USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0118 (180deg=-0.249) USER MOD Single : A 6 SER OG : rot -26:sc= 0.0779 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 17 SER OG : rot -48:sc= 0.618 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 85:sc= 0.0402 USER MOD Single : A 26 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0207 K(o=-0.021,f=-0.84) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 0.69 (180deg=0.566) USER MOD Single : A 37 CYS SG : rot 10:sc= -1.74 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0283 USER MOD Single : A 44 SER OG : rot -29:sc= 0.0392 USER MOD Single : A 64 LYS NZ :NH3+ -147:sc= 0.201 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0326 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.009 (180deg=-0.103) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -14.415 -1.799 -0.999 1.00 32.23 N ATOM 2 CA GLY A -2 -13.372 -0.924 -0.413 1.00 33.23 C ATOM 3 C GLY A -2 -13.936 0.404 0.069 1.00 71.14 C ATOM 4 O GLY A -2 -14.533 0.467 1.153 1.00 73.12 O ATOM 0 H1 GLY A -2 -13.983 -2.692 -1.313 1.00 32.23 H new ATOM 0 H2 GLY A -2 -15.142 -1.999 -0.283 1.00 32.23 H new ATOM 0 H3 GLY A -2 -14.852 -1.321 -1.813 1.00 32.23 H new ATOM 0 HA2 GLY A -2 -12.896 -1.439 0.422 1.00 33.23 H new ATOM 0 HA3 GLY A -2 -12.597 -0.739 -1.156 1.00 33.23 H new ATOM 10 N SER A -1 -13.705 1.459 -0.736 1.00 12.33 N ATOM 11 CA SER A -1 -14.323 2.796 -0.574 1.00 15.25 C ATOM 12 C SER A -1 -13.887 3.548 0.712 1.00 71.20 C ATOM 13 O SER A -1 -14.688 4.257 1.331 1.00 33.23 O ATOM 14 CB SER A -1 -15.861 2.690 -0.666 1.00 4.14 C ATOM 15 OG SER A -1 -16.251 2.119 -1.906 1.00 74.44 O ATOM 0 H SER A -1 -13.072 1.408 -1.534 1.00 12.33 H new ATOM 0 HA SER A -1 -13.951 3.404 -1.398 1.00 15.25 H new ATOM 0 HB2 SER A -1 -16.238 2.081 0.155 1.00 4.14 H new ATOM 0 HB3 SER A -1 -16.306 3.679 -0.560 1.00 4.14 H new ATOM 0 HG SER A -1 -17.228 2.058 -1.945 1.00 74.44 H new ATOM 21 N HIS A 0 -12.614 3.412 1.092 1.00 1.12 N ATOM 22 CA HIS A 0 -12.040 4.163 2.219 1.00 24.52 C ATOM 23 C HIS A 0 -10.574 4.478 1.952 1.00 72.34 C ATOM 24 O HIS A 0 -9.956 3.841 1.103 1.00 54.22 O ATOM 25 CB HIS A 0 -12.146 3.379 3.533 1.00 23.53 C ATOM 26 CG HIS A 0 -13.252 3.840 4.435 1.00 3.01 C ATOM 27 ND1 HIS A 0 -14.324 3.047 4.779 1.00 4.40 N ATOM 28 CD2 HIS A 0 -13.423 5.010 5.097 1.00 52.04 C ATOM 29 CE1 HIS A 0 -15.113 3.715 5.603 1.00 31.24 C ATOM 30 NE2 HIS A 0 -14.588 4.906 5.817 1.00 63.43 N ATOM 0 H HIS A 0 -11.954 2.784 0.633 1.00 1.12 H new ATOM 0 HA HIS A 0 -12.610 5.087 2.315 1.00 24.52 H new ATOM 0 HB2 HIS A 0 -12.296 2.324 3.303 1.00 23.53 H new ATOM 0 HB3 HIS A 0 -11.199 3.458 4.068 1.00 23.53 H new ATOM 0 HD2 HIS A 0 -12.765 5.866 5.064 1.00 52.04 H new ATOM 0 HE1 HIS A 0 -16.034 3.347 6.030 1.00 31.24 H new ATOM 0 HE2 HIS A 0 -14.982 5.630 6.418 1.00 63.43 H new ATOM 39 N MET A 1 -10.042 5.486 2.666 1.00 12.13 N ATOM 40 CA MET A 1 -8.601 5.805 2.654 1.00 1.15 C ATOM 41 C MET A 1 -8.187 6.594 3.919 1.00 73.15 C ATOM 42 O MET A 1 -8.429 7.803 4.014 1.00 0.04 O ATOM 43 CB MET A 1 -8.189 6.560 1.360 1.00 63.23 C ATOM 44 CG MET A 1 -9.095 7.730 0.949 1.00 13.12 C ATOM 45 SD MET A 1 -8.635 8.449 -0.643 1.00 33.21 S ATOM 46 CE MET A 1 -9.132 7.149 -1.783 1.00 60.55 C ATOM 0 H MET A 1 -10.594 6.100 3.265 1.00 12.13 H new ATOM 0 HA MET A 1 -8.062 4.858 2.663 1.00 1.15 H new ATOM 0 HB2 MET A 1 -7.175 6.939 1.491 1.00 63.23 H new ATOM 0 HB3 MET A 1 -8.158 5.844 0.539 1.00 63.23 H new ATOM 0 HG2 MET A 1 -10.128 7.384 0.901 1.00 13.12 H new ATOM 0 HG3 MET A 1 -9.053 8.503 1.717 1.00 13.12 H new ATOM 0 HE1 MET A 1 -9.177 7.550 -2.795 1.00 60.55 H new ATOM 0 HE2 MET A 1 -8.406 6.336 -1.747 1.00 60.55 H new ATOM 0 HE3 MET A 1 -10.114 6.771 -1.498 1.00 60.55 H new ATOM 56 N VAL A 2 -7.600 5.892 4.904 1.00 63.41 N ATOM 57 CA VAL A 2 -7.079 6.526 6.131 1.00 52.14 C ATOM 58 C VAL A 2 -6.149 5.549 6.913 1.00 33.14 C ATOM 59 O VAL A 2 -6.564 4.455 7.314 1.00 34.21 O ATOM 60 CB VAL A 2 -8.235 7.099 7.044 1.00 32.42 C ATOM 61 CG1 VAL A 2 -9.277 6.047 7.448 1.00 45.23 C ATOM 62 CG2 VAL A 2 -7.669 7.781 8.283 1.00 43.30 C ATOM 0 H VAL A 2 -7.473 4.880 4.875 1.00 63.41 H new ATOM 0 HA VAL A 2 -6.477 7.382 5.825 1.00 52.14 H new ATOM 0 HB VAL A 2 -8.755 7.836 6.432 1.00 32.42 H new ATOM 0 HG11 VAL A 2 -10.039 6.511 8.073 1.00 45.23 H new ATOM 0 HG12 VAL A 2 -9.743 5.634 6.553 1.00 45.23 H new ATOM 0 HG13 VAL A 2 -8.789 5.247 8.005 1.00 45.23 H new ATOM 0 HG21 VAL A 2 -8.487 8.166 8.892 1.00 43.30 H new ATOM 0 HG22 VAL A 2 -7.092 7.061 8.863 1.00 43.30 H new ATOM 0 HG23 VAL A 2 -7.023 8.605 7.981 1.00 43.30 H new ATOM 72 N ILE A 3 -4.864 5.933 7.064 1.00 34.40 N ATOM 73 CA ILE A 3 -3.909 5.167 7.877 1.00 33.33 C ATOM 74 C ILE A 3 -2.671 6.036 8.245 1.00 1.31 C ATOM 75 O ILE A 3 -2.104 6.728 7.391 1.00 42.31 O ATOM 76 CB ILE A 3 -3.485 3.814 7.180 1.00 54.33 C ATOM 77 CG1 ILE A 3 -2.609 2.964 8.121 1.00 35.00 C ATOM 78 CG2 ILE A 3 -2.776 4.045 5.837 1.00 15.44 C ATOM 79 CD1 ILE A 3 -2.391 1.538 7.653 1.00 44.01 C ATOM 0 H ILE A 3 -4.469 6.768 6.632 1.00 34.40 H new ATOM 0 HA ILE A 3 -4.415 4.894 8.803 1.00 33.33 H new ATOM 0 HB ILE A 3 -4.402 3.266 6.966 1.00 54.33 H new ATOM 0 HG12 ILE A 3 -1.639 3.449 8.233 1.00 35.00 H new ATOM 0 HG13 ILE A 3 -3.071 2.943 9.108 1.00 35.00 H new ATOM 0 HG21 ILE A 3 -2.505 3.085 5.399 1.00 15.44 H new ATOM 0 HG22 ILE A 3 -3.444 4.578 5.160 1.00 15.44 H new ATOM 0 HG23 ILE A 3 -1.875 4.637 5.998 1.00 15.44 H new ATOM 0 HD11 ILE A 3 -1.765 1.011 8.372 1.00 44.01 H new ATOM 0 HD12 ILE A 3 -3.353 1.032 7.569 1.00 44.01 H new ATOM 0 HD13 ILE A 3 -1.899 1.545 6.680 1.00 44.01 H new ATOM 91 N ARG A 4 -2.318 6.047 9.543 1.00 65.05 N ATOM 92 CA ARG A 4 -1.090 6.681 10.049 1.00 33.54 C ATOM 93 C ARG A 4 -0.535 5.877 11.215 1.00 1.32 C ATOM 94 O ARG A 4 -1.306 5.443 12.077 1.00 3.32 O ATOM 95 CB ARG A 4 -1.334 8.106 10.555 1.00 44.12 C ATOM 96 CG ARG A 4 -1.289 9.197 9.495 1.00 24.41 C ATOM 97 CD ARG A 4 -2.571 10.005 9.506 1.00 15.11 C ATOM 98 NE ARG A 4 -2.470 11.227 8.708 1.00 50.53 N ATOM 99 CZ ARG A 4 -2.315 12.458 9.225 1.00 3.04 C ATOM 100 NH1 ARG A 4 -2.216 12.645 10.541 1.00 40.00 N ATOM 101 NH2 ARG A 4 -2.312 13.513 8.423 1.00 63.42 N ATOM 0 H ARG A 4 -2.881 5.613 10.274 1.00 65.05 H new ATOM 0 HA ARG A 4 -0.392 6.713 9.213 1.00 33.54 H new ATOM 0 HB2 ARG A 4 -2.309 8.138 11.042 1.00 44.12 H new ATOM 0 HB3 ARG A 4 -0.589 8.334 11.317 1.00 44.12 H new ATOM 0 HG2 ARG A 4 -0.438 9.853 9.677 1.00 24.41 H new ATOM 0 HG3 ARG A 4 -1.143 8.750 8.512 1.00 24.41 H new ATOM 0 HD2 ARG A 4 -3.387 9.391 9.123 1.00 15.11 H new ATOM 0 HD3 ARG A 4 -2.823 10.266 10.534 1.00 15.11 H new ATOM 0 HE ARG A 4 -2.521 11.139 7.693 1.00 50.53 H new ATOM 0 HH11 ARG A 4 -2.257 11.846 11.174 1.00 40.00 H new ATOM 0 HH12 ARG A 4 -2.099 13.587 10.915 1.00 40.00 H new ATOM 0 HH21 ARG A 4 -2.427 13.389 7.417 1.00 63.42 H new ATOM 0 HH22 ARG A 4 -2.195 14.449 8.812 1.00 63.42 H new ATOM 115 N GLU A 5 0.798 5.662 11.201 1.00 44.42 N ATOM 116 CA GLU A 5 1.572 5.056 12.325 1.00 34.42 C ATOM 117 C GLU A 5 1.143 3.610 12.675 1.00 53.01 C ATOM 118 O GLU A 5 1.462 3.109 13.760 1.00 5.01 O ATOM 119 CB GLU A 5 1.497 5.943 13.585 1.00 74.23 C ATOM 120 CG GLU A 5 2.160 7.305 13.440 1.00 54.13 C ATOM 121 CD GLU A 5 1.828 8.227 14.595 1.00 11.11 C ATOM 122 OE1 GLU A 5 2.476 8.117 15.659 1.00 64.22 O ATOM 123 OE2 GLU A 5 0.917 9.067 14.433 1.00 10.15 O ATOM 0 H GLU A 5 1.382 5.905 10.401 1.00 44.42 H new ATOM 0 HA GLU A 5 2.601 4.999 11.971 1.00 34.42 H new ATOM 0 HB2 GLU A 5 0.450 6.089 13.849 1.00 74.23 H new ATOM 0 HB3 GLU A 5 1.964 5.413 14.415 1.00 74.23 H new ATOM 0 HG2 GLU A 5 3.241 7.177 13.378 1.00 54.13 H new ATOM 0 HG3 GLU A 5 1.840 7.766 12.505 1.00 54.13 H new ATOM 130 N SER A 6 0.465 2.935 11.747 1.00 11.53 N ATOM 131 CA SER A 6 -0.119 1.621 12.018 1.00 54.45 C ATOM 132 C SER A 6 0.582 0.521 11.215 1.00 20.15 C ATOM 133 O SER A 6 0.344 -0.665 11.457 1.00 31.13 O ATOM 134 CB SER A 6 -1.630 1.669 11.716 1.00 34.04 C ATOM 135 OG SER A 6 -2.298 0.529 12.221 1.00 31.12 O ATOM 0 H SER A 6 0.306 3.277 10.799 1.00 11.53 H new ATOM 0 HA SER A 6 0.024 1.376 13.070 1.00 54.45 H new ATOM 0 HB2 SER A 6 -2.061 2.569 12.155 1.00 34.04 H new ATOM 0 HB3 SER A 6 -1.785 1.735 10.639 1.00 34.04 H new ATOM 0 HG SER A 6 -1.669 -0.220 12.279 1.00 31.12 H new ATOM 141 N VAL A 7 1.474 0.970 10.301 1.00 42.34 N ATOM 142 CA VAL A 7 2.329 0.159 9.373 1.00 22.34 C ATOM 143 C VAL A 7 1.556 -0.769 8.404 1.00 71.45 C ATOM 144 O VAL A 7 0.571 -1.435 8.747 1.00 4.54 O ATOM 145 CB VAL A 7 3.514 -0.627 10.060 1.00 63.12 C ATOM 146 CG1 VAL A 7 4.344 0.296 10.943 1.00 41.32 C ATOM 147 CG2 VAL A 7 3.090 -1.888 10.838 1.00 61.13 C ATOM 0 H VAL A 7 1.633 1.970 10.176 1.00 42.34 H new ATOM 0 HA VAL A 7 2.780 0.946 8.768 1.00 22.34 H new ATOM 0 HB VAL A 7 4.125 -0.990 9.234 1.00 63.12 H new ATOM 0 HG11 VAL A 7 5.153 -0.271 11.404 1.00 41.32 H new ATOM 0 HG12 VAL A 7 4.763 1.099 10.337 1.00 41.32 H new ATOM 0 HG13 VAL A 7 3.711 0.722 11.721 1.00 41.32 H new ATOM 0 HG21 VAL A 7 3.971 -2.360 11.274 1.00 61.13 H new ATOM 0 HG22 VAL A 7 2.397 -1.610 11.632 1.00 61.13 H new ATOM 0 HG23 VAL A 7 2.602 -2.588 10.159 1.00 61.13 H new ATOM 157 N SER A 8 2.023 -0.799 7.160 1.00 23.54 N ATOM 158 CA SER A 8 1.441 -1.682 6.165 1.00 20.23 C ATOM 159 C SER A 8 2.075 -3.072 6.250 1.00 12.23 C ATOM 160 O SER A 8 3.275 -3.233 6.050 1.00 4.24 O ATOM 161 CB SER A 8 1.617 -1.080 4.765 1.00 74.14 C ATOM 162 OG SER A 8 0.879 0.121 4.639 1.00 65.44 O ATOM 0 H SER A 8 2.796 -0.226 6.822 1.00 23.54 H new ATOM 0 HA SER A 8 0.374 -1.788 6.362 1.00 20.23 H new ATOM 0 HB2 SER A 8 2.673 -0.885 4.578 1.00 74.14 H new ATOM 0 HB3 SER A 8 1.287 -1.796 4.012 1.00 74.14 H new ATOM 0 HG SER A 8 1.006 0.490 3.740 1.00 65.44 H new ATOM 168 N ARG A 