 0.223 1.00 0.00 H new ATOM 486 N VAL A 34 4.846 6.340 -3.647 1.00 0.00 N ATOM 487 CA VAL A 34 5.455 6.937 -4.830 1.00 0.00 C ATOM 488 C VAL A 34 4.832 8.293 -5.143 1.00 0.00 C ATOM 489 O VAL A 34 5.503 9.193 -5.647 1.00 0.00 O ATOM 490 CB VAL A 34 5.308 6.022 -6.060 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.841 5.823 -6.406 1.00 0.00 C ATOM 492 CG2 VAL A 34 6.071 6.596 -7.244 1.00 0.00 C ATOM 0 H VAL A 34 4.290 5.506 -3.835 1.00 0.00 H new ATOM 0 HA VAL A 34 6.514 7.068 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 34 5.734 5.048 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.758 5.174 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.327 5.364 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.385 6.788 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.957 5.937 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.677 7.583 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.128 6.680 -6.990 1.00 0.00 H new ATOM 502 N GLU A 35 3.545 8.432 -4.839 1.00 0.00 N ATOM 503 CA GLU A 35 2.832 9.679 -5.089 1.00 0.00 C ATOM 504 C GLU A 35 3.515 10.847 -4.382 1.00 0.00 C ATOM 505 O GLU A 35 3.417 11.994 -4.819 1.00 0.00 O ATOM 506 CB GLU A 35 1.380 9.564 -4.621 1.00 0.00 C ATOM 507 CG GLU A 35 0.683 8.304 -5.104 1.00 0.00 C ATOM 508 CD GLU A 35 0.970 8.000 -6.561 1.00 0.00 C ATOM 509 OE1 GLU A 35 1.083 8.956 -7.356 1.00 0.00 O ATOM 510 OE2 GLU A 35 1.082 6.805 -6.906 1.00 0.00 O ATOM 0 H GLU A 35 2.976 7.697 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 35 2.846 9.868 -6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.355 9.588 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.824 10.434 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.001 7.460 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.393 8.412 -4.964 1.00 0.00 H new ATOM 517 N TYR A 36 4.206 10.546 -3.288 1.00 0.00 N ATOM 518 CA TYR A 36 4.902 11.570 -2.519 1.00 0.00 C ATOM 519 C TYR A 36 6.350 11.708 -2.981 1.00 0.00 C ATOM 520 O TYR A 36 6.941 12.785 -2.898 1.00 0.00 O ATOM 521 CB TYR A 36 4.862 11.233 -1.027 1.00 0.00 C ATOM 522 CG TYR A 36 3.580 11.657 -0.345 1.00 0.00 C ATOM 523 CD1 TYR A 36 2.343 11.281 -0.853 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.607 12.435 0.806 1.00 0.00 C ATOM 525 CE1 TYR A 36 1.170 11.666 -0.234 1.00 0.00 C ATOM 526 CE2 TYR A 36 2.439 12.824 1.432 1.00 0.00 C ATOM 527 CZ TYR A 36 1.223 12.437 0.909 1.00 0.00 C ATOM 528 OH TYR A 36 0.057 12.824 1.529 1.00 0.00 O ATOM 0 H TYR A 36 4.299 9.602 -2.914 1.00 0.00 H new ATOM 0 HA TYR A 36 4.394 12.520 -2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.992 10.158 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.704 11.716 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.298 10.677 -1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.557 12.741 1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.216 11.365 -0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.478 13.428 2.326 1.00 0.00 H new ATOM 0 HH TYR A 36 0.042 12.475 2.445 1.00 0.00 H new ATOM 538 N THR A 37 6.916 10.609 -3.469 1.00 0.00 N ATOM 539 CA THR A 37 8.293 10.605 -3.944 1.00 0.00 C ATOM 540 C THR A 37 8.473 11.563 -5.117 1.00 0.00 C ATOM 541 O THR A 37 9.504 12.225 -5.236 1.00 0.00 O ATOM 542 CB THR A 37 8.735 9.194 -4.377 1.00 0.00 C ATOM 543 OG1 THR A 37 8.182 8.215 -3.490 1.00 0.00 O ATOM 544 CG2 THR A 37 10.252 9.080 -4.384 1.00 0.00 C ATOM 0 H THR A 37 6.441 9.710 -3.546 1.00 0.00 H new ATOM 0 HA THR A 37 8.915 10.933 -3.111 1.00 0.00 H new ATOM 0 HB THR A 37 8.369 9.016 -5.388 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.589 7.342 -3.671 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.540 8.075 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.668 9.807 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.636 9.276 -3.383 1.00 0.00 H new ATOM 552 N GLN A 38 7.464 11.632 -5.978 1.00 0.00 N ATOM 553 CA GLN A 38 7.512 12.510 -7.141 1.00 0.00 C ATOM 554 C GLN A 38 6.994 13.902 -6.794 1.00 0.00 C ATOM 555 O GLN A 38 7.391 14.893 -7.407 1.00 0.00 O ATOM 556 CB GLN A 38 6.689 11.918 -8.288 1.00 0.00 C ATOM 557 CG GLN A 38 7.291 10.653 -8.878 1.00 0.00 C ATOM 558 CD GLN A 38 6.814 10.385 -10.291 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.345 10.938 -11.254 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.806 9.530 -10.424 1.00 0.00 N ATOM 0 H GLN A 38 6.604 11.091 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 38 8.552 12.597 -7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.684 11.698 -7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.589 12.665 -9.076 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.378 10.737 -8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.035 9.804 -8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.395 9.094 -9.599 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.443 9.310 -11.351 1.00 0.00 H new ATOM 569 N MET A 39 6.105 13.969 -5.809 1.00 0.00 N ATOM 570 CA MET A 39 5.534 15.240 -5.380 1.00 0.00 C ATOM 571 C MET A 39 6.546 16.046 -4.573 1.00 0.00 C ATOM 572 O MET A 39 6.577 17.275 -4.647 1.00 0.00 O ATOM 573 CB MET A 39 4.273 15.002 -4.547 1.00 0.00 C ATOM 574 CG MET A 39 2.998 14.961 -5.373 1.00 0.00 C ATOM 575 SD MET A 39 1.518 15.234 -4.380 1.00 0.00 S ATOM 576 CE MET A 39 1.581 13.820 -3.282 1.00 0.00 C ATOM 0 H MET A 39 5.764 13.158 -5.293 1.00 0.00 H new ATOM 0 HA MET A 39 5.270 15.810 -6.271 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.377 14.061 -4.007 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.187 15.791 -3.800 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.051 15.719 -6.154 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.923 13.994 -5.871 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.779 13.894 -2.547 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.460 12.904 -3.861 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.543 13.800 -2.769 1.00 0.00 H new ATOM 586 N TYR A 40 7.372 15.348 -3.802 1.00 0.00 N ATOM 587 CA TYR A 40 8.384 15.999 -2.978 1.00 0.00 C ATOM 588 C TYR A 40 9.745 15.334 -3.159 1.00 0.00 C ATOM 589 O TYR A 40 10.254 14.651 -2.270 1.00 0.00 O ATOM 590 CB TYR A 40 7.976 15.959 -1.505 1.00 0.00 C ATOM 591 CG TYR A 40 6.622 16.574 -1.234 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.453 15.858 -1.463 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.511 17.872 -0.751 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.214 16.417 -1.218 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.276 18.438 -0.501 1.00 0.00 C ATOM 596 CZ TYR A 40 4.130 17.707 -0.737 1.00 0.00 C ATOM 597 OH TYR A 40 2.898 18.268 -0.491 1.00 0.00 O ATOM 0 H TYR A 40 7.361 14.331 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 40 8.462 17.038 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.969 14.923 -1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.728 16.482 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.514 14.847 -1.839 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.406 