USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 819 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 23 TYR OH : rot 0:sc= -0.25 USER MOD Set 1.2: A 65 SER OG : rot -144:sc= -1.71! USER MOD Set 1.3: A 74 GLN : amide:sc= -1.49! C(o=-3.5!,f=-11!) USER MOD Set 2.1: A 3 GLN : amide:sc= -0.103 X(o=-0.36,f=-0.54) USER MOD Set 2.2: A 7 GLN : amide:sc= -0.255 X(o=-0.36,f=-0.19) USER MOD Single : A 13 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.9!) USER MOD Single : A 14 GLN : amide:sc= 0.226 K(o=0.23,f=-0.35) USER MOD Single : A 17 LYS NZ :NH3+ -141:sc= 0.647 (180deg=-1.09!) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc=-0.00453 (180deg=-0.09) USER MOD Single : A 21 SER OG : rot 90:sc=-0.00762 USER MOD Single : A 22 THR OG1 : rot -74:sc=-0.00972 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -122:sc= -1.19 (180deg=-2.9) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc=-0.000976 K(o=-0.00098,f=-0.78) USER MOD Single : A 50 SER OG : rot 85:sc= 0.0269 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0451) USER MOD Single : A 59 ASN : amide:sc= -0.133 K(o=-0.13,f=-7.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.745 K(o=-0.75,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc=-0.00898 (180deg=-0.0915) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.18) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= -0.0465 (180deg=-0.344) USER MOD Single : A 95 LYS NZ :NH3+ 168:sc=-0.00638 (180deg=-0.165) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.589 USER MOD Single : A 97 LYS NZ :NH3+ -104:sc= 0.23 (180deg=-0.553) USER MOD Single : A 99 GLN : amide:sc= -0.445 K(o=-0.45,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -15.959 -3.393 9.802 1.00 10.42 N ATOM 21 CA ASP A 2 -16.480 -4.510 9.007 1.00 63.22 C ATOM 22 C ASP A 2 -15.449 -5.646 8.866 1.00 23.43 C ATOM 23 O ASP A 2 -14.240 -5.403 8.845 1.00 23.34 O ATOM 24 CB ASP A 2 -16.891 -3.999 7.620 1.00 62.42 C ATOM 25 CG ASP A 2 -17.849 -2.821 7.703 1.00 42.54 C ATOM 26 OD1 ASP A 2 -17.375 -1.677 7.890 1.00 13.10 O ATOM 27 OD2 ASP A 2 -19.078 -3.033 7.595 1.00 2.13 O ATOM 0 HA ASP A 2 -17.347 -4.919 9.526 1.00 63.22 H new ATOM 0 HB2 ASP A 2 -16.001 -3.703 7.065 1.00 62.42 H new ATOM 0 HB3 ASP A 2 -17.360 -4.808 7.061 1.00 62.42 H new ATOM 32 N GLN A 3 -15.936 -6.884 8.759 1.00 11.30 N ATOM 33 CA GLN A 3 -15.064 -8.053 8.572 1.00 61.34 C ATOM 34 C GLN A 3 -14.220 -7.905 7.297 1.00 40.41 C ATOM 35 O GLN A 3 -13.093 -8.397 7.224 1.00 24.22 O ATOM 36 CB GLN A 3 -15.905 -9.337 8.516 1.00 5.32 C ATOM 37 CG GLN A 3 -15.090 -10.629 8.440 1.00 63.14 C ATOM 38 CD GLN A 3 -14.143 -10.824 9.618 1.00 12.12 C ATOM 39 OE1 GLN A 3 -14.382 -10.344 10.721 1.00 73.35 O ATOM 40 NE2 GLN A 3 -13.073 -11.561 9.397 1.00 14.12 N ATOM 0 H GLN A 3 -16.931 -7.106 8.798 1.00 11.30 H new ATOM 0 HA GLN A 3 -14.384 -8.117 9.422 1.00 61.34 H new ATOM 0 HB2 GLN A 3 -16.543 -9.377 9.399 1.00 5.32 H new ATOM 0 HB3 GLN A 3 -16.564 -9.287 7.649 1.00 5.32 H new ATOM 0 HG2 GLN A 3 -15.773 -11.477 8.390 1.00 63.14 H new ATOM 0 HG3 GLN A 3 -14.512 -10.630 7.516 1.00 63.14 H new ATOM 0 HE21 GLN A 3 -12.902 -11.946 8.468 1.00 14.12 H new ATOM 0 HE22 GLN A 3 -12.416 -11.746 10.155 1.00 14.12 H new ATOM 49 N PHE A 4 -14.779 -7.225 6.295 1.00 64.43 N ATOM 50 CA PHE A 4 -14.027 -6.848 5.092 1.00 1.10 C ATOM 51 C PHE A 4 -12.753 -6.076 5.468 1.00 52.21 C ATOM 52 O PHE A 4 -11.655 -6.411 5.023 1.00 71.11 O ATOM 53 CB PHE A 4 -14.913 -5.993 4.166 1.00 11.41 C ATOM 54 CG PHE A 4 -14.158 -5.316 3.041 1.00 70.32 C ATOM 55 CD1 PHE A 4 -13.600 -6.058 2.011 1.00 23.21 C ATOM 56 CD2 PHE A 4 -14.009 -3.933 3.019 1.00 75.30 C ATOM 57 CE1 PHE A 4 -12.910 -5.439 0.985 1.00 51.30 C ATOM 58 CE2 PHE A 4 -13.321 -3.310 1.993 1.00 10.33 C ATOM 59 CZ PHE A 4 -12.770 -4.064 0.976 1.00 64.22 C ATOM 0 H PHE A 4 -15.753 -6.922 6.291 1.00 64.43 H new ATOM 0 HA PHE A 4 -13.734 -7.757 4.566 1.00 1.10 H new ATOM 0 HB2 PHE A 4 -15.690 -6.626 3.738 1.00 11.41 H new ATOM 0 HB3 PHE A 4 -15.415 -5.231 4.763 1.00 11.41 H new ATOM 0 HD1 PHE A 4 -13.706 -7.133 2.010 1.00 23.21 H new ATOM 0 HD2 PHE A 4 -14.436 -3.338 3.813 1.00 75.30 H new ATOM 0 HE1 PHE A 4 -12.480 -6.030 0.190 1.00 51.30 H new ATOM 0 HE2 PHE A 4 -13.215 -2.235 1.988 1.00 10.33 H new ATOM 0 HZ PHE A 4 -12.231 -3.580 0.175 1.00 64.22 H new ATOM 69 N LEU A 5 -12.921 -5.057 6.308 1.00 73.34 N ATOM 70 CA LEU A 5 -11.804 -4.236 6.782 1.00 50.40 C ATOM 71 C LEU A 5 -10.797 -5.075 7.581 1.00 74.35 C ATOM 72 O LEU A 5 -9.590 -4.983 7.366 1.00 15.24 O ATOM 73 CB LEU A 5 -12.333 -3.084 7.647 1.00 31.44 C ATOM 74 CG LEU A 5 -13.351 -2.164 6.952 1.00 73.43 C ATOM 75 CD1 LEU A 5 -13.905 -1.137 7.932 1.00 4.25 C ATOM 76 CD2 LEU A 5 -12.719 -1.473 5.744 1.00 31.04 C ATOM 0 H LEU A 5 -13.829 -4.776 6.679 1.00 73.34 H new ATOM 0 HA LEU A 5 -11.288 -3.829 5.912 1.00 50.40 H new ATOM 0 HB2 LEU A 5 -12.796 -3.503 8.541 1.00 31.44 H new ATOM 0 HB3 LEU A 5 -11.488 -2.481 7.979 1.00 31.44 H new ATOM 0 HG LEU A 5 -14.179 -2.778 6.598 1.00 73.43 H new ATOM 0 HD11 LEU A 5 -14.623 -0.496 7.420 1.00 4.25 H new ATOM 0 HD12 LEU A 5 -14.400 -1.651 8.756 1.00 4.25 H new ATOM 0 HD13 