9 1.237 -4.073 6.519 1.00 41.21 N ATOM 169 CA ARG A 9 1.692 -5.454 6.655 1.00 41.03 C ATOM 170 C ARG A 9 0.712 -6.451 6.022 1.00 2.35 C ATOM 171 O ARG A 9 -0.467 -6.163 5.910 1.00 64.14 O ATOM 172 CB ARG A 9 2.003 -5.835 8.135 1.00 52.25 C ATOM 173 CG ARG A 9 1.154 -5.176 9.241 1.00 64.43 C ATOM 174 CD ARG A 9 -0.341 -5.491 9.148 1.00 13.53 C ATOM 175 NE ARG A 9 -1.023 -5.463 10.451 1.00 62.12 N ATOM 176 CZ ARG A 9 -1.553 -4.374 11.033 1.00 34.04 C ATOM 177 NH1 ARG A 9 -1.477 -3.174 10.453 1.00 74.50 N ATOM 178 NH2 ARG A 9 -2.179 -4.512 12.204 1.00 33.50 N ATOM 0 H ARG A 9 0.233 -3.950 6.648 1.00 41.21 H new ATOM 0 HA ARG A 9 2.629 -5.519 6.102 1.00 41.03 H new ATOM 0 HB2 ARG A 9 1.898 -6.916 8.232 1.00 52.25 H new ATOM 0 HB3 ARG A 9 3.049 -5.597 8.329 1.00 52.25 H new ATOM 0 HG2 ARG A 9 1.524 -5.503 10.213 1.00 64.43 H new ATOM 0 HG3 ARG A 9 1.291 -4.096 9.195 1.00 64.43 H new ATOM 0 HD2 ARG A 9 -0.816 -4.771 8.481 1.00 13.53 H new ATOM 0 HD3 ARG A 9 -0.471 -6.476 8.699 1.00 13.53 H new ATOM 0 HE ARG A 9 -1.100 -6.346 10.956 1.00 62.12 H new ATOM 0 HH11 ARG A 9 -1.010 -3.072 9.552 1.00 74.50 H new ATOM 0 HH12 ARG A 9 -1.886 -2.359 10.911 1.00 74.50 H new ATOM 0 HH21 ARG A 9 -2.248 -5.431 12.640 1.00 33.50 H new ATOM 0 HH22 ARG A 9 -2.588 -3.698 12.663 1.00 33.50 H new ATOM 192 N ILE A 10 1.211 -7.635 5.648 1.00 20.04 N ATOM 193 CA ILE A 10 0.366 -8.708 5.080 1.00 40.20 C ATOM 194 C ILE A 10 0.336 -9.868 6.058 1.00 44.42 C ATOM 195 O ILE A 10 1.403 -10.217 6.626 1.00 3.33 O ATOM 196 CB ILE A 10 0.891 -9.255 3.705 1.00 0.35 C ATOM 197 CG1 ILE A 10 0.942 -8.149 2.671 1.00 32.42 C ATOM 198 CG2 ILE A 10 0.059 -10.438 3.179 1.00 30.33 C ATOM 199 CD1 ILE A 10 1.348 -8.603 1.273 1.00 4.24 C ATOM 0 H ILE A 10 2.198 -7.881 5.726 1.00 20.04 H new ATOM 0 HA ILE A 10 -0.620 -8.277 4.910 1.00 40.20 H new ATOM 0 HB ILE A 10 1.900 -9.627 3.883 1.00 0.35 H new ATOM 0 HG12 ILE A 10 -0.039 -7.677 2.615 1.00 32.42 H new ATOM 0 HG13 ILE A 10 1.644 -7.386 3.009 1.00 32.42 H new ATOM 0 HG21 ILE A 10 0.467 -10.775 2.226 1.00 30.33 H new ATOM 0 HG22 ILE A 10 0.094 -11.256 3.899 1.00 30.33 H new ATOM 0 HG23 ILE A 10 -0.975 -10.122 3.039 1.00 30.33 H new ATOM 0 HD11 ILE A 10 1.357 -7.745 0.600 1.00 4.24 H new ATOM 0 HD12 ILE A 10 2.343 -9.047 1.309 1.00 4.24 H new ATOM 0 HD13 ILE A 10 0.634 -9.342 0.909 1.00 4.24 H new ATOM 211 N TYR A 11 -0.892 -10.438 6.220 1.00 53.23 N ATOM 212 CA TYR A 11 -1.143 -11.570 7.102 1.00 43.45 C ATOM 213 C TYR A 11 -1.173 -12.846 6.262 1.00 12.34 C ATOM 214 O TYR A 11 -2.067 -13.046 5.434 1.00 30.12 O ATOM 215 CB TYR A 11 -2.499 -11.372 7.836 1.00 21.13 C ATOM 216 CG TYR A 11 -2.796 -12.354 8.965 1.00 2.33 C ATOM 217 CD1 TYR A 11 -3.272 -13.639 8.705 1.00 54.31 C ATOM 218 CD2 TYR A 11 -2.623 -11.981 10.295 1.00 12.10 C ATOM 219 CE1 TYR A 11 -3.554 -14.520 9.731 1.00 41.12 C ATOM 220 CE2 TYR A 11 -2.910 -12.858 11.326 1.00 74.41 C ATOM 221 CZ TYR A 11 -3.374 -14.126 11.038 1.00 3.13 C ATOM 222 OH TYR A 11 -3.663 -15.001 12.060 1.00 51.31 O ATOM 0 H TYR A 11 -1.725 -10.110 5.732 1.00 53.23 H new ATOM 0 HA TYR A 11 -0.354 -11.646 7.851 1.00 43.45 H new ATOM 0 HB2 TYR A 11 -2.525 -10.361 8.244 1.00 21.13 H new ATOM 0 HB3 TYR A 11 -3.301 -11.440 7.101 1.00 21.13 H new ATOM 0 HD1 TYR A 11 -3.423 -13.951 7.682 1.00 54.31 H new ATOM 0 HD2 TYR A 11 -2.259 -10.991 10.526 1.00 12.10 H new ATOM 0 HE1 TYR A 11 -3.914 -15.514 9.509 1.00 41.12 H new ATOM 0 HE2 TYR A 11 -2.772 -12.552 12.352 1.00 74.41 H new ATOM 0 HH TYR A 11 -3.481 -14.570 12.921 1.00 51.31 H new ATOM 232 N VAL A 12 -0.185 -13.698 6.467 1.00 75.44 N ATOM 233 CA VAL A 12 -0.141 -14.987 5.800 1.00 73.34 C ATOM 234 C VAL A 12 -0.164 -16.066 6.872 1.00 1.11 C ATOM 235 O VAL A 12 0.508 -15.929 7.877 1.00 32.24 O ATOM 236 CB VAL A 12 1.124 -15.151 4.903 1.00 24.31 C ATOM 237 CG1 VAL A 12 1.048 -16.417 4.070 1.00 34.25 C ATOM 238 CG2 VAL A 12 1.321 -13.960 3.984 1.00 62.25 C ATOM 0 H VAL A 12 0.601 -13.520 7.093 1.00 75.44 H new ATOM 0 HA VAL A 12 -1.003 -15.069 5.137 1.00 73.34 H new ATOM 0 HB VAL A 12 1.977 -15.216 5.579 1.00 24.31 H new ATOM 0 HG11 VAL A 12 1.944 -16.503 3.456 1.00 34.25 H new ATOM 0 HG12 VAL A 12 0.976 -17.282 4.729 1.00 34.25 H new ATOM 0 HG13 VAL A 12 0.169 -16.377 3.426 1.00 34.25 H new ATOM 0 HG21 VAL A 12 2.213 -14.113 3.376 1.00 62.25 H new ATOM 0 HG22 VAL A 12 0.452 -13.854 3.334 1.00 62.25 H new ATOM 0 HG23 VAL A 12 1.440 -13.056 4.581 1.00 62.25 H new ATOM 248 N GLY A 13 -1.001 -17.075 6.701 1.00 24.41 N ATOM 249 CA GLY A 13 -0.998 -18.212 7.596 1.00 20.04 C ATOM 250 C GLY A 13 -1.215 -19.526 6.876 1.00 64.41 C ATOM 251 O GLY A 13 -1.685 -19.548 5.736 1.00 1.32 O ATOM 0 H GLY A 13 -1.690 -17.127 5.950 1.00 24.41 H new ATOM 0 HA2 GLY A 13 -0.047 -18.247 8.128 1.00 20.04 H new ATOM 0 HA3 GLY A 13 -1.778 -18.081 8.346 1.00 20.04 H new ATOM 255 N ASN A 14 -0.815 -20.623 7.546 1.00 45.03 N ATOM 256 CA ASN A 14 -1.088 -22.018 7.115 1.00 30.11 C ATOM 257 C ASN A 14 -0.474 -22.354 5.740 1.00 10.41 C ATOM 258 O ASN A 14 -0.933 -23.263 5.075 1.00 51.12 O ATOM 259 CB ASN A 14 -2.615 -22.282 7.042 1.00 14.04 C ATOM 260 CG ASN A 14 -3.366 -22.036 8.339 1.00 41.25 C ATOM 261 OD1 ASN A 14 -2.848 -22.244 9.430 1.00 22.34 O ATOM 262 ND2 ASN A 14 -4.613 -21.588 8.220 1.00 23.01 N ATOM 0 H ASN A 14 -0.285 -20.570 8.416 1.00 45.03 H new ATOM 0 HA ASN A 14 -0.622 -22.656 7.866 1.00 30.11 H new ATOM 0 HB2 ASN A 14 -3.042 -21.648 6.265 1.00 14.04 H new ATOM 0 HB3 ASN A 14 -2.777 -23.315 6.735 1.00 14.04 H new ATOM 0 HD21 ASN A 14 -5.171 -21.406 9.054 1.00 23.01 H new ATOM 0 HD22 ASN A 14 -5.011 -21.426 7.295 1.00 23.01 H new ATOM 269 N LEU A 15 0.593 -21.667 5.333 1.00 65.33 N ATOM 270 CA LEU A 15 0.987 -21.679 3.926 1.00 73.21 C ATOM 271 C LEU A 15 1.888 -22.885 3.559 1.00 12.41 C ATOM 272 O LEU A 15 2.668 -23.370 4.391 1.00 0.23 O ATOM 273 CB LEU A 15 1.672 -20.351 3.549 1.00 3.02 C ATOM 274 CG LEU A 15 3.164 -20.236 3.875 1.00 64.35 C ATOM 275 CD1 LEU A 15 3.914 -19.811 2.627 1.00 10.34 C ATOM 276 CD2 LEU A 15 3.395 -19.246 5.006 1.00 63.42 C ATOM 0 H LEU A 15 1.188 -21.107 5.943 1.00 65.33 H new ATOM 0 HA LEU A 15 0.072 -21.790 3.344 1.00 73.21 H new ATOM 0 HB2 LEU A 15 1.543 -20.193 2.478 1.00 3.02 H new ATOM 0 HB3 LEU A 15 1.148 -19.541 4.056 1.00 3.02 H new ATOM 0 HG LEU A 15 3.535 -21.206 4.206 1.00 64.35 H new ATOM 0 HD11 LEU A 15 4.977 -19.727 2.852 1.00 10.34 H new ATOM 0 HD12 LEU A 15 3.767 -20.554 1.843 1.00 10.34 H new ATOM 0 HD13 LEU A 15 3.538 -18.846 2.287 1.00 10.34 H new ATOM 0 HD21 LEU A 15 4.462 -19.181 5.220 1.00 63.42 H new ATOM 0 HD22 LEU A 15 3.023 -18.264 4.712 1.00 63.42 H new ATOM 0 HD23 LEU A 15 2.866 -19.582 5.898 1.00 63.42 H new ATOM 288 N PRO A 16 1.755 -23.403 2.307 1.00 44.14 N ATOM 289 CA PRO A 16 2.624 -24.466 1.774 1.00 42.20 C ATOM 290 C PRO A 16 4.026 -23.977 1.405 1.00 11.35 C ATOM 291 O PRO A 16 4.209 -22.803 1.101 1.00 11.15 O ATOM 292 CB PRO A 16 1.871 -24.950 0.528 1.00 21.24 C ATOM 293 CG PRO A 16 1.057 -23.787 0.085 1.00 61.14 C ATOM 294 CD PRO A 16 0.710 -23.020 1.331 1.00 41.24 C ATOM 0 HA PRO A 16 2.800 -25.245 2.516 1.00 42.20 H new ATOM 0 HB2 PRO A 16 2.564 -25.265 -0.252 1.00 21.24 H new ATOM 0 HB3 PRO A 16 1.239 -25.807 0.759 1.00 21.24 H new ATOM 0 HG2 PRO A 16 1.616 -23.164 -0.613 1.00 61.14 H new ATOM 0 HG3 PRO A 16 0.156 -24.117 -0.433 1.00 61.14 H new ATOM 0 HD2 PRO A 16 0.712 -21.945 1.149 1.00 41.24 H new ATOM 0 HD3 PRO A 16 -0.285 -23.280 1.693 1.00 41.24 H new ATOM 302 N SER A 17 4.991 -24.924 1.497 1.00 62.34 N ATOM 303 CA SER A 17 6.455 -24.750 1.276 1.00 45.25 C ATOM 304 C SER A 17 7.168 -24.017 2.434 1.00 62.10 C ATOM 305 O SER A 17 8.347 -24.302 2.683 1.00 22.32 O ATOM 306 CB SER A 17 6.835 -24.120 -0.101 1.00 71.42 C ATOM 307 OG SER A 17 6.797 -22.697 -0.103 1.00 3.25 O ATOM 0 H SER A 17 4.759 -25.887 1.741 1.00 62.34 H new ATOM 0 HA SER A 17 6.828 -25.774 1.255 1.00 45.25 H new ATOM 0 HB2 SER A 17 7.836 -24.449 -0.379 1.00 71.42 H new ATOM 0 HB3 SER A 17 6.153 -24.495 -0.864 1.00 71.42 H new ATOM 0 HG SER A 17 5.957 -22.392 0.299 1.00 3.25 H new ATOM 313 N HIS A 18 6.437 -23.104 3.126 1.00 61.24 N ATOM 314 CA HIS A 18 6.949 -22.254 4.214 1.00 41.22 C ATOM 315 C HIS A 18 7.966 -21.233 3.679 1.00 21.41 C ATOM 316 O HIS A 18 9.114 -21.561 3.369 1.00 75.41 O ATOM 317 CB HIS A 18 7.502 -23.094 5.398 1.00 31.51 C ATOM 318 CG HIS A 18 8.179 -22.307 6.488 1.00 1.32 C ATOM 319 ND1 HIS A 18 7.540 -21.357 7.258 1.00 45.01 N ATOM 320 CD2 HIS A 18 9.463 -22.319 6.901 1.00 54.25 C ATOM 321 CE1 HIS A 18 8.410 -20.826 8.101 1.00 13.42 C ATOM 322 NE2 HIS A 18 9.582 -21.393 7.903 1.00 11.25 N ATOM 0 H HIS A 18 5.449 -22.941 2.931 1.00 61.24 H new ATOM 0 HA HIS A 18 6.111 -21.687 4.620 1.00 41.22 H new ATOM 0 HB2 HIS A 18 6.679 -23.657 5.838 1.00 31.51 H new ATOM 0 HB3 HIS A 18 8.212 -23.822 5.005 1.00 31.51 H new ATOM 0 HD2 HIS A 18 10.253 -22.945 6.512 1.00 54.25 H new ATOM 0 HE1 HIS A 18 8.195 -20.057 8.829 1.00 13.42 H new ATOM 0 HE2 HIS A 18 10.439 -21.178 8.413 1.00 11.25 H new ATOM 331 N VAL A 19 7.534 -19.978 3.600 1.00 23.43 N ATOM 332 CA VAL A 19 8.417 -18.901 3.191 1.00 45.00 C ATOM 333 C VAL A 19 9.250 -18.414 4.382 1.00 14.23 C ATOM 334 O VAL A 19 8.729 -18.202 5.487 1.00 3.43 O ATOM 335 CB VAL A 19 7.655 -17.724 2.508 1.00 51.12 C ATOM 336 CG1 VAL A 19 7.213 -18.129 1.113 1.00 73.51 C ATOM 337 CG2 VAL A 19 6.450 -17.255 3.322 1.00 74.24 C ATOM 0 H VAL A 19 6.580 -19.687 3.814 1.00 23.43 H new ATOM 0 HA VAL A 19 9.091 -19.303 2.435 1.00 45.00 H new ATOM 0 HB VAL A 19 8.349 -16.886 2.447 1.00 51.12 H new ATOM 0 HG11 VAL A 19 6.682 -17.300 0.645 1.00 73.51 H new ATOM 0 HG12 VAL A 19 8.087 -18.384 0.514 1.00 73.51 H new ATOM 0 HG13 VAL A 19 6.552 -18.993 1.177 1.00 73.51 H new ATOM 0 HG21 VAL A 19 5.956 -16.435 2.801 1.00 74.24 H new ATOM 