18.448 -0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.315 15.847 -1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.208 19.447 -0.123 1.00 0.00 H new ATOM 0 HH TYR A 40 3.016 19.181 -0.155 1.00 0.00 H new ATOM 607 N PRO A 41 10.349 15.537 -4.339 1.00 0.00 N ATOM 608 CA PRO A 41 11.660 14.967 -4.666 1.00 0.00 C ATOM 609 C PRO A 41 12.788 15.611 -3.867 1.00 0.00 C ATOM 610 O PRO A 41 13.886 15.064 -3.773 1.00 0.00 O ATOM 611 CB PRO A 41 11.819 15.275 -6.157 1.00 0.00 C ATOM 612 CG PRO A 41 10.962 16.471 -6.391 1.00 0.00 C ATOM 613 CD PRO A 41 9.800 16.340 -5.445 1.00 0.00 C ATOM 0 HA PRO A 41 11.713 13.905 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.860 15.478 -6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.500 14.433 -6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.516 17.391 -6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.621 16.510 -7.425 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.451 17.313 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.951 15.846 -5.917 1.00 0.00 H new ATOM 621 N GLY A 42 12.508 16.776 -3.290 1.00 0.00 N ATOM 622 CA GLY A 42 13.510 17.475 -2.506 1.00 0.00 C ATOM 623 C GLY A 42 13.514 17.042 -1.053 1.00 0.00 C ATOM 624 O GLY A 42 14.498 17.240 -0.341 1.00 0.00 O ATOM 0 H GLY A 42 11.606 17.248 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.495 17.296 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.327 18.548 -2.562 1.00 0.00 H new ATOM 628 N LYS A 43 12.409 16.450 -0.611 1.00 0.00 N ATOM 629 CA LYS A 43 12.288 15.988 0.767 1.00 0.00 C ATOM 630 C LYS A 43 12.796 14.556 0.907 1.00 0.00 C ATOM 631 O LYS A 43 12.781 13.785 -0.053 1.00 0.00 O ATOM 632 CB LYS A 43 10.831 16.070 1.227 1.00 0.00 C ATOM 633 CG LYS A 43 10.320 17.493 1.378 1.00 0.00 C ATOM 634 CD LYS A 43 8.967 17.530 2.067 1.00 0.00 C ATOM 635 CE LYS A 43 8.394 18.938 2.096 1.00 0.00 C ATOM 636 NZ LYS A 43 8.993 19.758 3.185 1.00 0.00 N ATOM 0 H LYS A 43 11.585 16.279 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 43 12.899 16.635 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.202 15.541 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.730 15.554 2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.038 18.079 1.952 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.242 17.958 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.276 16.865 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.066 17.155 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.573 19.423 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.314 18.888 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.576 20.711 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.801 19.309 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.021 19.828 3.042 1.00 0.00 H new ATOM 650 N ASP A 44 13.243 14.207 2.108 1.00 0.00 N ATOM 651 CA ASP A 44 13.753 12.867 2.375 1.00 0.00 C ATOM 652 C ASP A 44 12.621 11.922 2.764 1.00 0.00 C ATOM 653 O ASP A 44 11.548 12.360 3.178 1.00 0.00 O ATOM 654 CB ASP A 44 14.803 12.910 3.486 1.00 0.00 C ATOM 655 CG ASP A 44 16.204 13.133 2.951 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.541 14.293 2.637 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.963 12.146 2.845 1.00 0.00 O ATOM 0 H ASP A 44 13.263 14.834 2.913 1.00 0.00 H new ATOM 0 HA ASP A 44 14.216 12.493 1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.554 13.707 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.775 11.974 4.044 1.00 0.00 H new ATOM 662 N ASN A 45 12.868 10.623 2.627 1.00 0.00 N ATOM 663 CA ASN A 45 11.868 9.616 2.963 1.00 0.00 C ATOM 664 C ASN A 45 11.329 9.834 4.373 1.00 0.00 C ATOM 665 O ASN A 45 10.154 9.586 4.645 1.00 0.00 O ATOM 666 CB ASN A 45 12.467 8.213 2.845 1.00 0.00 C ATOM 667 CG ASN A 45 13.827 8.108 3.508 1.00 0.00 C ATOM 668 OD1 ASN A 45 13.925 7.935 4.724 1.00 0.00 O ATOM 669 ND2 ASN A 45 14.884 8.211 2.711 1.00 0.00 N ATOM 0 H ASN A 45 13.751 10.243 2.286 1.00 0.00 H new ATOM 0 HA ASN A 45 11.042 9.711 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.788 7.491 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.558 7.947 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.825 8.147 3.100 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.755 8.354 1.709 1.00 0.00 H new ATOM 676 N ARG A 46 12.195 10.299 5.267 1.00 0.00 N ATOM 677 CA ARG A 46 11.807 10.550 6.650 1.00 0.00 C ATOM 678 C ARG A 46 10.677 11.573 6.720 1.00 0.00 C ATOM 679 O ARG A 46 9.805 11.491 7.584 1.00 0.00 O ATOM 680 CB ARG A 46 13.008 11.043 7.458 1.00 0.00 C ATOM 681 CG ARG A 46 12.787 11.009 8.961 1.00 0.00 C ATOM 682 CD ARG A 46 13.169 9.660 9.549 1.00 0.00 C ATOM 683 NE ARG A 46 12.880 9.584 10.979 1.00 0.00 N ATOM 684 CZ ARG A 46 13.053 8.486 11.707 1.00 0.00 C ATOM 685 NH1 ARG A 46 13.511 7.378 11.142 1.00 0.00 N ATOM 686 NH2 ARG A 46 12.767 8.496 13.002 1.00 0.00 N ATOM 0 H ARG A 46 13.171 10.510 5.058 1.00 0.00 H new ATOM 0 HA ARG A 46 11.452 9.612 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.876 10.431 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.243 12.064 7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.377 11.794 9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.740 11.220 9.181 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.627 8.871 9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.231 9.480 9.384 1.00 0.00 H new ATOM 0 HE ARG A 46 12.526 10.420 11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.732 7.367 10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.643 6.536 11.703 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.414 9.347 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.900 7.653 13.560 1.00 0.00 H new ATOM 700 N ALA A 47 10.701 12.537 5.805 1.00 0.00 N ATOM 701 CA ALA A 47 9.679 13.575 5.762 1.00 0.00 C ATOM 702 C ALA A 47 8.419 13.077 5.063 1.00 0.00 C ATOM 703 O ALA A 47 7.303 13.395 5.473 1.00 0.00 O ATOM 704 CB ALA A 47 10.216 14.816 5.065 1.00 0.00 C ATOM 0 H ALA A 47 11.417 12.620 5.084 1.00 0.00 H new ATOM 0 HA ALA A 47 9.416 13.833 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.442 15.583 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.082 15.192 5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.509 14.563 4.046 1.00 0.00 H new ATOM 710 N ILE A 48 8.605 12.295 4.005 1.00 0.00 N ATOM 711 CA ILE A 48 7.483 11.753 3.249 1.00 0.00 C ATOM 712 C ILE A 48 6.486 11.057 4.169 1.00 0.00 C ATOM 713 O ILE A 48 5.286 11.325 4.117 1.00 0.00 O ATOM 714 CB ILE A 48 7.957 10.755 2.175 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.951 11.428 1.227 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.768 10.205 1.402 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.350 12.559 0.423 1.00 0.00 C ATOM 0 H ILE A 48 9.522 12.023 3.652 1.00 0.00 H new ATOM 0 HA ILE A 48 6.995 12.596 2.760 1.00 0.00 H new ATOM 0 HB ILE A 48 8.460 9.924 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.791 11.812 