LEU A 5 -13.089 -0.528 8.321 1.00 4.25 H new ATOM 0 HD21 LEU A 5 -13.456 -0.827 5.267 1.00 31.04 H new ATOM 0 HD22 LEU A 5 -11.869 -0.874 6.071 1.00 31.04 H new ATOM 0 HD23 LEU A 5 -12.380 -2.225 5.031 1.00 31.04 H new ATOM 88 N VAL A 6 -11.302 -5.896 8.500 1.00 73.41 N ATOM 89 CA VAL A 6 -10.444 -6.756 9.326 1.00 43.52 C ATOM 90 C VAL A 6 -9.557 -7.672 8.462 1.00 75.44 C ATOM 91 O VAL A 6 -8.343 -7.741 8.654 1.00 74.21 O ATOM 92 CB VAL A 6 -11.282 -7.631 10.297 1.00 12.24 C ATOM 93 CG1 VAL A 6 -10.378 -8.480 11.193 1.00 62.13 C ATOM 94 CG2 VAL A 6 -12.219 -6.765 11.137 1.00 44.54 C ATOM 0 H VAL A 6 -12.299 -5.987 8.694 1.00 73.41 H new ATOM 0 HA VAL A 6 -9.806 -6.089 9.906 1.00 43.52 H new ATOM 0 HB VAL A 6 -11.890 -8.308 9.697 1.00 12.24 H new ATOM 0 HG11 VAL A 6 -10.992 -9.082 11.863 1.00 62.13 H new ATOM 0 HG12 VAL A 6 -9.765 -9.135 10.575 1.00 62.13 H new ATOM 0 HG13 VAL A 6 -9.732 -7.828 11.781 1.00 62.13 H new ATOM 0 HG21 VAL A 6 -12.796 -7.400 11.810 1.00 44.54 H new ATOM 0 HG22 VAL A 6 -11.633 -6.056 11.721 1.00 44.54 H new ATOM 0 HG23 VAL A 6 -12.898 -6.221 10.480 1.00 44.54 H new ATOM 104 N GLN A 7 -10.175 -8.353 7.498 1.00 21.52 N ATOM 105 CA GLN A 7 -9.464 -9.296 6.620 1.00 4.02 C ATOM 106 C GLN A 7 -8.352 -8.613 5.807 1.00 43.34 C ATOM 107 O GLN A 7 -7.190 -9.017 5.873 1.00 63.41 O ATOM 108 CB GLN A 7 -10.462 -9.984 5.678 1.00 64.02 C ATOM 109 CG GLN A 7 -11.434 -10.921 6.391 1.00 72.41 C ATOM 110 CD GLN A 7 -10.753 -12.160 6.951 1.00 32.34 C ATOM 111 OE1 GLN A 7 -10.655 -13.186 6.287 1.00 63.43 O ATOM 112 NE2 GLN A 7 -10.273 -12.076 8.172 1.00 52.55 N ATOM 0 H GLN A 7 -11.172 -8.272 7.300 1.00 21.52 H new ATOM 0 HA GLN A 7 -8.985 -10.040 7.257 1.00 4.02 H new ATOM 0 HB2 GLN A 7 -11.031 -9.221 5.146 1.00 64.02 H new ATOM 0 HB3 GLN A 7 -9.909 -10.550 4.928 1.00 64.02 H new ATOM 0 HG2 GLN A 7 -11.922 -10.382 7.203 1.00 72.41 H new ATOM 0 HG3 GLN A 7 -12.216 -11.225 5.695 1.00 72.41 H new ATOM 0 HE21 GLN A 7 -10.370 -11.208 8.700 1.00 52.55 H new ATOM 0 HE22 GLN A 7 -9.804 -12.878 8.592 1.00 52.55 H new ATOM 121 N ILE A 8 -8.706 -7.575 5.049 1.00 70.21 N ATOM 122 CA ILE A 8 -7.730 -6.883 4.195 1.00 15.35 C ATOM 123 C ILE A 8 -6.560 -6.301 5.015 1.00 23.35 C ATOM 124 O ILE A 8 -5.394 -6.458 4.642 1.00 21.24 O ATOM 125 CB ILE A 8 -8.393 -5.761 3.349 1.00 2.22 C ATOM 126 CG1 ILE A 8 -9.071 -4.714 4.250 1.00 52.02 C ATOM 127 CG2 ILE A 8 -9.399 -6.363 2.366 1.00 65.21 C ATOM 128 CD1 ILE A 8 -9.754 -3.592 3.492 1.00 13.22 C ATOM 0 H ILE A 8 -9.651 -7.195 5.006 1.00 70.21 H new ATOM 0 HA ILE A 8 -7.332 -7.636 3.515 