0 HG22 VAL A 19 5.750 -18.081 3.444 1.00 74.24 H new ATOM 0 HG23 VAL A 19 6.783 -16.914 4.302 1.00 74.24 H new ATOM 347 N SER A 20 10.556 -18.306 4.158 1.00 22.24 N ATOM 348 CA SER A 20 11.504 -17.855 5.179 1.00 12.35 C ATOM 349 C SER A 20 11.639 -16.338 5.115 1.00 41.43 C ATOM 350 O SER A 20 11.336 -15.771 4.085 1.00 34.44 O ATOM 351 CB SER A 20 12.877 -18.500 4.943 1.00 32.10 C ATOM 352 OG SER A 20 12.786 -19.907 4.833 1.00 3.34 O ATOM 0 H SER A 20 10.991 -18.529 3.262 1.00 22.24 H new ATOM 0 HA SER A 20 11.135 -18.149 6.162 1.00 12.35 H new ATOM 0 HB2 SER A 20 13.318 -18.092 4.033 1.00 32.10 H new ATOM 0 HB3 SER A 20 13.545 -18.242 5.765 1.00 32.10 H new ATOM 0 HG SER A 20 13.679 -20.282 4.682 1.00 3.34 H new ATOM 358 N SER A 21 12.141 -15.707 6.199 1.00 24.04 N ATOM 359 CA SER A 21 12.232 -14.227 6.331 1.00 12.13 C ATOM 360 C SER A 21 12.951 -13.556 5.140 1.00 13.12 C ATOM 361 O SER A 21 12.471 -12.565 4.606 1.00 34.04 O ATOM 362 CB SER A 21 12.966 -13.884 7.640 1.00 42.51 C ATOM 363 OG SER A 21 13.079 -12.482 7.836 1.00 23.01 O ATOM 0 H SER A 21 12.497 -16.208 7.013 1.00 24.04 H new ATOM 0 HA SER A 21 11.214 -13.838 6.342 1.00 12.13 H new ATOM 0 HB2 SER A 21 12.432 -14.326 8.481 1.00 42.51 H new ATOM 0 HB3 SER A 21 13.961 -14.329 7.625 1.00 42.51 H new ATOM 0 HG SER A 21 12.265 -12.145 8.265 1.00 23.01 H new ATOM 369 N ARG A 22 14.059 -14.171 4.717 1.00 32.31 N ATOM 370 CA ARG A 22 14.908 -13.702 3.610 1.00 0.11 C ATOM 371 C ARG A 22 14.199 -13.810 2.237 1.00 4.12 C ATOM 372 O ARG A 22 14.282 -12.895 1.390 1.00 32.13 O ATOM 373 CB ARG A 22 16.216 -14.530 3.670 1.00 22.43 C ATOM 374 CG ARG A 22 17.067 -14.570 2.400 1.00 64.23 C ATOM 375 CD ARG A 22 16.862 -15.866 1.614 1.00 34.31 C ATOM 376 NE ARG A 22 18.111 -16.623 1.476 1.00 72.54 N ATOM 377 CZ ARG A 22 18.295 -17.889 1.894 1.00 22.21 C ATOM 378 NH1 ARG A 22 17.314 -18.574 2.483 1.00 62.22 N ATOM 379 NH2 ARG A 22 19.479 -18.466 1.713 1.00 15.15 N ATOM 0 H ARG A 22 14.402 -15.031 5.144 1.00 32.31 H new ATOM 0 HA ARG A 22 15.127 -12.640 3.720 1.00 0.11 H new ATOM 0 HB2 ARG A 22 16.831 -14.135 4.478 1.00 22.43 H new ATOM 0 HB3 ARG A 22 15.957 -15.554 3.938 1.00 22.43 H new ATOM 0 HG2 ARG A 22 16.815 -13.719 1.768 1.00 64.23 H new ATOM 0 HG3 ARG A 22 18.119 -14.469 2.665 1.00 64.23 H new ATOM 0 HD2 ARG A 22 16.117 -16.482 2.117 1.00 34.31 H new ATOM 0 HD3 ARG A 22 16.467 -15.633 0.625 1.00 34.31 H new ATOM 0 HE ARG A 22 18.899 -16.155 1.030 1.00 72.54 H new ATOM 0 HH11 ARG A 22 16.402 -18.139 2.624 1.00 62.22 H new ATOM 0 HH12 ARG A 22 17.476 -19.533 2.792 1.00 62.22 H new ATOM 0 HH21 ARG A 22 20.234 -17.950 1.262 1.00 15.15 H new ATOM 0 HH22 ARG A 22 19.632 -19.425 2.025 1.00 15.15 H new ATOM 393 N ASP A 23 13.506 -14.934 2.044 1.00 55.43 N ATOM 394 CA ASP A 23 12.797 -15.238 0.795 1.00 2.03 C ATOM 395 C ASP A 23 11.636 -14.273 0.596 1.00 43.43 C ATOM 396 O ASP A 23 11.446 -13.729 -0.496 1.00 31.05 O ATOM 397 CB ASP A 23 12.295 -16.691 0.796 1.00 64.15 C ATOM 398 CG ASP A 23 13.435 -17.680 0.923 1.00 42.50 C ATOM 399 OD1 ASP A 23 14.010 -18.068 -0.111 1.00 73.55 O ATOM 400 OD2 ASP A 23 13.783 -18.052 2.058 1.00 12.51 O ATOM 0 H ASP A 23 13.419 -15.664 2.752 1.00 55.43 H new ATOM 0 HA ASP A 23 13.494 -15.118 -0.034 1.00 2.03 H new ATOM 0 HB2 ASP A 23 11.597 -16.834 1.621 1.00 64.15 H new ATOM 0 HB3 ASP A 23 11.745 -16.886 -0.125 1.00 64.15 H new ATOM 405 N VAL A 24 10.906 -14.026 1.696 1.00 33.22 N ATOM 406 CA VAL A 24 9.830 -13.035 1.741 1.00 0.05 C ATOM 407 C VAL A 24 10.398 -11.632 1.517 1.00 70.45 C ATOM 408 O VAL A 24 9.804 -10.843 0.793 1.00 31.14 O ATOM 409 CB VAL A 24 9.083 -13.050 3.105 1.00 70.40 C ATOM 410 CG1 VAL A 24 7.903 -12.123 3.103 1.00 63.44 C ATOM 411 CG2 VAL A 24 8.587 -14.416 3.460 1.00 12.40 C ATOM 0 H VAL A 24 11.050 -14.513 2.581 1.00 33.22 H new ATOM 0 HA VAL A 24 9.124 -13.294 0.952 1.00 0.05 H new ATOM 0 HB VAL A 24 9.816 -12.722 3.842 1.00 70.40 H new ATOM 0 HG11 VAL A 24 7.408 -12.162 4.073 1.00 63.44 H new ATOM 0 HG12 VAL A 24 8.240 -11.105 2.909 1.00 63.44 H new ATOM 0 HG13 VAL A 24 7.202 -12.428 2.326 1.00 63.44 H new ATOM 0 HG21 VAL A 24 8.072 -14.378 4.420 1.00 12.40 H new ATOM 0 HG22 VAL A 24 7.897 -14.764 2.691 1.00 12.40 H new ATOM 0 HG23 VAL A 24 9.430 -15.103 3.528 1.00 12.40 H new ATOM 421 N GLU A 25 11.568 -11.359 2.120 1.00 62.13 N ATOM 422 CA GLU A 25 12.231 -10.062 2.004 1.00 15.43 C ATOM 423 C GLU A 25 12.531 -9.724 0.541 1.00 12.54 C ATOM 424 O GLU A 25 12.137 -8.669 0.101 1.00 1.12 O ATOM 425 CB GLU A 25 13.507 -10.030 2.865 1.00 10.21 C ATOM 426 CG GLU A 25 14.214 -8.677 2.913 1.00 21.54 C ATOM 427 CD GLU A 25 15.002 -8.473 4.190 1.00 34.32 C ATOM 428 OE1 GLU A 25 14.380 -8.400 5.273 1.00 41.21 O ATOM 429 OE2 GLU A 25 16.242 -8.377 4.110 1.00 43.22 O ATOM 0 H GLU A 25 12.073 -12.032 2.697 1.00 62.13 H new ATOM 0 HA GLU A 25 11.553 -9.295 2.380 1.00 15.43 H new ATOM 0 HB2 GLU A 25 13.250 -10.326 3.882 1.00 10.21 H new ATOM 0 HB3 GLU A 25 14.205 -10.775 2.483 1.00 10.21 H new ATOM 0 HG2 GLU A 25 14.886 -8.593 2.059 1.00 21.54 H new ATOM 0 HG3 GLU A 25 13.475 -7.882 2.816 1.00 21.54 H new ATOM 436 N ASN A 26 13.149 -10.637 -0.227 1.00 61.53 N ATOM 437 CA ASN A 26 13.487 -10.329 -1.638 1.00 12.33 C ATOM 438 C ASN A 26 12.276 -10.414 -2.601 1.00 71.10 C ATOM 439 O ASN A 26 12.044 -9.474 -3.441 1.00 63.32 O ATOM 440 CB ASN A 26 14.648 -11.200 -2.140 1.00 43.10 C ATOM 441 CG ASN A 26 15.893 -10.378 -2.417 1.00 22.22 C ATOM 442 OD1 ASN A 26 16.122 -9.334 -1.798 1.00 63.13 O ATOM 443 ND2 ASN A 26 16.696 -10.837 -3.363 1.00 61.31 N ATOM 0 H ASN A 26 13.420 -11.569 0.087 1.00 61.53 H new ATOM 0 HA ASN A 26 13.805 -9.287 -1.642 1.00 12.33 H new ATOM 0 HB2 ASN A 26 14.876 -11.965 -1.397 1.00 43.10 H new ATOM 0 HB3 ASN A 26 14.346 -11.719 -3.050 1.00 43.10 H new ATOM 0 HD21 ASN A 26 17.543 -10.324 -3.606 1.00 61.31 H new ATOM 0 HD22 ASN A 26 16.468 -11.704 -3.849 1.00 61.31 H new ATOM 450 N GLU A 27 11.482 -11.511 -2.477 1.00 12.22 N ATOM 451 CA GLU A 27 10.309 -11.725 -3.344 1.00 21.20 C ATOM 452 C GLU A 27 9.323 -10.575 -3.195 1.00 24.10 C ATOM 453 O GLU A 27 8.880 -10.015 -4.184 1.00 24.34 O ATOM 454 CB GLU A 27 9.618 -13.068 -3.039 1.00 42.35 C ATOM 455 CG GLU A 27 8.448 -13.383 -3.975 1.00 71.24 C ATOM 456 CD GLU A 27 7.823 -14.747 -3.744 1.00 43.23 C ATOM 457 OE1 GLU A 27 7.090 -14.900 -2.747 1.00 33.43 O ATOM 458 OE2 GLU A 27 8.024 -15.654 -4.587 1.00 2.34 O ATOM 0 H GLU A 27 11.637 -12.249 -1.790 1.00 12.22 H new ATOM 0 HA GLU A 27 10.660 -11.759 -4.375 1.00 21.20 H new ATOM 0 HB2 GLU A 27 10.354 -13.869 -3.108 1.00 42.35 H new ATOM 0 HB3 GLU A 27 9.256 -13.056 -2.011 1.00 42.35 H new ATOM 0 HG2 GLU A 27 7.681 -12.618 -3.852 1.00 71.24 H new ATOM 0 HG3 GLU A 27 8.795 -13.324 -5.007 1.00 71.24 H new ATOM 465 N PHE A 28 9.075 -10.172 -1.957 1.00 53.44 N ATOM 466 CA PHE A 28 8.207 -9.039 -1.692 1.00 11.05 C ATOM 467 C PHE A 28 8.921 -7.682 -1.869 1.00 33.02 C ATOM 468 O PHE A 28 8.235 -6.697 -2.033 1.00 33.32 O ATOM 469 CB PHE A 28 7.489 -9.157 -0.338 1.00 54.22 C ATOM 470 CG PHE A 28 6.287 -10.063 -0.384 1.00 53.23 C ATOM 471 CD1 PHE A 28 6.417 -11.439 -0.257 1.00 52.44 C ATOM 472 CD2 PHE A 28 5.023 -9.525 -0.547 1.00 74.15 C ATOM 473 CE1 PHE A 28 5.307 -12.256 -0.292 1.00 14.24 C ATOM 474 CE2 PHE A 28 3.912 -10.341 -0.585 1.00 51.43 C ATOM 475 CZ PHE A 28 4.053 -11.709 -0.454 1.00 1.41 C ATOM 0 H PHE A 28 9.463 -10.613 -1.123 1.00 53.44 H new ATOM 0 HA PHE A 28 7.430 -9.068 -2.456 1.00 11.05 H new ATOM 0 HB2 PHE A 28 8.191 -9.532 0.407 1.00 54.22 H new ATOM 0 HB3 PHE A 28 7.177 -8.165 -0.011 1.00 54.22 H new ATOM 0 HD1 PHE A 28 7.397 -11.874 -0.130 1.00 52.44 H new ATOM 0 HD2 PHE A 28 4.905 -8.456 -0.645 1.00 74.15 H new ATOM 0 HE1 PHE A 28 5.421 -13.325 -0.192 1.00 14.24 H new ATOM 0 HE2 PHE A 28 2.931 -9.910 -0.717 1.00 51.43 H new ATOM 0 HZ PHE A 28 3.183 -12.348 -0.479 1.00 1.41 H new ATOM 485 N ARG A 29 10.290 -7.615 -1.819 1.00 30.01 N ATOM 486 CA ARG A 29 11.003 -6.347 -2.151 1.00 71.13 C ATOM 487 C ARG A 29 10.842 -5.979 -3.622 1.00 33.10 C ATOM 488 O ARG A 29 10.886 -4.790 -3.946 1.00 11.41 O ATOM 489 CB ARG A 29 12.515 -6.307 -1.750 1.00 13.44 C ATOM 490 CG ARG A 29 13.547 -6.754 -2.803 1.00 41.54 C ATOM 491 CD ARG A 29 14.319 -5.585 -3.424 1.00 22.24 C ATOM 492 NE ARG A 29 15.722 -5.571 -3.008 1.00 65.12 N ATOM 493 CZ ARG A 29 16.734 -5.081 -3.745 1.00 62.33 C ATOM 494 NH1 ARG A 29 16.513 -4.554 -4.953 1.00 21.52 N ATOM 495 NH2 ARG A 29 17.975 -5.134 -3.269 1.00 62.33 N ATOM 0 H ARG A 29 10.897 -8.394 -1.562 1.00 30.01 H new ATOM 0 HA ARG A 29 10.512 -5.599 -1.528 1.00 71.13 H new ATOM 0 HB2 ARG A 29 12.757 -5.286 -1.456 1.00 13.44 H new ATOM 0 HB3 ARG A 29 12.644 -6.933 -0.867 1.00 13.44 H new ATOM 0 HG2 ARG A 29 14.254 -7.443 -2.340 1.00 41.54 H new ATOM 0 HG3 ARG A 29 13.036 -7.304 -3.593 1.00 41.54 H new ATOM 0 HD2 ARG A 29 14.264 -5.651 -4.511 1.00 22.24 H new ATOM 0 HD3 ARG A 29 13.847 -4.646 -3.137 1.00 22.24 H new ATOM 0 HE ARG A 29 15.948 -5.961 -2.093 1.00 65.12 H new ATOM 0 HH11 ARG A 29 15.565 -4.519 -5.329 1.00 21.52 H new ATOM 0 HH12 ARG A 29 17.292 -4.186 -5.499 1.00 21.52 H new ATOM 0 HH21 ARG A 29 18.152 -5.544 -2.352 1.00 62.33 H new ATOM 0 HH22 ARG A 29 18.749 -4.765 -3.821 1.00 62.33 H new ATOM 509 N LYS A 30 10.681 -6.967 -4.537 1.00 35.41 N ATOM 510 CA LYS A 30 10.379 -6.558 -5.929 1.00 5.52 C ATOM 511 C LYS A 30 8.958 -5.962 -6.068 1.00 74.22 C ATOM 512 O LYS A 30 8.745 -5.087 -6.908 1.00 52.33 O ATOM 513 CB LYS A 30 10.632 -7.661 -6.995 1.00 21.24 C ATOM 514 CG LYS A 30 9.553 -8.737 -7.137 1.00 1.14 C ATOM 515 CD LYS A 30 8.947 -8.816 -8.553 1.00 43.31 C ATOM 516 CE LYS A 30 8.188 -7.548 -8.942 1.00 3.12 C ATOM 517 NZ LYS A 30 7.484 -7.671 -10.236 1.00 65.14 N ATOM 0 H LYS A 30 10.748 -7.969 -4.361 1.00 35.41 H new ATOM 0 HA