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.351 10.680 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.119 9.501 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.093 9.694 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.239 11.025 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.112 12.989 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.529 12.178 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.975 13.327 1.099 1.00 0.00 H new ATOM 729 N SER A 49 6.992 10.162 5.012 1.00 0.00 N ATOM 730 CA SER A 49 6.145 9.425 5.943 1.00 0.00 C ATOM 731 C SER A 49 5.434 10.377 6.901 1.00 0.00 C ATOM 732 O SER A 49 4.233 10.252 7.141 1.00 0.00 O ATOM 733 CB SER A 49 6.979 8.416 6.734 1.00 0.00 C ATOM 734 OG SER A 49 7.649 7.517 5.867 1.00 0.00 O ATOM 0 H SER A 49 7.984 9.930 5.069 1.00 0.00 H new ATOM 0 HA SER A 49 5.392 8.890 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.708 8.944 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.334 7.859 7.413 1.00 0.00 H new ATOM 0 HG SER A 49 8.176 6.883 6.397 1.00 0.00 H new ATOM 740 N VAL A 50 6.186 11.328 7.445 1.00 0.00 N ATOM 741 CA VAL A 50 5.630 12.303 8.376 1.00 0.00 C ATOM 742 C VAL A 50 4.447 13.040 7.758 1.00 0.00 C ATOM 743 O VAL A 50 3.412 13.222 8.400 1.00 0.00 O ATOM 744 CB VAL A 50 6.690 13.331 8.813 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.085 14.351 9.765 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.878 12.630 9.456 1.00 0.00 C ATOM 0 H VAL A 50 7.182 11.444 7.257 1.00 0.00 H new ATOM 0 HA VAL A 50 5.292 11.748 9.251 1.00 0.00 H new ATOM 0 HB VAL A 50 7.044 13.860 7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.849 15.069 10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.269 14.875 9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.702 13.841 10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.618 13.371 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.542 12.074 10.331 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.326 11.942 8.739 1.00 0.00 H new ATOM 756 N ILE A 51 4.608 13.462 6.509 1.00 0.00 N ATOM 757 CA ILE A 51 3.553 14.179 5.803 1.00 0.00 C ATOM 758 C ILE A 51 2.391 13.251 5.463 1.00 0.00 C ATOM 759 O ILE A 51 1.243 13.687 5.366 1.00 0.00 O ATOM 760 CB ILE A 51 4.078 14.821 4.506 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.256 15.749 4.811 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.965 15.583 3.803 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.034 16.163 3.582 1.00 0.00 C ATOM 0 H ILE A 51 5.459 13.320 5.965 1.00 0.00 H new ATOM 0 HA ILE A 51 3.204 14.966 6.472 1.00 0.00 H new ATOM 0 HB ILE A 51 4.425 14.030 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.884 16.642 5.313 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.930 15.250 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.352 16.031 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.154 14.898 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.590 16.367 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.853 16.820 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.436 15.277 3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.374 16.691 2.894 1.00 0.00 H new ATOM 775 N LEU A 52 2.696 11.971 5.286 1.00 0.00 N ATOM 776 CA LEU A 52 1.676 10.980 4.959 1.00 0.00 C ATOM 777 C LEU A 52 0.785 10.697 6.164 1.00 0.00 C ATOM 778 O LEU A 52 -0.441 10.702 6.057 1.00 0.00 O ATOM 779 CB LEU A 52 2.332 9.683 4.481 1.00 0.00 C ATOM 780 CG LEU A 52 2.806 9.667 3.027 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.878 8.608 2.826 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.634 9.427 2.087 1.00 0.00 C ATOM 0 H LEU A 52 3.641 11.594 5.363 1.00 0.00 H new ATOM 0 HA LEU A 52 1.056 11.384 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.187 9.474 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.622 8.868 4.620 1.00 0.00 H new ATOM 0 HG LEU A 52 3.239 10.640 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.203 8.612 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.729 8.824 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.472 7.628 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.990 9.419 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.172 8.467 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.899 10.223 2.211 1.00 0.00 H new ATOM 794 N GLY A 53 1.410 10.454 7.312 1.00 0.00 N ATOM 795 CA GLY A 53 0.658 10.175 8.522 1.00 0.00 C ATOM 796 C GLY A 53 -0.333 11.273 8.855 1.00 0.00 C ATOM 797 O GLY A 53 -1.459 10.998 9.267 1.00 0.00 O ATOM 0 H GLY A 53 2.424 10.445 7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.125 9.232 8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.350 10.049 9.355 1.00 0.00 H new ATOM 801 N ASP A 54 0.088 12.520 8.677 1.00 0.00 N ATOM 802 CA ASP A 54 -0.770 13.665 8.962 1.00 0.00 C ATOM 803 C ASP A 54 -2.099 13.544 8.223 1.00 0.00 C ATOM 804 O ASP A 54 -3.167 13.670 8.822 1.00 0.00 O ATOM 805 CB ASP A 54 -0.069 14.966 8.568 1.00 0.00 C ATOM 806 CG ASP A 54 -0.613 16.166 9.316 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.828 16.184 9.607 1.00 0.00 O ATOM 808 OD2 ASP A 54 0.175 17.088 9.612 1.00 0.00 O ATOM 0 H ASP A 54 1.018 12.764 8.337 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.970 13.680 10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.999 14.873 8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.184 15.127 7.496 1.00 0.00 H new ATOM 813 N ARG A 55 -2.026 13.301 6.919 1.00 0.00 N ATOM 814 CA ARG A 55 -3.223 13.166 6.098 1.00 0.00 C ATOM 815 C ARG A 55 -4.145 12.085 6.655 1.00 0.00 C ATOM 816 O ARG A 55 -5.366 12.244 6.671 1.00 0.00 O ATOM 817 CB ARG A 55 -2.842 12.832 4.654 1.00 0.00 C ATOM 818 CG ARG A 55 -2.194 13.990 3.913 1.00 0.00 C ATOM 819 CD ARG A 55 -2.827 14.201 2.546 1.00 0.00 C ATOM 820 NE ARG A 55 -2.055 15.126 1.722 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.220 15.255 0.410 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.125 14.522 -0.223 1.00 0.00 N ATOM 823 NH2 ARG A 55 -1.478 16.119 -0.271 1.00 0.00 N ATOM 0 H ARG A 55 -1.150 13.193 6.408 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.755 14.117 6.116 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.158 11.983 4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.736 12.520 4.114 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.290 14.901 4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.128 13.797 3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.911 13.243 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.839 14.585 2.671 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.350 15.705 2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.697 13.857 0.297 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.249 14.623 -1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.780 16.685 0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.605 16.218 -1.278 1.00 0.00 H new ATOM 837 N TRP A 56 -3.553 10.987 7.109 1.00 0.00 N ATOM 838 CA TRP A 56 -4.321 9.879 7.667 1.00 0.00 C ATOM 839 C TRP A 56 -5.091 10.320 8.907 1.00 0.00 C ATOM 840 O TRP A 56 -6.128 9.748 9.242 1.00 0.00 O ATOM 841 CB TRP A 56 -3.395 8.712 8.014 1.00 0.00 C ATOM 842 CG TRP A 56 -4.085 7.606 8.754 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.270 7.514 10.104 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.679 6.435 8.185 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.943 6.356 10.408 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.206 5.677 9.248 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.819 5.953 6.880 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.860 4.464 9.045 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.468 4.750 6.680 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.983 4.017 7.758 1.00 0.00 C ATOM 0 H TRP A 56 -2.544 10.839 7.102 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.038 9.552 6.914 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.966 8.312 7.095 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.567 9.082 8.618 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.936 8.244 10.826 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.205 6.051 11.346 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.427 6.511 6.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.256 3.897 9.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.580 4.368 5.676 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.487 3.081 7.569 1.00 0.00 H new ATOM 861 N LYS A 57 -4.577 11.341 9.585 1.00 0.00 N ATOM 862 CA LYS A 57 -5.216 11.860 10.788 1.00 0.00 C ATOM 863 C LYS A 57 -6.383 12.775 10.432 1.00 0.00 C ATOM 864 O LYS A 57 -7.398 12.805 11.130 1.00 0.00 O ATOM 865 CB LYS A 57 -4.200 12.621 11.643 1.00 0.00 C ATOM 866 CG LYS A 57 -2.874 11.897 11.800 1.00 0.00 C ATOM 867 CD LYS A 57 -2.274 12.125 13.177 1.00 0.00 C ATOM 868 CE LYS A 57 -1.984 13.598 13.421 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.952 14.123 12.485 1.00 0.00 N ATOM 0 H LYS A 57 -3.719 11.825 9.321 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.600 11.014 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.020 13.598 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.628 12.797 12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.020 10.829 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.177 12.243 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.960 11.757 13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.353 11.551 13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.903 14.173 13.307 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.647 13.736 14.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.255 14.684 13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.472 13.328 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.407 14.724 11.768 1.00 0.00 H new ATOM 883 N LYS A 58 -6.234 13.519 9.341 1.00 0.00 N ATOM 884 CA LYS A 58 -7.277 14.434 8.890 1.00 0.00 C ATOM 885 C LYS A 58 -8.466 13.666 8.323 1.00 0.00 C ATOM 886 O LYS A 58 -9.614 14.085 8.468 1.00 0.00 O ATOM 887 CB LYS A 58 -6.722 15.390 7.832 1.00 0.00 C ATOM 888 CG LYS A 58 -6.851 16.856 8.210 1.00 0.00 C ATOM 889 CD LYS A 58 -6.407 17.765 7.076 1.00 0.00 C ATOM 890 CE LYS A 58 -5.978 19.130 7.591 1.00 0.00 C ATOM 891 NZ LYS A 58 -7.144 19.954 8.016 1.00 0.00 N ATOM 0 H LYS A 58 -5.401 13.506 8.752 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.617 15.011 9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.671 15.159 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.243 15.219 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.886 17.076 8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.250 17.058 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.580 17.301 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.223 17.884 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.297 19.003 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.427 19.656 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.810 20.877 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.782 20.097 7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.656 19.465 8.778 1.00 0.00 H new ATOM 905 N MET A 59 -8.183 12.539 7.678 1.00 0.00 N ATOM 906 CA MET A 59 -9.231 11.711 7.091 1.00 0.00 C ATOM 907 C MET A 59 -10.311 11.391 8.119 1.00 0.00 C ATOM 908 O MET A 59 -10.118 11.586 9.320 1.00 0.00 O ATOM 909 CB MET A 59 -8.637 10.414 6.538 1.00 0.00 C ATOM 910 CG MET A 59 -8.183 10.522 5.092 1.00 0.00 C ATOM 911 SD MET A 59 -7.954 8.911 4.314 1.00 0.00 S ATOM 912 CE MET A 59 -6.693 8.202 5.369 1.00 0.00 C ATOM 0 H MET A 59 -7.238 12.178 7.548 1.00 0.00 H new ATOM 0 HA MET A 59 -9.686 12.271 6.274 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.788 10.120 7.156 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.380 9.620 6.619 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.919 11.093 4.526 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.246 11.078 5.050 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.545 7.155 5.105 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.758 8.746 5.235 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.008 8.273 6.410 1.00 0.00 H new ATOM 922 N LYS A 60 -11.449 10.899 7.642 1.00 0.00 N ATOM 923 CA LYS A 60 -12.561 10.551 8.519 1.00 0.00 C ATOM 924 C LYS A 60 -12.583 9.052 8.800 1.00 0.00 C ATOM 925 O LYS A 60 -11.673 8.324 8.408 1.00 0.00 O ATOM 926 CB LYS A 60 -13.888 10.983 7.892 1.00 0.00 C ATOM 927 CG LYS A 60 -13.943 12.461 7.543 1.00 0.00 C ATOM 928 CD LYS A 60 -14.656 13.261 8.620 1.00 0.00 C ATOM 929 CE LYS A 60 -13.668 13.910 9.578 1.00 0.00 C ATOM 930 NZ LYS A 60 -13.234 15.253 9.101 1.00 0.00 N ATOM 0 H LYS A 60 -11.626 10.732 6.651 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.425 11.078 9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.061 10.398 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.699 10.751 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.930 12.844 7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.457 12.592 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.273 14.030 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.328 12.607 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.126 14.005 10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.796 13.266 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.562 15.662 9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.775 15.160 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.063 15.876 9.016 1.00 0.00 H new ATOM 944 N ASN A 61 -13.631 8.598 9.481 1.00 0.00 N ATOM 945 CA ASN A 61 -13.772 7.185 9.813 1.00 0.00 C ATOM 946 C ASN A 61 -13.954 6.345 8.553 1.00 0.00 C ATOM 947 O ASN A 61 -13.218 5.386 8.323 1.00 0.00 O ATOM 948 CB ASN A 61 -14.961 6.977 10.754 1.00 0.00 C ATOM 949 CG ASN A 61 -15.081 5.541 11.226 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.093 4.808 11.277 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.295 5.132 11.573 1.00 0.00 N