LYS A 30 11.102 -5.771 -6.144 1.00 5.52 H new ATOM 0 HB2 LYS A 30 10.759 -7.176 -7.963 1.00 21.24 H new ATOM 0 HB3 LYS A 30 11.575 -8.153 -6.758 1.00 21.24 H new ATOM 0 HG2 LYS A 30 9.981 -9.706 -6.879 1.00 1.14 H new ATOM 0 HG3 LYS A 30 8.756 -8.539 -6.420 1.00 1.14 H new ATOM 0 HD2 LYS A 30 9.744 -8.993 -9.275 1.00 43.31 H new ATOM 0 HD3 LYS A 30 8.272 -9.670 -8.607 1.00 43.31 H new ATOM 0 HE2 LYS A 30 7.465 -7.310 -8.162 1.00 3.12 H new ATOM 0 HE3 LYS A 30 8.887 -6.714 -8.993 1.00 3.12 H new ATOM 0 HZ1 LYS A 30 6.988 -6.782 -10.447 1.00 65.14 H new ATOM 0 HZ2 LYS A 30 8.173 -7.870 -10.989 1.00 65.14 H new ATOM 0 HZ3 LYS A 30 6.795 -8.448 -10.184 1.00 65.14 H new ATOM 531 N TYR A 31 8.002 -6.414 -5.253 1.00 23.12 N ATOM 532 CA TYR A 31 6.613 -5.951 -5.389 1.00 53.41 C ATOM 533 C TYR A 31 6.345 -4.661 -4.588 1.00 20.34 C ATOM 534 O TYR A 31 5.621 -3.790 -5.053 1.00 52.01 O ATOM 535 CB TYR A 31 5.628 -7.055 -4.976 1.00 5.13 C ATOM 536 CG TYR A 31 5.620 -8.254 -5.902 1.00 22.30 C ATOM 537 CD1 TYR A 31 4.994 -8.199 -7.140 1.00 33.45 C ATOM 538 CD2 TYR A 31 6.249 -9.436 -5.544 1.00 3.35 C ATOM 539 CE1 TYR A 31 4.991 -9.291 -7.985 1.00 33.41 C ATOM 540 CE2 TYR A 31 6.251 -10.535 -6.381 1.00 23.13 C ATOM 541 CZ TYR A 31 5.630 -10.453 -7.602 1.00 41.15 C ATOM 542 OH TYR A 31 5.644 -11.530 -8.446 1.00 22.15 O ATOM 0 H TYR A 31 8.156 -7.088 -4.503 1.00 23.12 H new ATOM 0 HA TYR A 31 6.458 -5.716 -6.442 1.00 53.41 H new ATOM 0 HB2 TYR A 31 5.875 -7.389 -3.968 1.00 5.13 H new ATOM 0 HB3 TYR A 31 4.623 -6.634 -4.935 1.00 5.13 H new ATOM 0 HD1 TYR A 31 4.502 -7.288 -7.447 1.00 33.45 H new ATOM 0 HD2 TYR A 31 6.749 -9.499 -4.589 1.00 3.35 H new ATOM 0 HE1 TYR A 31 4.491 -9.236 -8.941 1.00 33.41 H new ATOM 0 HE2 TYR A 31 6.737 -11.450 -6.077 1.00 23.13 H new ATOM 0 HH TYR A 31 6.135 -12.267 -8.027 1.00 22.15 H new ATOM 552 N GLY A 32 6.950 -4.538 -3.407 1.00 31.21 N ATOM 553 CA GLY A 32 6.860 -3.314 -2.624 1.00 43.00 C ATOM 554 C GLY A 32 8.157 -3.020 -1.893 1.00 11.42 C ATOM 555 O GLY A 32 9.008 -3.888 -1.775 1.00 72.35 O ATOM 0 H GLY A 32 7.508 -5.274 -2.974 1.00 31.21 H new ATOM 0 HA2 GLY A 32 6.615 -2.479 -3.280 1.00 43.00 H new ATOM 0 HA3 GLY A 32 6.047 -3.402 -1.903 1.00 43.00 H new ATOM 559 N ASN A 33 8.316 -1.806 -1.396 1.00 31.35 N ATOM 560 CA ASN A 33 9.534 -1.452 -0.654 1.00 61.22 C ATOM 561 C ASN A 33 9.451 -1.957 0.789 1.00 54.05 C ATOM 562 O ASN A 33 8.810 -1.336 1.623 1.00 63.12 O ATOM 563 CB ASN A 33 9.765 0.061 -0.690 1.00 21.14 C ATOM 564 CG ASN A 33 10.265 0.557 -2.035 1.00 54.12 C ATOM 565 OD1 ASN A 33 11.019 -0.131 -2.726 1.00 31.14 O ATOM 566 ND2 ASN A 33 9.840 1.751 -2.422 1.00 11.43 N ATOM 0 H ASN A 33 7.634 -1.053 -1.485 1.00 31.35 H new ATOM 0 HA ASN A 33 10.384 -1.937 -1.135 1.00 61.22 H new ATOM 0 HB2 ASN A 33 8.833 0.570 -0.446 1.00 21.14 H new ATOM 0 HB3 ASN A 33 10.487 0.330 0.081 1.00 21.14 H new ATOM 0 HD21 ASN A 33 10.137 2.131 -3.321 1.00 11.43 H new ATOM 0 HD22 ASN A 33 9.216 2.290 -1.821 1.00 11.43 H new ATOM 573 N ILE A 34 10.088 -3.098 1.071 1.00 64.31 N ATOM 574 CA ILE A 34 9.944 -3.783 2.359 1.00 60.41 C ATOM 575 C ILE A 34 10.872 -3.183 3.431 1.00 52.32 C ATOM 576 O ILE A 34 12.052 -2.901 3.190 1.00 1.03 O ATOM 577 CB ILE A 34 10.116 -5.335 2.198 1.00 51.13 C ATOM 578 CG1 ILE A 34 9.962 -6.094 3.545 1.00 72.10 C ATOM 579 CG2 ILE A 34 11.430 -5.674 1.505 1.00 54.43 C ATOM 580 CD1 ILE A 34 11.262 -6.425 4.288 1.00 13.21 C ATOM 0 H ILE A 34 10.714 -3.570 0.418 1.00 64.31 H new ATOM 0 HA ILE A 34 8.928 -3.618 2.716 1.00 60.41 H new ATOM 0 HB ILE A 34 9.304 -5.680 1.558 1.00 51.13 H new ATOM 0 HG12 ILE A 34 9.333 -5.497 4.205 1.00 72.10 H new ATOM 0 HG13 ILE A 34 9.430 -7.026 3.354 1.00 72.10 H new ATOM 0 HG21 ILE A 34 11.521 -6.756 1.407 1.00 54.43 H new ATOM 0 HG22 ILE A 34 11.448 -5.218 0.515 1.00 54.43 H new ATOM 0 HG23 ILE A 34 12.262 -5.291 2.096 1.00 54.43 H new ATOM 0 HD11 ILE A 34 11.028 -6.954 5.212 1.00 13.21 H new ATOM 0 HD12 ILE A 34 11.891 -7.055 3.658 1.00 13.21 H new ATOM 0 HD13 ILE A 34 11.792 -5.502 4.522 1.00 13.21 H new ATOM 592 N LEU A 35 10.273 -2.935 4.596 1.00 41.02 N ATOM 593 CA LEU A 35 10.961 -2.347 5.741 1.00 14.31 C ATOM 594 C LEU A 35 11.295 -3.413 6.804 1.00 60.32 C ATOM 595 O LEU A 35 12.374 -3.377 7.408 1.00 42.45 O ATOM 596 CB LEU A 35 10.103 -1.208 6.341 1.00 74.51 C ATOM 597 CG LEU A 35 10.332 0.214 5.762 1.00 35.22 C ATOM 598 CD1 LEU A 35 10.097 0.288 4.260 1.00 15.44 C ATOM 599 CD2 LEU A 35 9.433 1.217 6.458 1.00 15.32 C ATOM 0 H LEU A 35 9.289 -3.139 4.771 1.00 41.02 H new ATOM 0 HA LEU A 35 11.907 -1.928 5.399 1.00 14.31 H new ATOM 0 HB2 LEU A 35 9.053 -1.466 6.206 1.00 74.51 H new ATOM 0 HB3 LEU A 35 10.287 -1.172 7.415 1.00 74.51 H new ATOM 0 HG LEU A 35 11.379 0.455 5.943 1.00 35.22 H new ATOM 0 HD11 LEU A 35 10.273 1.307 3.914 1.00 15.44 H new ATOM 0 HD12 LEU A 35 10.781 -0.391 3.751 1.00 15.44 H new ATOM 0 HD13 LEU A 35 9.069 0.002 4.038 1.00 15.44 H new ATOM 0 HD21 LEU A 35 9.605 2.210 6.042 1.00 15.32 H new ATOM 0 HD22 LEU A 35 8.390 0.936 6.309 1.00 15.32 H new ATOM 0 HD23 LEU A 35 9.657 1.227 7.525 1.00 15.32 H new ATOM 611 N LYS A 36 10.374 -4.365 7.012 1.00 42.42 N ATOM 612 CA LYS A 36 10.541 -5.434 8.009 1.00 45.21 C ATOM 613 C LYS A 36 9.814 -6.716 7.553 1.00 25.05 C ATOM 614 O LYS A 36 8.671 -6.657 7.131 1.00 44.14 O ATOM 615 CB LYS A 36 10.009 -4.915 9.375 1.00 34.44 C ATOM 616 CG LYS A 36 10.076 -5.881 10.570 1.00 0.42 C ATOM 617 CD LYS A 36 8.802 -6.724 10.740 1.00 43.34 C ATOM 618 CE LYS A 36 8.275 -6.695 12.167 1.00 44.21 C ATOM 619 NZ LYS A 36 7.759 -5.352 12.539 1.00 1.14 N ATOM 0 H LYS A 36 9.495 -4.416 6.496 1.00 42.42 H new ATOM 0 HA LYS A 36 11.594 -5.695 8.117 1.00 45.21 H new ATOM 0 HB2 LYS A 36 10.568 -4.016 9.636 1.00 34.44 H new ATOM 0 HB3 LYS A 36 8.970 -4.616 9.241 1.00 34.44 H new ATOM 0 HG2 LYS A 36 10.930 -6.547 10.443 1.00 0.42 H new ATOM 0 HG3 LYS A 36 10.250 -5.309 11.482 1.00 0.42 H new ATOM 0 HD2 LYS A 36 8.032 -6.354 10.063 1.00 43.34 H new ATOM 0 HD3 LYS A 36 9.010 -7.755 10.453 1.00 43.34 H new ATOM 0 HE2 LYS A 36 7.480 -7.432 12.276 1.00 44.21 H new ATOM 0 HE3 LYS A 36 9.071 -6.981 12.854 1.00 44.21 H new ATOM 0 HZ1 LYS A 36 7.215 -5.422 13.422 1.00 1.14 H new ATOM 0 HZ2 LYS A 36 8.557 -4.699 12.674 1.00 1.14 H new ATOM 0 HZ3 LYS A 36 7.144 -4.994 11.781 1.00 1.14 H new ATOM 633 N CYS A 37 10.486 -7.868 7.607 1.00 73.10 N ATOM 634 CA CYS A 37 9.816 -9.156 7.375 1.00 63.43 C ATOM 635 C CYS A 37 9.967 -10.064 8.583 1.00 75.31 C ATOM 636 O CYS A 37 11.084 -10.337 9.033 1.00 55.13 O ATOM 637 CB CYS A 37 10.343 -9.849 6.116 1.00 31.24 C ATOM 638 SG CYS A 37 9.436 -9.403 4.624 1.00 62.13 S ATOM 0 H CYS A 37 11.484 -7.939 7.807 1.00 73.10 H new ATOM 0 HA CYS A 37 8.757 -8.950 7.221 1.00 63.43 H new ATOM 0 HB2 CYS A 37 11.395 -9.595 5.983 1.00 31.24 H new ATOM 0 HB3 CYS A 37 10.291 -10.929 6.255 1.00 31.24 H new ATOM 0 HG CYS A 37 8.636 -8.412 4.883 1.00 62.13 H new ATOM 644 N ASP A 38 8.836 -10.531 9.117 1.00 10.13 N ATOM 645 CA ASP A 38 8.863 -11.386 10.305 1.00 1.30 C ATOM 646 C ASP A 38 8.053 -12.657 10.072 1.00 73.53 C ATOM 647 O ASP A 38 6.954 -12.599 9.565 1.00 25.53 O ATOM 648 CB ASP A 38 8.345 -10.599 11.518 1.00 43.52 C ATOM 649 CG ASP A 38 8.283 -11.421 12.794 1.00 35.34 C ATOM 650 OD1 ASP A 38 9.345 -11.672 13.401 1.00 24.03 O ATOM 651 OD2 ASP A 38 7.168 -11.798 13.193 1.00 14.31 O ATOM 0 H ASP A 38 7.904 -10.335 8.752 1.00 10.13 H new ATOM 0 HA ASP A 38 9.890 -11.691 10.507 1.00 1.30 H new ATOM 0 HB2 ASP A 38 8.990 -9.736 11.683 1.00 43.52 H new ATOM 0 HB3 ASP A 38 7.350 -10.216 11.294 1.00 43.52 H new ATOM 656 N VAL A 39 8.613 -13.809 10.420 1.00 43.43 N ATOM 657 CA VAL A 39 7.914 -15.078 10.247 1.00 22.31 C ATOM 658 C VAL A 39 7.712 -15.796 11.612 1.00 40.21 C ATOM 659 O VAL A 39 8.668 -16.100 12.333 1.00 25.12 O ATOM 660 CB VAL A 39 8.617 -15.969 9.152 1.00 24.05 C ATOM 661 CG1 VAL A 39 10.102 -16.183 9.424 1.00 25.11 C ATOM 662 CG2 VAL A 39 7.919 -17.310 8.975 1.00 35.41 C ATOM 0 H VAL A 39 9.547 -13.892 10.823 1.00 43.43 H new ATOM 0 HA VAL A 39 6.912 -14.880 9.867 1.00 22.31 H new ATOM 0 HB VAL A 39 8.531 -15.408 8.222 1.00 24.05 H new ATOM 0 HG11 VAL A 39 10.530 -16.803 8.637 1.00 25.11 H new ATOM 0 HG12 VAL A 39 10.611 -15.219 9.444 1.00 25.11 H new ATOM 0 HG13 VAL A 39 10.228 -16.680 10.386 1.00 25.11 H new ATOM 0 HG21 VAL A 39 8.436 -17.891 8.212 1.00 35.41 H new ATOM 0 HG22 VAL A 39 7.934 -17.855 9.919 1.00 35.41 H new ATOM 0 HG23 VAL A 39 6.886 -17.145 8.668 1.00 35.41 H new ATOM 672 N LYS A 40 6.440 -16.034 11.961 1.00 23.31 N ATOM 673 CA LYS A 40 6.061 -16.670 13.237 1.00 51.34 C ATOM 674 C LYS A 40 5.549 -18.094 12.999 1.00 5.24 C ATOM 675 O LYS A 40 5.154 -18.430 11.892 1.00 51.24 O ATOM 676 CB LYS A 40 4.953 -15.861 13.932 1.00 21.43 C ATOM 677 CG LYS A 40 5.352 -14.458 14.382 1.00 22.53 C ATOM 678 CD LYS A 40 6.324 -14.476 15.555 1.00 32.10 C ATOM 679 CE LYS A 40 6.536 -13.072 16.104 1.00 0.44 C ATOM 680 NZ LYS A 40 7.500 -13.049 17.230 1.00 74.53 N ATOM 0 H LYS A 40 5.644 -15.793 11.370 1.00 23.31 H new ATOM 0 HA LYS A 40 6.948 -16.701 13.869 1.00 51.34 H new ATOM 0 HB2 LYS A 40 4.105 -15.779 13.252 1.00 21.43 H new ATOM 0 HB3 LYS A 40 4.610 -16.420 14.803 1.00 21.43 H new ATOM 0 HG2 LYS A 40 5.807 -13.927 13.546 1.00 22.53 H new ATOM 0 HG3 LYS A 40 4.458 -13.902 14.664 1.00 22.53 H new ATOM 0 HD2 LYS A 40 5.939 -15.125 16.342 1.00 32.10 H new ATOM 0 HD3 LYS A 40 7.279 -14.894 15.236 1.00 32.10 H new ATOM 0 HE2 LYS A 40 6.897 -12.423 15.306 1.00 0.44 H new ATOM 0 HE3 LYS A 40 5.581 -12.666 16.438 1.00 0.44 H new ATOM 0 HZ1 LYS A 40 7.612 -12.073 17.571 1.00 74.53 H new ATOM 0 HZ2 LYS A 40 7.145 -13.647 18.003 1.00 74.53 H new ATOM 0 HZ3 LYS A 40 8.420 -13.411 16.907 1.00 74.53 H new ATOM 694 N LYS A 41 5.596 -18.943 14.025 