ATOM 0 H ASN A 61 -14.394 9.188 9.813 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.859 6.863 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.856 7.633 11.618 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.880 7.267 10.244 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.438 4.176 11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.085 5.774 11.515 1.00 0.00 H new ATOM 958 N GLU A 62 -14.938 6.714 7.739 1.00 0.00 N ATOM 959 CA GLU A 62 -15.216 5.994 6.502 1.00 0.00 C ATOM 960 C GLU A 62 -14.030 6.079 5.545 1.00 0.00 C ATOM 961 O GLU A 62 -13.726 5.124 4.831 1.00 0.00 O ATOM 962 CB GLU A 62 -16.470 6.557 5.829 1.00 0.00 C ATOM 963 CG GLU A 62 -17.634 6.759 6.783 1.00 0.00 C ATOM 964 CD GLU A 62 -18.976 6.756 6.076 1.00 0.00 C ATOM 965 OE1 GLU A 62 -19.003 7.023 4.856 1.00 0.00 O ATOM 966 OE2 GLU A 62 -19.997 6.488 6.742 1.00 0.00 O ATOM 0 H GLU A 62 -15.556 7.507 7.914 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.385 4.946 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.224 7.511 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.778 5.881 5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.623 5.971 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.507 7.705 7.310 1.00 0.00 H new ATOM 973 N GLU A 63 -13.365 7.230 5.536 1.00 0.00 N ATOM 974 CA GLU A 63 -12.214 7.440 4.666 1.00 0.00 C ATOM 975 C GLU A 63 -11.128 6.404 4.941 1.00 0.00 C ATOM 976 O GLU A 63 -10.289 6.127 4.084 1.00 0.00 O ATOM 977 CB GLU A 63 -11.650 8.849 4.861 1.00 0.00 C ATOM 978 CG GLU A 63 -12.633 9.953 4.508 1.00 0.00 C ATOM 979 CD GLU A 63 -12.885 10.054 3.016 1.00 0.00 C ATOM 980 OE1 GLU A 63 -12.268 9.278 2.257 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.699 10.908 2.608 1.00 0.00 O ATOM 0 H GLU A 63 -13.603 8.031 6.121 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.546 7.328 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.342 8.967 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.755 8.961 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.577 9.771 5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.250 10.906 4.873 1.00 0.00 H new ATOM 988 N ARG A 64 -11.152 5.834 6.141 1.00 0.00 N ATOM 989 CA ARG A 64 -10.169 4.830 6.530 1.00 0.00 C ATOM 990 C ARG A 64 -10.709 3.422 6.295 1.00 0.00 C ATOM 991 O ARG A 64 -9.943 2.476 6.108 1.00 0.00 O ATOM 992 CB ARG A 64 -9.787 5.002 8.001 1.00 0.00 C ATOM 993 CG ARG A 64 -8.791 6.124 8.245 1.00 0.00 C ATOM 994 CD ARG A 64 -8.622 6.406 9.729 1.00 0.00 C ATOM 995 NE ARG A 64 -8.441 5.180 10.502 1.00 0.00 N ATOM 996 CZ ARG A 64 -8.524 5.127 11.827 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.785 6.226 12.522 1.00 0.00 N ATOM 998 NH2 ARG A 64 -8.348 3.974 12.459 1.00 0.00 N ATOM 0 H ARG A 64 -11.841 6.050 6.861 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.281 4.969 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.689 5.196 8.581 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.365 4.067 8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.827 5.857 7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.128 7.028 7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.762 7.059 9.878 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.497 6.941 10.098 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.240 4.317 9.997 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.922 7.114 12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.848 6.183 13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.149 3.126 11.928 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.412 3.935 13.476 1.00 0.00 H new ATOM 1012 N ARG A 65 -12.032 3.291 6.307 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.673 1.999 6.097 1.00 0.00 C ATOM 1014 C ARG A 65 -12.163 1.340 4.819 1.00 0.00 C ATOM 1015 O ARG A 65 -11.961 0.127 4.773 1.00 0.00 O ATOM 1016 CB ARG A 65 -14.192 2.166 6.027 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.962 0.937 6.485 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.425 1.014 6.080 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.056 -0.303 6.053 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.358 -0.492 5.874 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.165 0.547 5.706 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.857 -1.721 5.862 1.00 0.00 N ATOM 0 H ARG A 65 -12.680 4.064 6.460 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.423 1.356 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.484 3.017 6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.476 2.401 5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.511 0.043 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.888 0.842 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.961 1.658 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.505 1.474 5.095 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.463 -1.124 6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.786 1.494 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.165 0.399 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.240 -2.523 5.990 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.858 -1.864 5.724 1.00 0.00 H new ATOM 1036 N MET A 66 -11.959 2.148 3.784 1.00 0.00 N ATOM 1037 CA MET A 66 -11.472 1.643 2.505 1.00 0.00 C ATOM 1038 C MET A 66 -10.214 0.802 2.696 1.00 0.00 C ATOM 1039 O MET A 66 -9.973 -0.150 1.954 1.00 0.00 O ATOM 1040 CB MET A 66 -11.184 2.803 1.551 1.00 0.00 C ATOM 1041 CG MET A 66 -10.162 3.792 2.087 1.00 0.00 C ATOM 1042 SD MET A 66 -10.075 5.302 1.105 1.00 0.00 S ATOM 1043 CE MET A 66 -11.713 5.976 1.374 1.00 0.00 C ATOM 0 H MET A 66 -12.123 3.154 3.805 1.00 0.00 H new ATOM 0 HA MET A 66 -12.248 1.011 2.073 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.827 2.402 0.602 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.114 3.331 1.343 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.414 4.047 3.116 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.180 3.319 2.107 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.646 7.057 1.496 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.346 5.746 0.517 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.145 5.535 2.272 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.414 1.161 3.695 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.179 0.441 3.981 1.00 0.00 C ATOM 1055 C TYR A 67 -8.396 -0.600 5.075 1.00 0.00 C ATOM 1056 O TYR A 67 -7.829 -1.692 5.033 1.00 0.00 O ATOM 1057 CB TYR A 67 -7.080 1.418 4.402 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.978 2.635 3.511 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.412 2.548 2.245 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.449 3.872 3.934 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.316 3.658 1.428 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.359 4.987 3.123 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.791 4.875 1.871 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.698 5.982 1.059 1.00 