1.00 34.24 N ATOM 695 CA LYS A 41 5.007 -20.285 13.938 1.00 73.13 C ATOM 696 C LYS A 41 4.155 -20.595 15.179 1.00 50.31 C ATOM 697 O LYS A 41 4.416 -20.065 16.261 1.00 33.34 O ATOM 698 CB LYS A 41 6.092 -21.376 13.697 1.00 1.34 C ATOM 699 CG LYS A 41 6.877 -21.866 14.934 1.00 60.55 C ATOM 700 CD LYS A 41 7.847 -20.839 15.538 1.00 61.33 C ATOM 701 CE LYS A 41 8.972 -20.464 14.577 1.00 21.35 C ATOM 702 NZ LYS A 41 10.081 -19.761 15.270 1.00 34.23 N ATOM 0 H LYS A 41 6.032 -18.730 14.922 1.00 34.24 H new ATOM 0 HA LYS A 41 4.346 -20.299 13.072 1.00 73.13 H new ATOM 0 HB2 LYS A 41 5.609 -22.239 13.238 1.00 1.34 H new ATOM 0 HB3 LYS A 41 6.808 -20.988 12.972 1.00 1.34 H new ATOM 0 HG2 LYS A 41 6.164 -22.165 15.702 1.00 60.55 H new ATOM 0 HG3 LYS A 41 7.441 -22.757 14.658 1.00 60.55 H new ATOM 0 HD2 LYS A 41 7.295 -19.941 15.814 1.00 61.33 H new ATOM 0 HD3 LYS A 41 8.276 -21.244 16.455 1.00 61.33 H new ATOM 0 HE2 LYS A 41 9.356 -21.365 14.099 1.00 21.35 H new ATOM 0 HE3 LYS A 41 8.576 -19.827 13.786 1.00 21.35 H new ATOM 0 HZ1 LYS A 41 10.825 -19.524 14.583 1.00 34.23 H new ATOM 0 HZ2 LYS A 41 9.720 -18.888 15.705 1.00 34.23 H new ATOM 0 HZ3 LYS A 41 10.476 -20.378 16.008 1.00 34.23 H new ATOM 716 N THR A 42 3.117 -21.418 15.004 1.00 52.21 N ATOM 717 CA THR A 42 2.336 -21.914 16.139 1.00 52.23 C ATOM 718 C THR A 42 2.749 -23.362 16.483 1.00 11.53 C ATOM 719 O THR A 42 3.422 -24.031 15.690 1.00 23.41 O ATOM 720 CB THR A 42 0.789 -21.802 15.887 1.00 30.22 C ATOM 721 OG1 THR A 42 0.037 -22.139 17.062 1.00 34.13 O ATOM 722 CG2 THR A 42 0.333 -22.683 14.732 1.00 51.24 C ATOM 0 H THR A 42 2.800 -21.752 14.094 1.00 52.21 H new ATOM 0 HA THR A 42 2.557 -21.279 16.997 1.00 52.23 H new ATOM 0 HB THR A 42 0.599 -20.760 15.627 1.00 30.22 H new ATOM 0 HG1 THR A 42 -0.921 -22.058 16.872 1.00 34.13 H new ATOM 0 HG21 THR A 42 -0.743 -22.574 14.594 1.00 51.24 H new ATOM 0 HG22 THR A 42 0.848 -22.383 13.820 1.00 51.24 H new ATOM 0 HG23 THR A 42 0.566 -23.724 14.954 1.00 51.24 H new ATOM 730 N VAL A 43 2.319 -23.825 17.664 1.00 14.25 N ATOM 731 CA VAL A 43 2.601 -25.180 18.177 1.00 62.34 C ATOM 732 C VAL A 43 1.728 -26.247 17.454 1.00 33.43 C ATOM 733 O VAL A 43 2.012 -27.446 17.510 1.00 20.33 O ATOM 734 CB VAL A 43 2.365 -25.229 19.732 1.00 15.51 C ATOM 735 CG1 VAL A 43 2.908 -26.508 20.362 1.00 70.25 C ATOM 736 CG2 VAL A 43 2.989 -24.012 20.423 1.00 72.42 C ATOM 0 H VAL A 43 1.756 -23.263 18.303 1.00 14.25 H new ATOM 0 HA VAL A 43 3.646 -25.413 17.973 1.00 62.34 H new ATOM 0 HB VAL A 43 1.285 -25.214 19.879 1.00 15.51 H new ATOM 0 HG11 VAL A 43 2.720 -26.493 21.436 1.00 70.25 H new ATOM 0 HG12 VAL A 43 2.411 -27.371 19.919 1.00 70.25 H new ATOM 0 HG13 VAL A 43 3.981 -26.575 20.182 1.00 70.25 H new ATOM 0 HG21 VAL A 43 2.811 -24.072 21.497 1.00 72.42 H new ATOM 0 HG22 VAL A 43 4.062 -23.997 20.234 1.00 72.42 H new ATOM 0 HG23 VAL A 43 2.539 -23.100 20.031 1.00 72.42 H new ATOM 746 N SER A 44 0.698 -25.779 16.730 1.00 25.13 N ATOM 747 CA SER A 44 -0.209 -26.649 15.973 1.00 74.22 C ATOM 748 C SER A 44 0.446 -27.156 14.669 1.00 22.33 C ATOM 749 O SER A 44 -0.050 -28.093 14.039 1.00 24.21 O ATOM 750 CB SER A 44 -1.505 -25.880 15.667 1.00 11.44 C ATOM 751 OG SER A 44 -2.512 -26.723 15.141 1.00 24.41 O ATOM 0 H SER A 44 0.473 -24.787 16.655 1.00 25.13 H new ATOM 0 HA SER A 44 -0.438 -27.527 16.578 1.00 74.22 H new ATOM 0 HB2 SER A 44 -1.869 -25.406 16.579 1.00 11.44 H new ATOM 0 HB3 SER A 44 -1.293 -25.082 14.956 1.00 11.44 H new ATOM 0 HG SER A 44 -2.096 -27.466 14.656 1.00 24.41 H new ATOM 757 N GLY A 45 1.579 -26.555 14.297 1.00 75.04 N ATOM 758 CA GLY A 45 2.311 -26.989 13.119 1.00 15.10 C ATOM 759 C GLY A 45 2.159 -26.059 11.931 1.00 22.41 C ATOM 760 O GLY A 45 2.790 -26.269 10.894 1.00 72.32 O ATOM 0 H GLY A 45 2.002 -25.772 14.795 1.00 75.04 H new ATOM 0 HA2 GLY A 45 3.368 -27.074 13.370 1.00 15.10 H new ATOM 0 HA3 GLY A 45 1.969 -27.985 12.836 1.00 15.10 H new ATOM 764 N ALA A 46 1.334 -25.028 12.083 1.00 72.13 N ATOM 765 CA ALA A 46 1.134 -24.038 11.035 1.00 33.23 C ATOM 766 C ALA A 46 2.145 -22.900 11.157 1.00 20.25 C ATOM 767 O ALA A 46 2.641 -22.602 12.249 1.00 23.33 O ATOM 768 CB ALA A 46 -0.290 -23.503 11.075 1.00 53.12 C ATOM 0 H ALA A 46 0.790 -24.857 12.929 1.00 72.13 H new ATOM 0 HA ALA A 46 1.293 -24.523 10.072 1.00 33.23 H new ATOM 0 HB1 ALA A 46 -0.423 -22.764 10.285 1.00 53.12 H new ATOM 0 HB2 ALA A 46 -0.991 -24.324 10.926 1.00 53.12 H new ATOM 0 HB3 ALA A 46 -0.477 -23.038 12.043 1.00 53.12 H new ATOM 774 N ALA A 47 2.444 -22.277 10.029 1.00 24.42 N ATOM 775 CA ALA A 47 3.428 -21.212 9.962 1.00 30.04 C ATOM 776 C ALA A 47 2.820 -19.975 9.321 1.00 14.04 C ATOM 777 O ALA A 47 1.956 -20.083 8.452 1.00 14.14 O ATOM 778 CB ALA A 47 4.663 -21.680 9.205 1.00 32.44 C ATOM 0 H ALA A 47 2.010 -22.497 9.133 1.00 24.42 H new ATOM 0 HA ALA A 47 3.737 -20.948 10.974 1.00 30.04 H new ATOM 0 HB1 ALA A 47 5.392 -20.871 9.163 1.00 32.44 H new ATOM 0 HB2 ALA A 47 5.101 -22.537 9.717 1.00 32.44 H new ATOM 0 HB3 ALA A 47 4.381 -21.968 8.192 1.00 32.44 H new ATOM 784 N PHE A 48 3.293 -18.808 9.734 1.00 20.34 N ATOM 785 CA PHE A 48 2.674 -17.543 9.356 1.00 13.43 C ATOM 786 C PHE A 48 3.746 -16.563 8.938 1.00 45.24 C ATOM 787 O PHE A 48 4.856 -16.607 9.449 1.00 63.44 O ATOM 788 CB PHE A 48 1.933 -16.883 10.544 1.00 44.31 C ATOM 789 CG PHE A 48 1.147 -17.803 11.438 1.00 12.13 C ATOM 790 CD1 PHE A 48 -0.102 -18.279 11.063 1.00 44.31 C ATOM 791 CD2 PHE A 48 1.665 -18.190 12.660 1.00 11.54 C ATOM 792 CE1 PHE A 48 -0.811 -19.120 11.893 1.00 23.22 C ATOM 793 CE2 PHE A 48 0.960 -19.025 13.490 1.00 34.11 C ATOM 794 CZ PHE A 48 -0.279 -19.495 13.106 1.00 41.52 C ATOM 0 H PHE A 48 4.110 -18.710 10.336 1.00 20.34 H new ATOM 0 HA PHE A 48 1.972 -17.765 8.552 1.00 13.43 H new ATOM 0 HB2 PHE A 48 2.667 -16.358 11.155 1.00 44.31 H new ATOM 0 HB3 PHE A 48 1.253 -16.130 10.146 1.00 44.31 H new ATOM 0 HD1 PHE A 48 -0.522 -17.987 10.112 1.00 44.31 H new ATOM 0 HD2 PHE A 48 2.637 -17.831 12.965 1.00 11.54 H new ATOM 0 HE1 PHE A 48 -1.782 -19.484 11.592 1.00 23.22 H new ATOM 0 HE2 PHE A 48 1.375 -19.314 14.444 1.00 34.11 H new ATOM 0 HZ PHE A 48 -0.831 -20.157 13.757 1.00 41.52 H new ATOM 804 N ALA A 49 3.406 -15.670 8.027 1.00 54.10 N ATOM 805 CA ALA A 49 4.320 -14.612 7.645 1.00 31.32 C ATOM 806 C ALA A 49 3.661 -13.247 7.809 1.00 24.43 C ATOM 807 O ALA A 49 2.487 -13.062 7.477 1.00 33.55 O ATOM 808 CB ALA A 49 4.819 -14.814 6.218 1.00 25.42 C ATOM 0 H ALA A 49 2.509 -15.656 7.541 1.00 54.10 H new ATOM 0 HA ALA A 49 5.184 -14.651 8.308 1.00 31.32 H new ATOM 0 HB1 ALA A 49 5.503 -14.008 5.954 1.00 25.42 H new ATOM 0 HB2 ALA A 49 5.339 -15.769 6.146 1.00 25.42 H new ATOM 0 HB3 ALA A 49 3.972 -14.810 5.532 1.00 25.42 H new ATOM 814 N PHE A 50 4.434 -12.314 8.335 1.00 11.31 N ATOM 815 CA PHE A 50 4.037 -10.926 8.453 1.00 44.54 C ATOM 816 C PHE A 50 4.939 -10.107 7.565 1.00 14.25 C ATOM 817 O PHE A 50 6.178 -10.085 7.770 1.00 63.30 O ATOM 818 CB PHE A 50 4.173 -10.441 9.904 1.00 32.34 C ATOM 819 CG PHE A 50 2.882 -10.039 10.560 1.00 72.00 C ATOM 820 CD1 PHE A 50 1.918 -9.325 9.865 1.00 12.13 C ATOM 821 CD2 PHE A 50 2.642 -10.362 11.885 1.00 74.25 C ATOM 822 CE1 PHE A 50 0.743 -8.943 10.476 1.00 41.21 C ATOM 823 CE2 PHE A 50 1.466 -9.984 12.503 1.00 65.03 C ATOM 824 CZ PHE A 50 0.516 -9.272 11.798 1.00 22.31 C ATOM 0 H PHE A 50 5.369 -12.504 8.697 1.00 11.31 H new ATOM 0 HA PHE A 50 2.994 -10.818 8.155 1.00 44.54 H new ATOM 0 HB2 PHE A 50 4.633 -11.233 10.495 1.00 32.34 H new ATOM 0 HB3 PHE A 50 4.855 -9.591 9.925 1.00 32.34 H new ATOM 0 HD1 PHE A 50 2.090 -9.065 8.831 1.00 12.13 H new ATOM 0 HD2 PHE A 50 3.383 -10.916 12.442 1.00 74.25 H new ATOM 0 HE1 PHE A 50 0.001 -8.387 9.922 1.00 41.21 H new ATOM 0 HE2 PHE A 50 1.290 -10.245 13.536 1.00 65.03 H new ATOM 0 HZ PHE A 50 -0.403 -8.973 12.280 1.00 22.31 H new ATOM 834 N ILE A 51 4.344 -9.434 6.579 1.00 24.31 N ATOM 835 CA ILE A 51 5.176 -8.704 5.607 1.00 10.21 C ATOM 836 C ILE A 51 4.941 -7.201 5.700 1.00 14.41 C ATOM 837 O ILE A 51 3.917 -6.715 5.242 1.00 21.41 O ATOM 838 CB ILE A 51 4.887 -9.179 4.159 1.00 24.03 C ATOM 839 CG1 ILE A 51 4.940 -10.704 4.085 1.00 61.41 C ATOM 840 CG2 ILE A 51 5.915 -8.594 3.194 1.00 42.15 C ATOM 841 CD1 ILE A 51 3.829 -11.346 3.299 1.00 23.32 C ATOM 0 H ILE A 51 3.337 -9.375 6.430 1.00 24.31 H new ATOM 0 HA ILE A 51 6.217 -8.916 5.852 1.00 10.21 H new ATOM 0 HB ILE A 51 3.892 -8.835 3.878 1.00 24.03 H new ATOM 0 HG12 ILE A 51 5.892 -10.998 3.644 1.00 61.41 H new ATOM 0 HG13 ILE A 51 4.923 -11.102 5.100 1.00 61.41 H new ATOM 0 HG21 ILE A 51 5.700 -8.936 2.182 1.00 42.15 H new ATOM 0 HG22 ILE A 51 5.867 -7.506 3.227 1.00 42.15 H new ATOM 0 HG23 ILE A 51 6.913 -8.922 3.483 1.00 42.15 H new ATOM 0 HD11 ILE A 51 3.957 -12.428 3.306 1.00 23.32 H new ATOM 0 HD12 ILE A 51 2.870 -11.091 3.749 1.00 23.32 H new ATOM 0 HD13 ILE A 51 3.855 -10.985 2.271 1.00 23.32 H new ATOM 853 N GLU A 52 5.930 -6.469 6.212 1.00 71.34 N ATOM 854 CA GLU A 52 5.762 -5.048 6.530 1.00 11.13 C ATOM 855 C GLU A 52 6.545 -4.160 5.552 1.00 23.52 C ATOM 856 O GLU A 52 7.774 -4.085 5.580 1.00 34.54 O ATOM 857 CB GLU A 52 6.208 -4.819 7.973 1.00 25.33 C ATOM 858 CG GLU A 52 6.020 -3.405 8.498 1.00 64.41 C ATOM 859 CD GLU A 52 6.570 -3.252 9.902 1.00 3.32 C ATOM 860 OE1 GLU A 52 5.951 -3.786 10.846 1.00 5.13 O ATOM 861 OE2 GLU A 52 7.633 -2.620 10.062 1.00 33.34 O ATOM 0 H GLU A 52 6.859 -6.836 6.417 1.00 71.34 H new ATOM 0 HA GLU A 52 4.713 -4.772 6.426 1.00 11.13 H new ATOM 0 HB2 GLU A 52 5.658 -5.504 8.618 1.00 25.33 H new ATOM 0 HB3 GLU A 52 7.263 -5.081 8.055 1.00 25.33 H new ATOM 0 HG2 GLU A 52 6.519 -2.700 7.833 1.00 64.41 H new ATOM 0 HG3 GLU A 52 4.960 -3.153 8.493 1.00 64.41 H new ATOM 868 N PHE A 53 5.802 -3.543 4.651 1.00 1.41 N ATOM 869 CA PHE A 53 6.349 -2.655 3.611 1.00 55.22 C ATOM 870 C PHE A 53 5.853 -1.217 3.723 1.00 15.34 C ATOM 871 O PHE A 53 4.977 -0.901 4.527 1.00 23.35 O ATOM 872 CB PHE A 53 6.088 -3.198 2.204 1.00 75.44 C ATOM 873 CG PHE A 53 4.796 -3.913 2.074 1.00 20.10 C ATOM 874 CD1 PHE A 53 3.595 -3.257 2.261 1.00 41.42 C ATOM 875 CD2 PHE A 53 4.795 -5.253 1.788 1.00 34.41 C ATOM 876 CE1 PHE A 53 2.419 -3.928 2.150 1.00 14.33 C ATOM 877 CE2 PHE A 53 3.624 -5.926 1.680 1.00 3.41 C ATOM 878 CZ PHE A 53 2.432 -5.260 1.862 1.00 40.02 C ATOM 0 H PHE A 53 4.787 -3.638 4.611 1.00 1.41 H new ATOM 0 HA PHE A 53 7.425 -2.637 3.784 1.00 55.22 H new ATOM 0 HB2 PHE A 53 6.109 -2.371 1.495 1.00 75.44 H new ATOM 0 HB3 PHE A 53 6.897 -3.874 1.929 1.00 75.44 H new ATOM 0 HD1 PHE A 53 3.591 -2.203 2.497 1.00 41.42 H new ATOM 0 HD2 PHE A 53 5.730 -5.774 1.648 1.00 34.41 H new ATOM 0 HE1 PHE A 53 1.481 -3.410 2.289 1.00 14.33 H new ATOM 0 HE2 PHE A 53 3.625 -6.982 1.452 1.00 3.41 H new ATOM 0 HZ PHE A 53 1.500 -5.798 1.776 1.00 40.02 H new ATOM 888 N GLU A 54 6.454 -0.351 2.908 1.00 12.24 N ATOM 889 CA GLU A 54 5.960 1.001 2.680 1.00 62.53 C ATOM 890 C GLU A 54 4.779 1.015 1.685 1.00 43.24 C ATOM 891 O GLU A 54 3.811 1.757 1.885 1.00 74.54 O ATOM 892 CB GLU A 54 7.105 1.891 2.173 1.00 20.31 C ATOM 893 CG GLU A 54 6.752 3.376 2.091 1.00 54.41 C ATOM 894 CD GLU A 54 7.967 4.262 1.899 1.00 14.21 C ATOM 895 OE1 GLU A 54 8.476 4.345 0.763 1.00 62.30 O ATOM 896 OE2 GLU A 54 8.411 4.881 2.892 1.00 24.11 O ATOM 0 H GLU A 54 7.302 -0.572 2.386 1.00 12.24 H new ATOM 0 HA GLU A 54 5.590 1.394 3.627 1.00 62.53 H new ATOM 0 HB2 GLU A 54 7.965 1.769 2.832 1.00 20.31 H new ATOM 0 HB3 GLU A 54 7.409 1.546 1.185 1.00 20.31 H new ATOM 0 HG2 GLU A 54 6.059 3.534 1.265 1.00 54.41 H new ATOM 0 HG3 GLU A 54 6.233 3.672 3.003 1.00 54.41 H new ATOM 903 N ASP A 55 4.807 0.156 0.648 1.00 34.14 N ATOM 904 CA ASP A 55 3.806 0.266 -0.426 1.00 15.00 C ATOM 905 C ASP A 55 2.926 -0.972 -0.484 1.00 30.35 C ATOM 906 O ASP A 55 3.378 -2.087 -0.755 1.00 14.03 O ATOM 907 CB ASP A 55 4.491 0.446 -1.788 1.00 14.22 C ATOM 908 CG ASP A 55 5.432 1.632 -1.833 1.00 33.24 C ATOM 909 OD1 ASP A 55 4.949 2.772 -1.994 1.00 44.43 O ATOM 910 OD2 ASP A 55 6.660 1.416 -1.695 1.00 44.53 O ATOM 0 H ASP A 55 5.487 -0.596 0.533 1.00 34.14 H new ATOM 0 HA ASP A 55 3.189 1.137 -0.205 1.00 15.00 H new ATOM 0 HB2 ASP A 55 5.047 -0.460 -2.030 1.00 14.22 H new ATOM 0 HB3 ASP A 55 3.728 0.567 -2.557 1.00 14.22 H new ATOM 915 N ALA A 56 1.640 -0.724 -0.245 1.00 64.31 N ATOM 916 CA ALA A 56 0.613 -1.758 -0.127 1.00 43.43 C ATOM 917 C ALA A 56 0.009 -2.240 -1.454 1.00 34.00 C ATOM 918 O ALA A 56 -0.154 -3.440 -1.654 1.00 22.43 O ATOM 919 CB ALA A 56 -0.476 -1.257 0.797 1.00 63.40 C ATOM 0 H ALA A 56 1.275 0.221 -0.125 1.00 64.31 H new ATOM 0 HA ALA A 56 1.112 -2.638 0.279 1.00 43.43 H new ATOM 0 HB1 ALA A 56 -1.250 -2.019 0.894 1.00 63.40 H new ATOM 0 HB2 ALA A 56 -0.051 -1.044 1.778 1.00 63.40 H new ATOM 0 HB3 ALA A 56 -0.913 -0.347 0.385 1.00 63.40 H new ATOM 925 N ARG A 57 -0.349 -1.296 -2.342 1.00 62.43 N ATOM 926 CA ARG A 57 -1.168 -1.598 -3.535 1.00 25.24 C ATOM 927 C ARG A 57 -0.353 -2.316 -4.624 1.00 63.20 C ATOM 928 O ARG A 57 -0.888 -3.089 -5.417 1.00 24.13 O ATOM 929 CB ARG A 57 -1.808 -0.294 -4.066 1.00 4.40 C ATOM 930 CG ARG A 57 -2.752 -0.484 -5.255 1.00 14.34 C ATOM 931 CD ARG A 57 -2.193 0.135 -6.534 1.00 22.31 C ATOM 932 NE ARG A 57 -2.431 1.580 -6.607 1.00 61.13 N ATOM 933 CZ ARG A 57 -1.548 2.484 -7.065 1.00 5.21 C ATOM 934 NH1 ARG A 57 -0.335 2.117 -7.494 1.00 1.50 N ATOM 935 NH2 ARG A 57 -1.904 3.762 -7.121 1.00 13.53 N ATOM 0 H ARG A 57 -0.085 -0.314 -2.258 1.00 62.43 H new ATOM 0 HA ARG A 57 -1.962 -2.286 -3.245 1.00 25.24 H new ATOM 0 HB2 ARG A 57 -2.359 0.181 -3.254 1.00 4.40 H new ATOM 0 HB3 ARG A 57 -1.013 0.393 -4.357 1.00 4.40 H new ATOM 0 HG2 ARG A 57 -2.926 -1.548 -5.413 1.00 14.34 H new ATOM 0 HG3 ARG A 57 -3.718 -0.034 -5.026 1.00 14.34 H new ATOM 0 HD2 ARG A 57 -1.121 -0.057 -6.589 1.00 22.31 H new ATOM 0 HD3 ARG A 57 -2.648 -0.349 -7.398 1.00 22.31 H new ATOM 0 HE ARG A 57 -3.335 1.925 -6.286 1.00 61.13 H new ATOM 0 HH11 ARG A 57 -0.064 1.134 -7.478 1.00 1.50 H new ATOM 0 HH12 ARG A 57 0.319 2.820 -7.837 1.00 1.50 H new ATOM 0 HH21 ARG A 57 -2.836 4.045 -6.819 1.00 13.53 H new ATOM 0 HH22 ARG A 57 -1.245 4.460 -7.466 1.00 13.53 H new ATOM 949 N ASP A 58 0.940 -2.054 -4.651 1.00 51.14 N ATOM 950 CA ASP A 58 1.849 -2.708 -5.591 1.00 73.51 C ATOM 951 C ASP A 58 2.224 -4.135 -5.120 1.00 55.05 C ATOM 952 O ASP A 58 2.549 -5.015 -5.924 1.00 74.21 O ATOM 953 CB ASP A 58 3.074 -1.826 -5.816 1.00 44.31 C ATOM 954 CG ASP A 58 2.724 -0.577 -6.596 1.00 35.32 C ATOM 955 OD1 ASP A 58 2.281 0.423 -5.983 1.00 5.15 O ATOM 956 OD2 ASP A 58 2.870 -0.606 -7.829 1.00 43.05 O ATOM 0 H ASP A 58 1.394 -1.386 -4.028 1.00 51.14 H new ATOM 0 HA ASP A 58 1.343 -2.832 -6.548 1.00 73.51 H new ATOM 0 HB2 ASP A 58 3.504 -1.547 -4.854 1.00 44.31 H new ATOM 0 HB3 ASP A 58 3.836 -2.390 -6.354 1.00 44.31 H new ATOM 961 N ALA A 59 2.155 -4.347 -3.804 1.00 2.52 N ATOM 962 CA ALA A 59 2.344 -5.667 -3.161 1.00 55.44 C ATOM 963 C ALA A 59 1.144 -6.616 -3.406 1.00 62.21 C ATOM 964 O ALA A 59 1.228 -7.854 -3.248 1.00 41.31 O ATOM 965 CB ALA A 59 2.575 -5.487 -1.674 1.00 24.42 C ATOM 0 H ALA A 59 1.964 -3.600 -3.137 1.00 2.52 H new ATOM 0 HA ALA A 59 3.219 -6.132 -3.615 1.00 55.44 H new ATOM 0 HB1 ALA A 59 2.713 -6.462 -1.207 1.00 24.42 H new ATOM 0 HB2 ALA A 59 3.465 -4.879 -1.515 1.00 24.42 H new ATOM 0 HB3 ALA A 59 1.713 -4.991 -1.229 1.00 24.42 H new ATOM 971 N ALA A 60 -0.007 -5.997 -3.681 1.00 41.22 N ATOM 972 CA ALA A 60 -1.237 -6.699 -4.086 1.00 42.32 C ATOM 973 C ALA A 60 -1.061 -7.604 -5.333 1.00 73.21 C ATOM 974 O ALA A 60 -1.887 -8.467 -5.560 1.00 1.14 O ATOM 975 CB ALA A 60 -2.380 -5.711 -4.302 1.00 0.30 C ATOM 0 H ALA A 60 -0.117 -4.984 -3.629 1.00 41.22 H new ATOM 0 HA ALA A 60 -1.483 -7.365 -3.259 1.00 42.32 H new ATOM 0 HB1 ALA A 60 -3.278 -6.253 -4.600 1.00 0.30 H new ATOM 0 HB2 ALA A 60 -2.574 -5.170 -3.376 1.00 0.30 H new ATOM 0 HB3 ALA A 60 -2.106 -5.003 -5.085 1.00 0.30 H new ATOM 981 N ASP A 61 -0.041 -7.347 -6.177 1.00 52.14 N ATOM 982 CA ASP A 61 0.291 -8.237 -7.313 1.00 24.34 C ATOM 983 C ASP A 61 0.805 -9.604 -6.800 1.00 54.20 C ATOM 984 O ASP A 61 0.420 -10.676 -7.295 1.00 21.14 O ATOM 985 CB ASP A 61 1.349 -7.577 -8.205 1.00 53.54 C ATOM 986 CG ASP A 61 1.079 -7.823 -9.673 1.00 73.32 C ATOM 987 OD1 ASP A 61 0.255 -7.078 -10.265 1.00 15.13 O ATOM 988 OD2 ASP A 61 1.622 -8.808 -10.215 1.00 53.51 O ATOM 0 H ASP A 61 0.567 -6.532 -6.095 1.00 52.14 H new ATOM 0 HA ASP A 61 -0.613 -8.405 -7.898 1.00 24.34 H new ATOM 0 HB2 ASP A 61 1.368 -6.504 -8.014 1.00 53.54 H new ATOM 0 HB3 ASP A 61 2.335 -7.964 -7.947 1.00 53.54 H new ATOM 993 N ALA A 62 1.665 -9.530 -5.778 1.00 63.01 N ATOM 994 CA ALA A 62 2.153 -10.704 -5.053 1.00 72.35 C ATOM 995 C ALA A 62 1.008 -11.407 -4.336 1.00 21.21 C ATOM 996 O ALA A 62 0.896 -12.634 -4.387 1.00 45.40 O ATOM 997 CB ALA A 62 3.229 -10.314 -4.046 1.00 32.11 C ATOM 0 H ALA A 62 2.043 -8.649 -5.430 1.00 63.01 H new ATOM 0 HA ALA A 62 2.588 -11.388 -5.782 1.00 72.35 H new ATOM 0 HB1 ALA A 62 3.575 -11.204 -3.520 1.00 32.11 H new ATOM 0 HB2 ALA A 62 4.067 -9.853 -4.569 1.00 32.11 H new ATOM 0 HB3 ALA A 62 2.816 -9.606 -3.328 1.00 32.11 H new ATOM 1003 N ILE A 63 0.126 -10.622 -3.700 1.00 20.44 N ATOM 1004 CA ILE A 63 -1.030 -11.213 -3.018 1.00 34.12 C ATOM 1005 C ILE A 63 -2.024 -11.860 -4.034 1.00 50.22 C ATOM 1006 O ILE A 63 -2.664 -12.840 -3.703 1.00 31.41 O ATOM 1007 CB ILE A 63 -1.700 -10.202 -2.012 1.00 11.22 C ATOM 1008 CG1 ILE A 63 -2.040 -10.915 -0.674 1.00 64.41 C ATOM 1009 CG2 ILE A 63 -2.945 -9.508 -2.583 1.00 43.10 C ATOM 1010 CD1 ILE A 63 -3.257 -11.824 -0.707 1.00 5.52 C ATOM 0 H ILE A 63 0.188 -9.605 -3.644 1.00 20.44 H new ATOM 0 HA ILE A 63 -0.674 -12.034 -2.396 1.00 34.12 H new ATOM 0 HB ILE A 63 -0.967 -9.416 -1.831 1.00 11.22 H new ATOM 0 HG12 ILE A 63 -1.176 -11.505 -0.367 1.00 64.41 H new ATOM 0 HG13 ILE A 63 -2.196 -10.156 0.092 1.00 64.41 H new ATOM 0 HG21 ILE A 63 -3.355 -8.826 -1.838 1.00 43.10 H new ATOM 0 HG22 ILE A 63 -2.671 -8.947 -3.477 1.00 43.10 H new ATOM 0 HG23 ILE A 63 -3.693 -10.257 -2.840 1.00 43.10 H new ATOM 0 HD11 ILE A 63 -3.404 -12.271 0.276 1.00 5.52 H new ATOM 0 HD12 ILE A 63 -4.138 -11.242 -0.977 1.00 5.52 H new ATOM 0 HD13 ILE A 63 -3.103 -12.612 -1.444 1.00 5.52 H new ATOM 1022 N LYS A 64 -2.125 -11.320 -5.268 1.00 31.04 N ATOM 1023 CA LYS A 64 -2.988 -11.916 -6.293 1.00 33.43 C ATOM 1024 C LYS A 64 -2.324 -13.127 -6.981 1.00 72.41 C ATOM 1025 O LYS A 64 -3.016 -13.937 -7.589 1.00 62.33 O ATOM 1026 CB LYS A 64 -3.545 -10.870 -7.292 1.00 61.52 C ATOM 1027 CG LYS A 64 -2.546 -10.279 -8.294 1.00 14.03 C ATOM 1028 CD LYS A 64 -2.474 -11.075 -9.605 1.00 25.31 C ATOM 1029 CE LYS A 64 -1.360 -10.586 -10.505 1.00 34.31 C ATOM 1030 NZ LYS A 64 -1.638 -9.242 -11.071 1.00 3.35 N ATOM 0 H LYS A 64 -1.624 -10.484 -5.569 1.00 31.04 H new ATOM 0 HA LYS A 64 -3.862 -12.309 -5.774 1.00 33.43 H new ATOM 0 HB2 LYS A 64 -4.357 -11.333 -7.853 1.00 61.52 H new ATOM 0 HB3 LYS A 64 -3.980 -10.050 -6.720 1.00 61.52 H new ATOM 0 HG2 LYS A 64 -2.827 -9.249 -8.515 1.00 14.03 H new ATOM 0 HG3 LYS A 64 -1.556 -10.249 -7.838 1.00 14.03 H new ATOM 0 HD2 LYS A 64 -2.321 -12.131 -9.380 1.00 25.31 H new ATOM 0 HD3 LYS A 64 -3.426 -10.995 -10.130 1.00 25.31 H new ATOM 0 HE2 LYS A 64 -0.428 -10.554 -9.940 1.00 34.31 H new ATOM 0 HE3 LYS A 64 -1.215 -11.297 -11.318 1.00 34.31 H new ATOM 0 HZ1 LYS A 64 -1.225 -9.174 -12.023 1.00 3.35 H new ATOM 0 HZ2 LYS A 64 -2.666 -9.095 -11.129 1.00 3.35 H new ATOM 0 HZ3 LYS A 64 -1.218 -8.514 -10.458 1.00 3.35 H new ATOM 1044 N GLU A 65 -0.991 -13.246 -6.937 1.00 32.40 N ATOM 1045 CA GLU