0.00 O ATOM 0 H TYR A 67 -9.599 1.946 4.320 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.870 -0.074 3.071 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.266 1.742 5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.123 0.897 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.041 1.597 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.893 3.963 4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.871 3.573 0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.731 5.941 3.467 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.590 6.225 0.734 1.00 0.00 H new ATOM 1074 N THR A 68 -9.223 -0.253 6.057 1.00 0.00 N ATOM 1075 CA THR A 68 -9.517 -1.155 7.163 1.00 0.00 C ATOM 1076 C THR A 68 -10.017 -2.503 6.656 1.00 0.00 C ATOM 1077 O THR A 68 -9.394 -3.538 6.895 1.00 0.00 O ATOM 1078 CB THR A 68 -10.569 -0.554 8.114 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.497 0.876 8.084 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.356 -1.047 9.538 1.00 0.00 C ATOM 0 H THR A 68 -9.701 0.647 6.108 1.00 0.00 H new ATOM 0 HA THR A 68 -8.585 -1.299 7.709 1.00 0.00 H new ATOM 0 HB THR A 68 -11.555 -0.875 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.170 1.250 8.690 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.111 -0.609 10.191 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.440 -2.133 9.563 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.364 -0.752 9.881 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.146 -2.484 5.956 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.731 -3.705 5.414 1.00 0.00 C ATOM 1090 C LEU A 69 -10.782 -4.369 4.421 1.00 0.00 C ATOM 1091 O LEU A 69 -10.546 -5.575 4.486 1.00 0.00 O ATOM 1092 CB LEU A 69 -13.065 -3.396 4.733 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.302 -3.433 5.632 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.608 -4.860 6.060 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.104 -2.540 6.847 1.00 0.00 C ATOM 0 H LEU A 69 -11.675 -1.636 5.751 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.903 -4.394 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.999 -2.406 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.209 -4.109 3.921 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.153 -3.056 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.491 -4.867 6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.794 -5.473 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.759 -5.265 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.994 -2.578 7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.242 -2.887 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.934 -1.514 6.521 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.240 -3.573 3.505 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.316 -4.084 2.500 1.00 0.00 C ATOM 1109 C GLU A 70 -8.185 -4.875 3.152 1.00 0.00 C ATOM 1110 O GLU A 70 -8.028 -6.071 2.907 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.737 -2.933 1.674 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.915 -3.392 0.481 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.642 -4.418 -0.367 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.408 -4.011 -1.265 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.443 -5.629 -0.132 1.00 0.00 O ATOM 0 H GLU A 70 -10.425 -2.572 3.438 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.871 -4.752 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.554 -2.304 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.113 -2.313 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.663 -2.529 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.975 -3.817 0.834 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.401 -4.198 3.984 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.286 -4.837 4.673 1.00 0.00 C ATOM 1124 C ALA A 71 -6.748 -6.074 5.435 1.00 0.00 C ATOM 1125 O ALA A 71 -6.025 -7.066 5.526 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.617 -3.851 5.619 1.00 0.00 C ATOM 0 H ALA A 71 -7.517 -3.207 4.197 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.561 -5.154 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.786 -4.341 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.244 -2.999 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.341 -3.506 6.357 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.958 -6.009 5.981 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.518 -7.125 6.735 1.00 0.00 C ATOM 1134 C LYS A 72 -8.493 -8.407 5.910 1.00 0.00 C ATOM 1135 O LYS A 72 -7.949 -9.423 6.341 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.953 -6.809 7.163 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.406 -7.579 8.391 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.770 -7.113 8.870 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.697 -5.730 9.498 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.779 -5.518 10.499 1.00 0.00 N ATOM 0 H LYS A 72 -8.570 -5.195 5.915 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.905 -7.274 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.036 -5.741 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.627 -7.032 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.445 -8.644 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.676 -7.453 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.465 -7.097 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.164 -7.824 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.727 -5.600 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.770 -4.972 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.695 -4.564 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.705 -5.617 10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.694 -6.225 11.257 1.00 0.00 H new ATOM 1154 N ALA A 73 -9.083 -8.351 4.720 1.00 0.00 N ATOM 1155 CA ALA A 73 -9.125 -9.507 3.833 1.00 0.00 C ATOM 1156 C ALA A 73 -7.724 -10.051 3.574 1.00 0.00 C ATOM 1157 O ALA A 73 -7.519 -11.264 3.512 1.00 0.00 O ATOM 1158 CB ALA A 73 -9.803 -9.141 2.521 1.00 0.00 C ATOM 0 H ALA A 73 -9.538 -7.517 4.348 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.705 -10.289 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.827 -10.014 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.822 -8.807 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.246 -8.340 2.035 1.00 0.00 H new ATOM 1164 N LEU A 74 -6.763 -9.147 3.422 1.00 0.00 N ATOM 1165 CA LEU A 74 -5.380 -9.536 3.168 1.00 0.00 C ATOM 1166 C LEU A 74 -4.797 -10.285 4.362 1.00 0.00 C ATOM 1167 O LEU A 74 -4.101 -11.287 4.199 1.00 0.00 O ATOM 1168 CB LEU A 74 -4.530 -8.302 2.861 1.00 0.00 C ATOM 1169 CG LEU A 74 -4.448 -7.891 1.391 1.00 0.00 C ATOM 1170 CD1 LEU A 74 -3.824 -9.002 0.560 1.00 0.00 C ATOM 1171 CD2 LEU A 74 -5.829 -7.537 0.858 1.00 0.00 C ATOM 0 H LEU A 74 -6.916 -8.140 3.470 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.369 -10.201 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.927 -7.462 