A 65 -0.380 -14.500 -7.411 1.00 25.24 C ATOM 1046 C GLU A 65 -0.339 -15.572 -6.303 1.00 11.12 C ATOM 1047 O GLU A 65 -0.169 -16.757 -6.601 1.00 63.34 O ATOM 1048 CB GLU A 65 0.997 -14.320 -8.068 1.00 24.21 C ATOM 1049 CG GLU A 65 2.091 -13.823 -7.158 1.00 11.41 C ATOM 1050 CD GLU A 65 3.453 -13.888 -7.812 1.00 44.41 C ATOM 1051 OE1 GLU A 65 3.551 -13.565 -9.014 1.00 23.41 O ATOM 1052 OE2 GLU A 65 4.428 -14.271 -7.133 1.00 54.23 O ATOM 0 H GLU A 65 -0.343 -12.535 -6.599 1.00 32.40 H new ATOM 0 HA GLU A 65 -1.038 -14.854 -8.204 1.00 25.24 H new ATOM 0 HB2 GLU A 65 1.306 -15.276 -8.490 1.00 24.21 H new ATOM 0 HB3 GLU A 65 0.895 -13.622 -8.899 1.00 24.21 H new ATOM 0 HG2 GLU A 65 1.879 -12.794 -6.866 1.00 11.41 H new ATOM 0 HG3 GLU A 65 2.100 -14.418 -6.245 1.00 11.41 H new ATOM 1059 N LYS A 66 -0.486 -15.163 -5.030 1.00 73.32 N ATOM 1060 CA LYS A 66 -0.672 -16.137 -3.929 1.00 52.40 C ATOM 1061 C LYS A 66 -2.189 -16.266 -3.526 1.00 41.50 C ATOM 1062 O LYS A 66 -2.535 -16.822 -2.483 1.00 73.02 O ATOM 1063 CB LYS A 66 0.195 -15.764 -2.701 1.00 31.43 C ATOM 1064 CG LYS A 66 1.646 -15.325 -2.993 1.00 13.42 C ATOM 1065 CD LYS A 66 2.520 -16.394 -3.654 1.00 2.22 C ATOM 1066 CE LYS A 66 3.878 -15.802 -4.043 1.00 63.11 C ATOM 1067 NZ LYS A 66 4.754 -16.762 -4.772 1.00 41.15 N ATOM 0 H LYS A 66 -0.481 -14.186 -4.737 1.00 73.32 H new ATOM 0 HA LYS A 66 -0.341 -17.110 -4.293 1.00 52.40 H new ATOM 0 HB2 LYS A 66 -0.304 -14.958 -2.163 1.00 31.43 H new ATOM 0 HB3 LYS A 66 0.226 -16.623 -2.031 1.00 31.43 H new ATOM 0 HG2 LYS A 66 1.622 -14.446 -3.637 1.00 13.42 H new ATOM 0 HG3 LYS A 66 2.114 -15.021 -2.057 1.00 13.42 H new ATOM 0 HD2 LYS A 66 2.663 -17.231 -2.970 1.00 2.22 H new ATOM 0 HD3 LYS A 66 2.020 -16.787 -4.539 1.00 2.22 H new ATOM 0 HE2 LYS A 66 3.718 -14.922 -4.666 1.00 63.11 H new ATOM 0 HE3 LYS A 66 4.391 -15.465 -3.142 1.00 63.11 H new ATOM 0 HZ1 LYS A 66 5.656 -16.300 -5.006 1.00 41.15 H new ATOM 0 HZ2 LYS A 66 4.935 -17.591 -4.171 1.00 41.15 H new ATOM 0 HZ3 LYS A 66 4.283 -17.065 -5.648 1.00 41.15 H new ATOM 1081 N ASP A 67 -3.056 -15.727 -4.397 1.00 62.12 N ATOM 1082 CA ASP A 67 -4.545 -15.672 -4.271 1.00 64.21 C ATOM 1083 C ASP A 67 -5.247 -17.034 -4.437 1.00 41.53 C ATOM 1084 O ASP A 67 -4.737 -17.927 -5.121 1.00 72.40 O ATOM 1085 CB ASP A 67 -5.093 -14.591 -5.232 1.00 62.34 C ATOM 1086 CG ASP A 67 -6.572 -14.676 -5.590 1.00 51.34 C ATOM 1087 OD1 ASP A 67 -7.425 -14.446 -4.706 1.00 1.14 O ATOM 1088 OD2 ASP A 67 -6.875 -14.935 -6.777 1.00 12.54 O ATOM 0 H ASP A 67 -2.733 -15.290 -5.260 1.00 62.12 H new ATOM 0 HA ASP A 67 -4.780 -15.392 -3.244 1.00 64.21 H new ATOM 0 HB2 ASP A 67 -4.907 -13.614 -4.786 1.00 62.34 H new ATOM 0 HB3 ASP A 67 -4.517 -14.634 -6.156 1.00 62.34 H new ATOM 1093 N GLY A 68 -6.436 -17.187 -3.813 1.00 72.10 N ATOM 1094 CA GLY A 68 -7.072 -18.488 -3.762 1.00 21.12 C ATOM 1095 C GLY A 68 -7.135 -19.105 -2.376 1.00 3.31 C ATOM 1096 O GLY A 68 -7.192 -20.331 -2.266 1.00 43.50 O ATOM 0 H GLY A 68 -6.951 -16.436 -3.353 1.00 72.10 H new ATOM 0 HA2 GLY A 68 -8.086 -18.398 -4.152 1.00 21.12 H new ATOM 0 HA3 GLY A 68 -6.535 -19.167 -4.424 1.00 21.12 H new ATOM 1100 N CYS A 69 -7.090 -18.260 -1.331 1.00 5.24 N ATOM 1101 CA CYS A 69 -6.876 -18.705 0.055 1.00 63.51 C ATOM 1102 C CYS A 69 -7.930 -19.719 0.567 1.00 10.51 C ATOM 1103 O CYS A 69 -9.148 -19.536 0.410 1.00 72.10 O ATOM 1104 CB CYS A 69 -6.850 -17.463 0.965 1.00 73.24 C ATOM 1105 SG CYS A 69 -8.313 -16.414 0.827 1.00 42.42 S ATOM 0 H CYS A 69 -7.201 -17.250 -1.425 1.00 5.24 H new ATOM 0 HA CYS A 69 -5.926 -19.239 0.079 1.00 63.51 H new ATOM 0 HB2 CYS A 69 -6.745 -17.787 2.000 1.00 73.24 H new ATOM 0 HB3 CYS A 69 -5.967 -16.870 0.726 1.00 73.24 H new ATOM 0 HG CYS A 69 -8.197 -15.399 1.631 1.00 42.42 H new ATOM 1111 N ASP A 70 -7.402 -20.775 1.201 1.00 44.10 N ATOM 1112 CA ASP A 70 -8.176 -21.957 1.536 1.00 23.54 C ATOM 1113 C ASP A 70 -7.947 -22.443 2.976 1.00 2.02 C ATOM 1114 O ASP A 70 -6.828 -22.326 3.536 1.00 33.14 O ATOM 1115 CB ASP A 70 -7.851 -23.062 0.541 1.00 42.40 C ATOM 1116 CG ASP A 70 -9.094 -23.592 -0.145 1.00 31.20 C ATOM 1117 OD1 ASP A 70 -9.876 -24.312 0.509 1.00 44.32 O ATOM 1118 OD2 ASP A 70 -9.292 -23.280 -1.339 1.00 63.23 O ATOM 0 H ASP A 70 -6.426 -20.824 1.492 1.00 44.10 H new ATOM 0 HA ASP A 70 -9.231 -21.688 1.474 1.00 23.54 H new ATOM 0 HB2 ASP A 70 -7.157 -22.682 -0.209 1.00 42.40 H new ATOM 0 HB3 ASP A 70 -7.346 -23.878 1.058 1.00 42.40 H new ATOM 1123 N PHE A 71 -9.024 -23.053 3.504 1.00 51.54 N ATOM 1124 CA PHE A 71 -9.191 -23.476 4.906 1.00 2.20 C ATOM 1125 C PHE A 71 -9.973 -24.810 4.982 1.00 55.25 C ATOM 1126 O PHE A 71 -10.754 -25.101 4.072 1.00 11.33 O ATOM 1127 CB PHE A 71 -9.869 -22.390 5.781 1.00 20.42 C ATOM 1128 CG PHE A 71 -11.307 -22.069 5.445 1.00 12.34 C ATOM 1129 CD1 PHE A 71 -11.614 -21.194 4.418 1.00 32.13 C ATOM 1130 CD2 PHE A 71 -12.346 -22.641 6.169 1.00 73.44 C ATOM 1131 CE1 PHE A 71 -12.926 -20.890 4.117 1.00 13.12 C ATOM 1132 CE2 PHE A 71 -13.661 -22.339 5.875 1.00 30.04 C ATOM 1133 CZ PHE A 71 -13.952 -21.466 4.843 1.00 35.01 C ATOM 0 H PHE A 71 -9.842 -23.275 2.936 1.00 51.54 H new ATOM 0 HA PHE A 71 -8.191 -23.628 5.313 1.00 2.20 H new ATOM 0 HB2 PHE A 71 -9.823 -22.710 6.822 1.00 20.42 H new ATOM 0 HB3 PHE A 71 -9.285 -21.473 5.703 1.00 20.42 H new ATOM 0 HD1 PHE A 71 -10.817 -20.743 3.845 1.00 32.13 H new ATOM 0 HD2 PHE A 71 -12.123 -23.329 6.971 1.00 73.44 H new ATOM 0 HE1 PHE A 71 -13.151 -20.203 3.315 1.00 13.12 H new ATOM 0 HE2 PHE A 71 -14.460 -22.784 6.450 1.00 30.04 H new ATOM 0 HZ PHE A 71 -14.980 -21.234 4.604 1.00 35.01 H new ATOM 1143 N GLU A 72 -9.684 -25.641 6.022 1.00 72.14 N ATOM 1144 CA GLU A 72 -10.422 -26.914 6.309 1.00 4.21 C ATOM 1145 C GLU A 72 -10.076 -28.056 5.336 1.00 44.55 C ATOM 1146 O GLU A 72 -10.894 -28.513 4.533 1.00 5.44 O ATOM 1147 CB GLU A 72 -11.956 -26.696 6.392 1.00 50.23 C ATOM 1148 CG GLU A 72 -12.654 -27.492 7.504 1.00 0.23 C ATOM 1149 CD GLU A 72 -14.157 -27.264 7.560 1.00 61.53 C ATOM 1150 OE1 GLU A 72 -14.573 -26.134 7.890 1.00 23.31 O ATOM 1151 OE2 GLU A 72 -14.916 -28.220 7.294 1.00 5.15 O ATOM 0 H GLU A 72 -8.934 -25.451 6.687 1.00 72.14 H new ATOM 0 HA GLU A 72 -10.075 -27.231 7.293 1.00 4.21 H new ATOM 0 HB2 GLU A 72 -12.151 -25.635 6.545 1.00 50.23 H new ATOM 0 HB3 GLU A 72 -12.401 -26.967 5.435 1.00 50.23 H new ATOM 0 HG2 GLU A 72 -12.461 -28.554 7.356 1.00 0.23 H new ATOM 0 HG3 GLU A 72 -12.217 -27.219 8.465 1.00 0.23 H new ATOM 1158 N GLY A 73 -8.810 -28.464 5.416 1.00 52.21 N ATOM 1159 CA GLY A 73 -8.280 -29.559 4.607 1.00 64.42 C ATOM 1160 C GLY A 73 -7.494 -29.103 3.393 1.00 54.12 C ATOM 1161 O GLY A 73 -6.818 -29.908 2.753 1.00 75.41 O ATOM 0 H GLY A 73 -8.124 -28.044 6.043 1.00 52.21 H new ATOM 0 HA2 GLY A 73 -7.638 -30.180 5.231 1.00 64.42 H new ATOM 0 HA3 GLY A 73 -9.107 -30.187 4.277 1.00 64.42 H new ATOM 1165 N ASN A 74 -7.562 -27.816 3.088 1.00 2.25 N ATOM 1166 CA ASN A 74 -6.568 -27.180 2.245 1.00 55.24 C ATOM 1167 C ASN A 74 -5.932 -26.073 3.060 1.00 71.22 C ATOM 1168 O ASN A 74 -6.630 -25.258 3.647 1.00 43.21 O ATOM 1169 CB ASN A 74 -7.180 -26.625 0.951 1.00 50.05 C ATOM 1170 CG ASN A 74 -7.595 -27.708 -0.031 1.00 34.30 C ATOM 1171 OD1 ASN A 74 -8.704 -28.236 0.035 1.00 13.31 O ATOM 1172 ND2 ASN A 74 -6.710 -28.030 -0.962 1.00 64.12 N ATOM 0 H ASN A 74 -8.299 -27.192 3.415 1.00 2.25 H new ATOM 0 HA ASN A 74 -5.823 -27.913 1.935 1.00 55.24 H new ATOM 0 HB2 ASN A 74 -8.050 -26.018 1.200 1.00 50.05 H new ATOM 0 HB3 ASN A 74 -6.458 -25.965 0.470 1.00 50.05 H new ATOM 0 HD21 ASN A 74 -6.938 -28.739 -1.659 1.00 64.12 H new ATOM 0 HD22 ASN A 74 -5.801 -27.569 -0.983 1.00 64.12 H new ATOM 1179 N LYS A 75 -4.621 -26.129 3.212 1.00 63.04 N ATOM 1180 CA LYS A 75 -3.890 -25.109 3.954 1.00 73.21 C ATOM 1181 C LYS A 75 -3.313 -24.050 3.010 1.00 24.35 C ATOM 1182 O LYS A 75 -2.304 -24.319 2.350 1.00 12.14 O ATOM 1183 CB LYS A 75 -2.774 -25.758 4.794 1.00 13.00 C ATOM 1184 CG LYS A 75 -3.193 -26.214 6.193 1.00 74.20 C ATOM 1185 CD LYS A 75 -4.002 -27.512 6.186 1.00 30.02 C ATOM 1186 CE LYS A 75 -5.419 -27.300 6.714 1.00 73.14 C ATOM 1187 NZ LYS A 75 -5.434 -26.919 8.151 1.00 33.20 N ATOM 0 H LYS A 75 -4.036 -26.872 2.831 1.00 63.04 H new ATOM 0 HA LYS A 75 -4.587 -24.610 4.628 1.00 73.21 H new ATOM 0 HB2 LYS A 75 -2.386 -26.619 4.250 1.00 13.00 H new ATOM 0 HB3 LYS A 75 -1.954 -25.046 4.892 1.00 13.00 H new ATOM 0 HG2 LYS A 75 -2.302 -26.352 6.805 1.00 74.20 H new ATOM 0 HG3 LYS A 75 -3.784 -25.428 6.663 1.00 74.20 H new ATOM 0 HD2 LYS A 75 -4.048 -27.906 5.171 1.00 30.02 H new ATOM 0 HD3 LYS A 75 -3.495 -28.260 6.796 1.00 30.02 H new ATOM 0 HE2 LYS A 75 -5.910 -26.522 6.129 1.00 73.14 H new ATOM 0 HE3 LYS A 75 -5.996 -28.214 6.577 1.00 73.14 H new ATOM 0 HZ1 LYS A 75 -6.384 -27.081 8.543 1.00 33.20 H new ATOM 0 HZ2 LYS A 75 -4.742 -27.496 8.670 1.00 33.20 H new ATOM 0 HZ3 LYS A 75 -5.187 -25.913 8.246 1.00 33.20 H new ATOM 1201 N LEU A 76 -3.938 -22.852 2.932 1.00 45.22 N ATOM 1202 CA LEU A 76 -3.394 -21.769 2.074 1.00 53.12 C ATOM 1203 C LEU A 76 -3.973 -20.386 2.450 1.00 3.33 C ATOM 1204 O LEU A 76 -4.720 -19.820 1.691 1.00 41.34 O ATOM 1205 CB LEU A 76 -3.684 -22.128 0.571 1.00 41.44 C ATOM 1206 CG LEU A 76 -3.269 -21.125 -0.529 1.00 43.23 C ATOM 1207 CD1 LEU A 76 -1.766 -21.041 -0.701 1.00 45.31 C ATOM 1208 CD2 LEU A 76 -3.945 -21.487 -1.842 1.00 54.14 C ATOM 0 H LEU A 76 -4.793 -22.613 3.435 1.00 45.22 H new ATOM 0 HA LEU A 76 -2.318 -21.696 2.231 1.00 53.12 H new ATOM 0 HB2 LEU A 76 -3.189 -23.075 0.357 1.00 41.44 H new ATOM 0 HB3 LEU A 76 -4.756 -22.299 0.474 1.00 41.44 H new ATOM 0 HG LEU A 76 -3.601 -20.136 -0.214 1.00 43.23 H new ATOM 0 HD11 LEU A 76 -1.529 -20.323 -1.486 1.00 45.31 H new ATOM 0 HD12 LEU A 76 -1.310 -20.719 0.235 1.00 45.31 H new ATOM 0 HD13 LEU A 76 -1.376 -22.021 -0.977 1.00 45.31 H new ATOM 0 HD21 LEU A 76 -3.648 -20.776 -2.613 1.00 54.14 H new ATOM 0 HD22 LEU A 76 -3.645 -22.492 -2.141 1.00 54.14 H new ATOM 0 HD23 LEU A 76 -5.027 -21.454 -1.715 1.00 54.14 H new ATOM 1220 N ARG A 77 -3.637 -19.799 3.598 1.00 20.43 N ATOM 1221 CA ARG A 77 -4.227 -18.495 3.910 1.00 45.05 C ATOM 1222 C ARG A 77 -3.248 -17.386 3.540 1.00 74.45 C ATOM 1223 O ARG A 77 -2.170 -17.302 4.079 1.00 71.54 O ATOM 1224 CB ARG A 77 -4.622 -18.416 5.395 1.00 72.31 C ATOM 1225 CG ARG A 77 -5.205 -17.073 5.850 1.00 12.44 C ATOM 1226 CD ARG A 77 -6.587 -16.825 5.262 1.00 41.34 C ATOM 1227 NE ARG A 77 -7.261 -15.674 5.892 1.00 74.13 N ATOM 1228 CZ ARG A 77 -8.137 -15.752 6.915 1.00 42.31 C ATOM 1229 NH1 ARG A 77 -8.468 -16.924 7.434 1.00 14.03 N ATOM 1230 NH2 ARG A 77 -8.692 -14.644 7.401 1.00 42.24 N ATOM 0 H ARG A 77 -2.995 -20.178 4.295 1.00 20.43 H new ATOM 0 HA ARG A 77 -5.136 -18.366 3.322 1.00 45.05 H new ATOM 0 HB2 ARG A 77 -5.352 -19.198 5.601 1.00 72.31 H new ATOM 0 HB3 ARG A 77 -3.742 -18.634 6.000 1.00 72.31 H new ATOM 0 HG2 ARG A 77 -5.265 -17.053 6.938 1.00 12.44 H new ATOM 0 HG3 ARG A 77 -4.534 -16.267 5.553 1.00 12.44 H new ATOM 0 HD2 ARG A 77 -6.498 -16.650 4.190 1.00 41.34 H new ATOM 0 HD3 ARG A 77 -7.200 -17.717 5.389 1.00 41.34 H new ATOM 0 HE ARG A 77 -7.048 -14.746 5.525 1.00 74.13 H new ATOM 0 HH11 ARG A 77 -8.060 -17.781 7.061 1.00 14.03 H new ATOM 0 HH12 ARG A 77 -9.131 -16.970 8.207 1.00 14.03 H new ATOM 0 HH21 ARG A 77 -8.455 -13.737 7.000 1.00 42.24 H new ATOM 0 HH22 ARG A 77 -9.354 -14.702 8.174 1.00 42.24 H new ATOM 1244 N VAL A 78 -3.593 -16.588 2.546 1.00 22.23 N ATOM 1245 CA VAL A 78 -2.821 -15.387 2.226 1.00 21.02 C ATOM 1246 C VAL A 78 -3.795 -14.219 2.118 1.00 52.42 C ATOM 1247 O VAL A 78 -4.716 -14.278 1.299 1.00 51.43 O ATOM 1248 CB VAL A 78 -2.012 -15.516 0.892 1.00 62.30 C ATOM 1249 CG1 VAL A 78 -0.966 -14.414 0.804 1.00 60.22 C ATOM 1250 CG2 VAL A 78 -1.338 -16.883 0.735 1.00 15.12 C ATOM 0 H VAL A 78 -4.401 -16.744 1.943 1.00 22.23 H new ATOM 0 HA VAL A 78 -2.089 -15.233 3.019 1.00 21.02 H new ATOM 0 HB VAL A 78 -2.730 -15.415 0.078 1.00 62.30 H new ATOM 0 HG11 VAL A 78 -0.410 -14.514 -0.128 1.00 60.22 H new ATOM 0 HG12 VAL A 78 -1.458 -13.442 0.830 1.00 60.22 H new ATOM 0 HG13 VAL A 78 -0.280 -14.496 1.647 1.00 60.22 H new ATOM 0 HG21 VAL A 78 -0.792 -16.913 -0.208 1.00 15.12 H new ATOM 0 HG22 VAL A 78 -0.645 -17.044 1.561 1.00 15.12 H new ATOM 0 HG23 VAL A 78 -2.097 -17.666 0.740 1.00 15.12 H new ATOM 1260 N GLU A 79 -3.629 -13.175 2.941 1.00 65.24 N ATOM 1261 CA GLU A 79 -4.502 -12.010 2.811 1.00 63.32 C ATOM 1262 C GLU A 79 -3.835 -10.690 3.195 1.00 33.31 C ATOM 1263 O GLU A 79 -3.032 -10.581 4.157 1.00 31.44 O ATOM 1264 CB GLU A 79 -5.815 -12.177 3.598 1.00 64.52 C ATOM 1265 CG GLU A 79 -5.675 -12.327 5.110 1.00 34.33 C ATOM 1266 CD GLU A 79 -6.999 -12.130 5.817 1.00 32.45 C ATOM 1267 OE1 GLU A 79 -8.013 -12.684 5.344 1.00 35.23 O ATOM 1268 OE2 GLU A 79 -7.026 -11.455 6.863 1.00 24.44 O ATOM 0 H GLU A 79 -2.925 -13.115 3.677 1.00 65.24 H new ATOM 0 HA GLU A 79 -4.729 -11.958 1.746 1.00 63.32 H new ATOM 0 HB2 GLU A 79 -6.449 -11.314 3.396 1.00 64.52 H new ATOM 0 HB3 GLU A 79 -6.337 -13.053 3.213 1.00 64.52 H new ATOM 0 HG2 GLU A 79 -5.282 -13.317 5.343 1.00 34.33 H new ATOM 0 HG3 GLU A 79 -4.952 -11.601 5.482 1.00 34.33 H new ATOM 1275 N VAL A 80 -4.184 -9.680 2.405 1.00 71.31 N ATOM 1276 CA VAL A 80 -3.918 -8.307 2.773 1.00 43.21 C ATOM 1277 C VAL A 80 -5.085 -7.742 3.586 1.00 3.30 C ATOM 1278 O VAL A 80 -6.255 -7.967 3.260 1.00 33.32 O ATOM 1279 CB VAL A 80 -3.629 -7.354 1.572 1.00 53.10 C ATOM 1280 CG1 VAL A 80 -2.302 -7.684 0.932 1.00 20.03 C ATOM 1281 CG2 VAL A 80 -4.732 -7.371 0.522 1.00 75.33 C ATOM 0 H VAL A 80 -4.652 -9.794 1.506 1.00 71.31 H new ATOM 0 HA VAL A 80 -3.004 -8.344 3.365 1.00 43.21 H new ATOM 0 HB VAL A 80 -3.592 -6.346 1.984 1.00 53.10 H new ATOM 0 HG11 VAL A 80 -2.122 -7.007 0.097 1.00 20.03 H new ATOM 0 HG12 VAL A 80 -1.506 -7.573 1.668 1.00 20.03 H new ATOM 0 HG13 VAL A 80 -2.319 -8.711 0.568 1.00 20.03 H new ATOM 0 HG21 VAL A 80 -4.474 -6.689 -0.288 1.00 75.33 H new ATOM 0 HG22 VAL A 80 -4.841 -8.380 0.125 1.00 75.33 H new ATOM 0 HG23 VAL A 80 -5.672 -7.056 0.976 1.00 75.33 H new ATOM 1291 N PRO A 81 -4.791 -7.023 4.679 1.00 54.23 N ATOM 1292 CA PRO A 81 -5.793 -6.197 5.365 1.00 74.43 C ATOM 1293 C PRO A 81 -5.967 -4.812 4.704 1.00 42.53 C ATOM 1294 O PRO A 81 -6.488 -3.878 5.324 1.00 71.54 O ATOM 1295 CB PRO A 81 -5.220 -6.074 6.780 1.00 3.23 C ATOM 1296 CG PRO A 81 -3.743 -6.231 6.640 1.00 33.31 C ATOM 1297 CD PRO A 81 -3.492 -7.022 5.381 1.00 74.21 C ATOM 0 HA PRO A 81 -6.791 -6.635 5.335 1.00 74.43 H new ATOM 0 HB2 PRO A 81 -5.470 -5.108 7.220 1.00 3.23 H new ATOM 0 HB3 PRO A 81 -5.633 -6.840 7.436 1.00 3.23 H new ATOM 0 HG2 PRO A 81 -3.257 -5.257 6.585 1.00 33.31 H new ATOM 0 HG3 PRO A 81 -3.328 -6.746 7.506 1.00 33.31 H new ATOM 0 HD2 PRO A 81 -2.713 -6.563 4.773 1.00 74.21 H new ATOM 0 HD3 PRO A 81 -3.163 -8.036 5.608 1.00 74.21 H new ATOM 1305 N PHE A 82 -5.551 -4.695 3.430 1.00 15.13 N ATOM 1306 CA PHE A 82 -5.669 -3.450 2.677 1.00 4.13 C ATOM 1307 C PHE A 82 -6.830 -3.548 1.705 1.00 32.22 C ATOM 1308 O PHE A 82 -6.653 -3.676 0.491 1.00 24.31 O ATOM 1309 CB PHE A 82 -4.391 -3.107 1.901 1.00 35.12 C ATOM 1310 CG PHE A 82 -3.137 -3.298 2.667 1.00 3.01 C ATOM 1311 CD1 PHE A 82 -2.910 -2.616 3.844 1.00 24.31 C ATOM 1312 CD2 PHE A 82 -2.188 -4.172 2.198 1.00 53.32 C ATOM 1313 CE1 PHE A 82 -1.752 -2.808 4.539 1.00 3.05 C ATOM 1314 CE2 PHE A 82 -1.032 -4.370 2.884 1.00 10.14 C ATOM 1315 CZ PHE A 82 -0.809 -3.684 4.053 1.00 31.00 C ATOM 0 H PHE A 82 -5.128 -5.459 2.904 1.00 15.13 H new ATOM 0 HA PHE A 82 -5.840 -2.653 3.401 1.00 4.13 H new ATOM 0 HB2 PHE A 82 -4.350 -3.723 1.002 1.00 35.12 H new ATOM 0 HB3 PHE A 82 -4.447 -2.069 1.574 1.00 35.12 H new ATOM 0 HD1 PHE A 82 -3.653 -1.927 4.217 1.00 24.31 H new ATOM 0 HD2 PHE A 82 -2.362 -4.707 1.276 1.00 53.32 H new ATOM 0 HE1 PHE A 82 -1.577 -2.277 5.463 1.00 3.05 H new ATOM 0 HE2 PHE A 82 -0.292 -5.063 2.512 1.00 10.14 H new ATOM 0 HZ PHE A 82 0.113 -3.833 4.595 1.00 31.00 H new ATOM 1325 N ASN A 83 -8.019 -3.505 2.260 1.00 43.12 N ATOM 1326 CA ASN A 83 -9.241 -3.530 1.472 1.00 54.21 C ATOM 1327 C ASN A 83 -9.772 -2.098 1.322 1.00 32.35 C ATOM 1328 O ASN A 83 -10.980 -1.854 1.363 1.00 52.33 O ATOM 1329 CB ASN A 83 -10.270 -4.455 2.142 1.00 64.13 C ATOM 1330 CG ASN A 83 -9.812 -5.905 2.184 1.00 71.50 C ATOM 1331 OD1 ASN A 83 -9.122 -6.378 1.283 1.00 31.14 O ATOM 1332 ND2 ASN A 83 -10.184 -6.612 3.239 1.00 64.45 N ATOM 0 H ASN A 83 -8.172 -3.452 3.267 1.00 43.12 H new ATOM 0 HA ASN A 83 -9.043 -3.925 0.476 1.00 54.21 H new ATOM 0 HB2 ASN A 83 -10.458 -4.108 3.158 1.00 64.13 H new ATOM 0 HB3 ASN A 83 -11.215 -4.392 1.603 1.00 64.13 H new ATOM 0 HD21 ASN A 83 -9.898 -7.587 3.326 1.00 64.45 H new ATOM 0 HD22 ASN A 83 -10.757 -6.182 3.965 1.00 64.45 H new ATOM 1339 N ALA A 84 -8.823 -1.164 1.122 1.00 75.33 N ATOM 1340 CA ALA A 84 -9.074 0.277 1.075 1.00 31.45 C ATOM 1341 C ALA A 84 -7.819 1.009 0.573 1.00 22.22 C ATOM 1342 O ALA A 84 -7.473 2.094 1.059 1.00 4.34 O ATOM 1343 CB ALA A 84 -9.428 0.774 2.474 1.00 74.43 C ATOM 0 H ALA A 84 -7.841 -1.402 0.986 1.00 75.33 H new ATOM 0 HA ALA A 84 -9.901 0.477 0.394 1.00 31.45 H new ATOM 0 HB1 ALA A 84 -9.616 1.847 2.442 1.00 74.43 H new ATOM 0 HB2 ALA A 84 -10.322 0.260 2.827 1.00 74.43 H new ATOM 0 HB3 ALA A 84 -8.600 0.570 3.153 1.00 74.43 H new ATOM 1349 N ARG A 85 -7.136 0.417 -0.408 1.00 44.32 N ATOM 1350 CA ARG A 85 -5.831 0.922 -0.843 1.00 34.21 C ATOM 1351 C ARG A 85 -5.714 0.986 -2.385 1.00 25.20 C ATOM 1352 O ARG A 85 -4.663 1.372 -2.915 1.00 52.04 O ATOM 1353 CB ARG A 85 -4.746 0.015 -0.242 1.00 11.21 C ATOM 1354 CG ARG A 85 -3.366 0.649 -0.096 1.00 1.23 C ATOM 1355 CD ARG A 85 -3.297 1.663 1.042 1.00 12.31 C ATOM 1356 NE ARG A 85 -1.903 1.907 1.456 1.00 3.21 N ATOM 1357 CZ ARG A 85 -1.167 2.983 1.134 1.00 14.01 C ATOM 1358 NH1 ARG A 85 -1.676 3.967 0.392 1.00 10.24 N ATOM 1359 NH2 ARG A 85 0.097 3.067 1.558 1.00 52.34 N ATOM 0 H ARG A 85 -7.461 -0.407 -0.914 1.00 44.32 H new ATOM 0 HA ARG A 85 -5.706 1.946 -0.490 1.00 34.21 H new ATOM 0 HB2 ARG A 85 -5.079 -0.318 0.741 1.00 11.21 H new ATOM 0 HB3 ARG A 85 -4.654 -0.874 -0.866 1.00 11.21 H new ATOM 0 HG2 ARG A 85 -2.628 -0.134 0.077 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -3.096 1.140 -1.031 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -3.754 2.600 0.725 1.00 12.31 H new ATOM 0 HD3 ARG A 85 -3.873 1.299 1.893 1.00 12.31 H new ATOM 0 HE ARG A 85 -1.459 1.196 2.038 1.00 3.21 H new ATOM 0 HH11 ARG A 85 -2.639 3.910 0.060 1.00 10.24 H new ATOM 0 HH12 ARG A 85 -1.103 4.777 0.157 1.00 10.24 H new ATOM 0 HH21 ARG A 85 0.497 2.317 2.122 1.00 52.34 H new ATOM 0 HH22 ARG A 85 0.663 3.881 1.318 1.00 52.34 H new ATOM 1373 N GLU A 86 -6.787 0.626 -3.092 1.00 64.21 N ATOM 1374 CA GLU A 86 -6.777 0.611 -4.556 1.00 51.11 C ATOM 1375 C GLU A 86 -6.921 2.029 -5.130 1.00 70.32 C ATOM 1376 O GLU A 86 -8.011 2.630 -4.972 1.00 31.50 O ATOM 1377 CB GLU A 86 -7.876 -0.313 -5.116 1.00 71.21 C ATOM 1378 CG GLU A 86 -7.718 -1.783 -4.727 1.00 10.53 C ATOM 1379 CD GLU A 86 -7.959 -2.726 -5.897 1.00 52.43 C ATOM 1380 OE1 GLU A 86 -9.124 -3.116 -6.132 1.00 22.31 O ATOM 1381 OE2 GLU A 86 -6.976 -3.082 -6.580 1.00 21.43 O ATOM 1382 OXT GLU A 86 -5.939 2.526 -5.732 1.00 36.79 O ATOM 0 H GLU A 86 -7.673 0.341 -2.675 1.00 64.21 H new ATOM 0 HA GLU A 86 -5.811 0.215 -4.868 1.00 51.11 H new ATOM 0 HB2 GLU A 86 -8.846 0.041 -4.766 1.00 71.21 H new ATOM 0 HB3 GLU A 86 -7.881 -0.235 -6.203 1.00 71.21 H new ATOM 0 HG2 GLU A 86 -6.714 -1.946 -4.335 1.00 10.53 H new ATOM 0 HG3 GLU A 86 -8.416 -2.020 -3.924 1.00 10.53 H new TER 1389 GLU A 86