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.518 -8.483 3.224 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.813 -7.008 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.774 -8.691 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.818 -9.209 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.432 -9.903 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.751 -7.247 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.486 -8.402 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.240 -6.708 1.434 1.00 0.00 H new ATOM 1183 N ALA A 75 -5.089 -9.794 5.562 1.00 0.00 N ATOM 1184 CA ALA A 75 -4.597 -10.420 6.783 1.00 0.00 C ATOM 1185 C ALA A 75 -5.107 -11.851 6.910 1.00 0.00 C ATOM 1186 O ALA A 75 -4.341 -12.767 7.209 1.00 0.00 O ATOM 1187 CB ALA A 75 -5.009 -9.601 7.998 1.00 0.00 C ATOM 0 H ALA A 75 -5.663 -8.965 5.715 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.509 -10.453 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.635 -10.080 8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.591 -8.597 7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.096 -9.539 8.043 1.00 0.00 H new ATOM 1193 N GLU A 76 -6.403 -12.036 6.682 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.014 -13.357 6.773 1.00 0.00 C ATOM 1195 C GLU A 76 -6.558 -14.247 5.621 1.00 0.00 C ATOM 1196 O GLU A 76 -6.164 -15.394 5.829 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.540 -13.239 6.768 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.072 -12.184 7.722 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.467 -12.501 8.224 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.762 -13.696 8.438 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -11.264 -11.556 8.402 1.00 0.00 O ATOM 0 H GLU A 76 -7.050 -11.288 6.433 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.695 -13.813 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.874 -13.005 5.757 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.971 -14.205 7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.396 -12.094 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.082 -11.217 7.219 1.00 0.00 H new ATOM 1208 N GLU A 77 -6.615 -13.710 4.406 1.00 0.00 N ATOM 1209 CA GLU A 77 -6.209 -14.457 3.221 1.00 0.00 C ATOM 1210 C GLU A 77 -4.806 -15.031 3.394 1.00 0.00 C ATOM 1211 O GLU A 77 -4.542 -16.173 3.021 1.00 0.00 O ATOM 1212 CB GLU A 77 -6.255 -13.557 1.984 1.00 0.00 C ATOM 1213 CG GLU A 77 -5.757 -14.236 0.719 1.00 0.00 C ATOM 1214 CD GLU A 77 -6.181 -13.506 -0.540 1.00 0.00 C ATOM 1215 OE1 GLU A 77 -7.231 -12.831 -0.509 1.00 0.00 O ATOM 1216 OE2 GLU A 77 -5.462 -13.609 -1.556 1.00 0.00 O ATOM 0 H GLU A 77 -6.938 -12.761 4.217 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.907 -15.284 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.280 -13.222 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.653 -12.667 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.669 -14.299 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.135 -15.258 0.687 1.00 0.00 H new ATOM 1223 N GLN A 78 -3.911 -14.229 3.963 1.00 0.00 N ATOM 1224 CA GLN A 78 -2.535 -14.657 4.184 1.00 0.00 C ATOM 1225 C GLN A 78 -2.491 -15.969 4.961 1.00 0.00 C ATOM 1226 O GLN A 78 -1.703 -16.862 4.649 1.00 0.00 O ATOM 1227 CB GLN A 78 -1.758 -13.578 4.939 1.00 0.00 C ATOM 1228 CG GLN A 78 -1.196 -12.490 4.038 1.00 0.00 C ATOM 1229 CD GLN A 78 0.191 -12.819 3.521 1.00 0.00 C ATOM 1230 OE1 GLN A 78 1.099 -13.121 4.295 1.00 0.00 O ATOM 1231 NE2 GLN A 78 0.361 -12.762 2.205 1.00 0.00 N ATOM 0 H GLN A 78 -4.114 -13.281 4.279 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.070 -14.816 3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.414 -13.121 5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.938 -14.046 5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.868 -12.340 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.161 -11.550 4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.420 -12.507 1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.273 -12.973 1.799 1.00 0.00 H new ATOM 1240 N LYS A 79 -3.342 -16.079 5.976 1.00 0.00 N ATOM 1241 CA LYS A 79 -3.402 -17.282 6.798 1.00 0.00 C ATOM 1242 C LYS A 79 -3.886 -18.475 5.981 1.00 0.00 C ATOM 1243 O LYS A 79 -3.490 -19.613 6.234 1.00 0.00 O ATOM 1244 CB LYS A 79 -4.328 -17.060 7.995 1.00 0.00 C ATOM 1245 CG LYS A 79 -4.004 -15.808 8.792 1.00 0.00 C ATOM 1246 CD LYS A 79 -4.730 -15.792 10.126 1.00 0.00 C ATOM 1247 CE LYS A 79 -4.113 -14.785 11.085 1.00 0.00 C ATOM 1248 NZ LYS A 79 -4.320 -15.174 12.507 1.00 0.00 N ATOM 0 H LYS A 79 -4.000 -15.349 6.249 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.396 -17.496 7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.357 -16.999 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.269 -17.926 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.929 -15.752 8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.282 -14.926 8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.780 -15.548 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.698 -16.787 10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.045 -14.699 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.550 -13.802 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.885 -14.462 13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.339 -15.231 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.881 -16.100 12.681 1.00 0.00 H new ATOM 1262 N ARG A 80 -4.742 -18.208 5.001 1.00 0.00 N ATOM 1263 CA ARG A 80 -5.280 -19.260 4.147 1.00 0.00 C ATOM 1264 C ARG A 80 -4.186 -19.858 3.268 1.00 0.00 C ATOM 1265 O ARG A 80 -4.140 -21.070 3.054 1.00 0.00 O ATOM 1266 CB ARG A 80 -6.409 -18.711 3.273 1.00 0.00 C ATOM 1267 CG ARG A 80 -7.484 -17.976 4.057 1.00 0.00 C ATOM 1268 CD ARG A 80 -8.269 -18.925 4.950 1.00 0.00 C ATOM 1269 NE ARG A 80 -9.215 -19.735 4.188 1.00 0.00 N ATOM 1270 CZ ARG A 80 -9.791 -20.834 4.663 1.00 0.00 C ATOM 1271 NH1 ARG A 80 -9.519 -21.251 5.892 1.00 0.00 N ATOM 1272 NH2 ARG A 80 -10.642 -21.518 3.909 1.00 0.00 N ATOM 0 H ARG A 80 -5.078 -17.271 4.778 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.678 -20.046 4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -5.986 -18.034 2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.869 -19.535 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.024 -17.198 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.164 -17.479 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.577 -19.579 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.808 -18.351 5.704 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.446 -19.441 3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.866 -20.728 6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.963 -22.095 6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.855 -21.200 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.083 -22.362 4.275 1.00 0.00 H new ATOM 1286 N LEU A 81 -3.307 -19.001 2.760 1.00 0.00 N ATOM 1287 CA LEU A 81 -2.213 -19.444 1.903 1.00 0.00 C ATOM 1288 C LEU A 81 -1.121 -20.124 2.722 1.00 0.00 C ATOM 1289 O LEU A 81 -0.445 -21.032 2.240 1.00 0.00 O ATOM 1290 CB LEU A 81 -1.627 -18.257 1.136 1.00 0.00 C ATOM 1291 CG LEU A 81 -2.321 -17.898 -0.178 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -3.751 -17.446 0.079 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -1.543 -16.818 -0.915 1.00 0.00 C ATOM 0 H LEU A 81 -3.331 -17.995 2.927 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.611 -20.167 1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.650 -17.383 1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.579 -18.469 0.924 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.350 -18.789 -0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.229 -17.195 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.305 -18.250 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.745 -16.569 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.052 -16.575 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.481 -15.925 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.538 -17.179 -1.133 1.00 0.00 H new ATOM 1305 N ASN A 82 -0.956 -19.679 3.964 1.00 0.00 N ATOM 1306 CA ASN A 82 0.053 -20.247 4.850 1.00 0.00 C ATOM 1307 C ASN A 82 -0.595 -20.877 6.079 1.00 0.00 C ATOM 1308 O ASN A 82 -0.502 -20.363 7.194 1.00 0.00 O ATOM 1309 CB ASN A 82 1.048 -19.167 5.282 1.00 0.00 C ATOM 1310 CG ASN A 82 1.497 -18.298 4.123 1.00 0.00 C ATOM 1311 OD1 ASN A 82 1.603 -18.764 2.988 1.00 0.00 O ATOM 1312 ND2 ASN A 82 1.765 -17.028 4.405 1.00 0.00 N ATOM 0 H ASN A 82 -1.507 -18.928 4.379 1.00 0.00 H new ATOM 0 HA ASN A 82 0.585 -21.025 4.303 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.590 -18.540 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.919 -19.640 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.073 -16.395 3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.663 -16.685 5.360 1.00 0.00 H new ATOM 1319 N PRO A 83 -1.268 -22.019 5.873 1.00 0.00 N ATOM 1320 CA PRO A 83 -1.943 -22.746 6.952 1.00 0.00 C ATOM 1321 C PRO A 83 -0.959 -23.386 7.925 1.00 0.00 C ATOM 1322 O PRO A 83 -1.278 -23.600 9.094 1.00 0.00 O ATOM 1323 CB PRO A 83 -2.740 -23.822 6.210 1.00 0.00 C ATOM 1324 CG PRO A 83 -2.000 -24.028 4.933 1.00 0.00 C ATOM 1325 CD PRO A 83 -1.420 -22.689 4.571 1.00 0.00 C ATOM 0 HA PRO A 83 -2.558 -22.087 7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.795 -24.744 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.765 -23.500 6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.215 -24.774 5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.666 -24.390 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -0.464 -22.791 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.080 -22.131 3.907 1.00 0.00 H new ATOM 1333 N ASP A 84 0.237 -23.691 7.434 1.00 0.00 N ATOM 1334 CA ASP A 84 1.269 -24.306 8.260 1.00 0.00 C ATOM 1335 C ASP A 84 1.526 -23.477 9.515 1.00 0.00 C ATOM 1336 O ASP A 84 1.804 -24.021 10.584 1.00 0.00 O ATOM 1337 CB ASP A 84 2.565 -24.463 7.463 1.00 0.00 C ATOM 1338 CG ASP A 84 2.376 -25.298 6.211 1.00 0.00 C ATOM 1339 OD1 ASP A 84 1.411 -26.088 6.165 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.195 -25.160 5.278 1.00 0.00 O ATOM 0 H ASP A 84 0.516 -23.522 6.467 1.00 0.00 H new ATOM 0 HA ASP A 84 0.917 -25.292 8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.940 -23.478 7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.323 -24.926 8.095 1.00 0.00 H new ATOM 1345 N CYS A 85 1.432 -22.159 9.376 1.00 0.00 N ATOM 1346 CA CYS A 85 1.657 -21.255 10.498 1.00 0.00 C ATOM 1347 C CYS A 85 0.484 -20.295 10.666 1.00 0.00 C ATOM 1348 O CYS A 85 -0.464 -20.314 9.880 1.00 0.00 O ATOM 1349 CB CYS A 85 2.951 -20.466 10.293 1.00 0.00 C ATOM 1350 SG CYS A 85 4.448 -21.374 10.747 1.00 0.00 S ATOM 0 H CYS A 85 1.202 -21.693 8.498 1.00 0.00 H new ATOM 0 HA CYS A 85 1.745 -21.855 11.404 1.00 0.00 H new ATOM 0 HB2 CYS A 85 3.022 -20.170 9.246 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.902 -19.549 10.881 1.00 0.00 H new ATOM 0 HG CYS A 85 5.490 -20.626 10.537 1.00 0.00 H new ATOM 1356 N TRP A 86 0.553 -19.457 11.694 1.00 0.00 N ATOM 1357 CA TRP A 86 -0.504 -18.491 11.966 1.00 0.00 C ATOM 1358 C TRP A 86 -0.035 -17.072 11.666 1.00 0.00 C ATOM 1359 O TRP A 86 -0.289 -16.146 12.437 1.00 0.00 O ATOM 1360 CB TRP A 86 -0.956 -18.594 13.424 1.00 0.00 C ATOM 1361 CG TRP A 86 -1.902 -19.730 13.673 1.00 0.00 C ATOM 1362 CD1 TRP A 86 -2.140 -20.794 12.851 1.00 0.00 C ATOM 1363 CD2 TRP A 86 -2.737 -19.913 14.822 1.00 0.00 C ATOM 1364 NE1 TRP A 86 -3.073 -21.627 13.419 1.00 0.00 N ATOM 1365 CE2 TRP A 86 -3.454 -21.110 14.629 1.00 0.00 C ATOM 1366 CE3 TRP A 86 -2.947 -19.184 15.995 1.00 0.00 C ATOM 1367 CZ2 TRP A 86 -4.366 -21.590 15.565 1.00 0.00 C ATOM 1368 CZ3 TRP A 86 -3.852 -19.662 16.923 1.00 0.00 C ATOM 1369 CH2 TRP A 86 -4.552 -20.856 16.705 1.00 0.00 C ATOM 0 H TRP A 86 1.331 -19.427 12.353 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.347 -18.721 11.315 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -0.080 -18.714 14.061 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -1.436 -17.660 13.715 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -1.665 -20.957 11.895 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -3.425 -22.491 13.006 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -2.411 -18.263 16.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -4.908 -22.509 15.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -4.023 -19.105 17.833 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -5.252 -21.204 17.451 1.00 0.00 H new ATOM 1380 N LYS A 87 0.652 -16.906 10.540 1.00 0.00 N ATOM 1381 CA LYS A 87 1.156 -15.598 10.137 1.00 0.00 C ATOM 1382 C LYS A 87 0.854 -15.329 8.666 1.00 0.00 C ATOM 1383 O LYS A 87 1.720 -15.493 7.805 1.00 0.00 O ATOM 1384 CB LYS A 87 2.664 -15.512 10.383 1.00 0.00 C ATOM 1385 CG LYS A 87 3.027 -15.175 11.819 1.00 0.00 C ATOM 1386 CD LYS A 87 3.129 -16.425 12.677 1.00 0.00 C ATOM 1387 CE LYS A 87 4.524 -17.028 12.617 1.00 0.00 C ATOM 1388 NZ LYS A 87 5.459 -16.359 13.563 1.00 0.00 N ATOM 0 H LYS A 87 0.872 -17.661 9.891 1.00 0.00 H new ATOM 0 HA LYS A 87 0.652 -14.841 10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.122 -16.464 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.089 -14.756 9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.977 -14.640 11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.275 -14.506 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.881 -16.180 13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.399 -17.160 12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.470 -18.091 12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.913 -16.944 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.399 -16.799 13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.530 -15.349 13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.102 -16.461 14.534 1.00 0.00 H new TER 1402 LYS A 87