1.00 15.35 H new ATOM 0 HB ILE A 8 -7.612 -5.255 2.782 1.00 2.22 H new ATOM 0 HG12 ILE A 8 -9.808 -5.214 4.879 1.00 52.02 H new ATOM 0 HG13 ILE A 8 -8.323 -4.285 4.916 1.00 52.02 H new ATOM 0 HG21 ILE A 8 -9.856 -5.566 1.780 1.00 65.21 H new ATOM 0 HG22 ILE A 8 -8.886 -7.056 1.699 1.00 65.21 H new ATOM 0 HG23 ILE A 8 -10.173 -6.897 2.918 1.00 65.21 H new ATOM 0 HD11 ILE A 8 -10.207 -2.898 4.200 1.00 13.22 H new ATOM 0 HD12 ILE A 8 -9.019 -3.064 2.884 1.00 13.22 H new ATOM 0 HD13 ILE A 8 -10.528 -4.007 2.846 1.00 13.22 H new ATOM 140 N PHE A 9 -6.871 -5.650 6.138 1.00 70.15 N ATOM 141 CA PHE A 9 -5.836 -5.072 7.006 1.00 11.53 C ATOM 142 C PHE A 9 -4.944 -6.167 7.611 1.00 40.31 C ATOM 143 O PHE A 9 -3.718 -6.027 7.672 1.00 40.13 O ATOM 144 CB PHE A 9 -6.473 -4.231 8.125 1.00 51.22 C ATOM 145 CG PHE A 9 -7.273 -3.042 7.636 1.00 3.55 C ATOM 146 CD1 PHE A 9 -7.116 -2.549 6.346 1.00 51.41 C ATOM 147 CD2 PHE A 9 -8.176 -2.411 8.479 1.00 22.31 C ATOM 148 CE1 PHE A 9 -7.844 -1.459 5.912 1.00 11.14 C ATOM 149 CE2 PHE A 9 -8.907 -1.322 8.046 1.00 71.12 C ATOM 150 CZ PHE A 9 -8.741 -0.844 6.763 1.00 73.41 C ATOM 0 H PHE A 9 -7.825 -5.509 6.469 1.00 70.15 H new ATOM 0 HA PHE A 9 -5.212 -4.424 6.391 1.00 11.53 H new ATOM 0 HB2 PHE A 9 -7.124 -4.872 8.719 1.00 51.22 H new ATOM 0 HB3 PHE A 9 -5.685 -3.875 8.789 1.00 51.22 H new ATOM 0 HD1 PHE A 9 -6.416 -3.024 5.675 1.00 51.41 H new ATOM 0 HD2 PHE A 9 -8.309 -2.776 9.487 1.00 22.31 H new ATOM 0 HE1 PHE A 9 -7.712 -1.087 4.907 1.00 11.14 H new ATOM 0 HE2 PHE A 9 -9.609 -0.844 8.713 1.00 71.12 H new ATOM 0 HZ PHE A 9 -9.311 0.009 6.425 1.00 73.41 H new ATOM 160 N ALA A 10 -5.567 -7.264 8.041 1.00 71.24 N ATOM 161 CA ALA A 10 -4.837 -8.399 8.613 1.00 13.22 C ATOM 162 C ALA A 10 -3.774 -8.926 7.640 1.00 62.34 C ATOM 163 O ALA A 10 -2.680 -9.310 8.049 1.00 4.10 O ATOM 164 CB ALA A 10 -5.808 -9.512 8.998 1.00 24.32 C ATOM 0 H ALA A 10 -6.578 -7.392 8.005 1.00 71.24 H new ATOM 0 HA ALA A 10 -4.324 -8.052 9.510 1.00 13.22 H new ATOM 0 HB1 ALA A 10 -5.253 -10.349 9.422 1.00 24.32 H new ATOM 0 HB2 ALA A 10 -6.517 -9.137 9.736 1.00 24.32 H new ATOM 0 HB3 ALA A 10 -6.348 -9.846 8.112 1.00 24.32 H new ATOM 170 N VAL A 11 -4.101 -8.928 6.349 1.00 60.02 N ATOM 171 CA VAL A 11 -3.161 -9.367 5.311 1.00 1.31 C ATOM 172 C VAL A 11 -2.001 -8.367 5.150 1.00 63.44 C ATOM 173 O VAL A 11 -0.852 -8.755 4.929 1.00 12.25 O ATOM 174 CB VAL A 11 -3.873 -9.552 3.945 1.00 63.22 C ATOM 175 CG1 VAL A 11 -2.886 -10.008 2.871 1.00 51.42 C ATOM 176 CG2 VAL A 11 -5.033 -10.540 4.070 1.00 5.53 C ATOM 0 H VAL A 11 -5.010 -8.631 5.993 1.00 60.02 H new ATOM 0 HA VAL A 11 -2.760 -10.328 5.633 1.00 1.31 H new ATOM 0 HB VAL A 11 -4.278 -8.587 3.642 1.00 63.22 H new ATOM 0 HG11 VAL A 11 -3.410 -10.130 1.923 1.00 51.42 H new ATOM 0 HG12 VAL A 11 -2.101 -9.261 2.757 1.00 51.42 H new ATOM 0 HG13 VAL A 11 -2.442 -10.959 3.165 1.00 51.42 H new ATOM 0 HG21 VAL A 11 -5.519 -10.655 3.101 1.00 5.53 H new ATOM 0 HG22 VAL A 11 -4.654 -11.506 4.403 1.00 5.53 H new ATOM 0 HG23 VAL A 11 -5.755 -10.164 4.795 1.00 5.53 H new ATOM 186 N ILE A 12 -2.315 -7.078 5.280 1.00 40.32 N ATOM 187 CA ILE A 12 -1.314 -6.009 5.149 1.00 14.00 C ATOM 188 C ILE A 12 -0.211 -6.110 6.222 1.00 4.13 C ATOM 189 O ILE A 12 0.953 -5.798 5.960 1.00 25.52 O ATOM 190 CB ILE A 12 -1.988 -4.614 5.228 1.00 34.22 C ATOM 191 CG1 ILE A 12 -3.059 -4.476 4.131 1.00 53.11 C ATOM 192 CG2 ILE A 12 -0.948 -3.496 5.106 1.00 62.21 C ATOM 193 CD1 ILE A 12 -3.869 -3.200 4.219 1.00 72.13 C ATOM 0 H ILE A 12 -3.258 -6.744 5.477 1.00 40.32 H new ATOM 0 HA ILE A 12 -0.847 -6.134 4.172 1.00 14.00 H new ATOM 0 HB ILE A 12 -2.470 -4.522 6.201 1.00 34.22 H new ATOM 0 HG12 ILE A 12 -2.574 -4.520 3.156 1.00 53.11 H new ATOM 0 HG13 ILE A 12 -3.736 -5.329 4.189 1.00 53.11 H new ATOM 0 HG21 ILE A 12 -1.446 -2.528 5.164 1.00 62.21 H new ATOM 0 HG22 ILE A 12 -0.225 -3.582 5.917 1.00 62.21 H new ATOM 0 HG23 ILE A 12 -0.432 -3.582 4.150 1.00 62.21 H new ATOM 0 HD11 ILE A 12 -4.602 -3.178 3.412 1.00 72.13 H new ATOM 0 HD12 ILE A 12 -4.385 -3.162 5.179 1.00 72.13 H new ATOM 0 HD13 ILE A 12 -3.205 -2.340 4.130 1.00 72.13 H new ATOM 205 N HIS A 13 -0.574 -6.559 7.425 1.00 70.42 N ATOM 206 CA HIS A 13 0.397 -6.702 8.528 1.00 55.15 C ATOM 207 C HIS A 13 1.541 -7.694 8.200 1.00 70.14 C ATOM 208 O HIS A 13 2.538 -7.754 8.923 1.00 40.10 O ATOM 209 CB HIS A 13 -0.316 -7.137 9.818 1.00 53.34 C ATOM 210 CG HIS A 13 -1.167 -6.065 10.438 1.00 23.45 C ATOM 211 ND1 HIS A 13 -0.610 -5.029 11.152 1.00 2.30 N ATOM 212 CD2 HIS A 13 -2.513 -5.922 10.438 1.00 31.32 C ATOM 213 CE1 HIS A 13 -1.622 -4.288 11.565 1.00 4.41 C ATOM 214 NE2 HIS A 13 -2.793 -4.788 11.158 1.00 11.34 N ATOM 0 H HIS A 13 -1.527 -6.830 7.666 1.00 70.42 H new ATOM 0 HA HIS A 13 0.852 -5.722 8.670 1.00 55.15 H new ATOM 0 HB2 HIS A 13 -0.942 -8.003 9.601 1.00 53.34 H new ATOM 0 HB3 HIS A 13 0.432 -7.458 10.543 1.00 53.34 H new ATOM 0 HD2 HIS A 13 -3.229 -6.575 9.962 1.00 31.32 H new ATOM 0 HE1 HIS A 13 -1.517 -3.391 12.157 1.00 4.41 H new ATOM 0 HE2 HIS A 13 -3.718 -4.401 11.347 1.00 11.34 H new ATOM 222 N GLN A 14 1.398 -8.470 7.120 1.00 20.13 N ATOM 223 CA GLN A 14 2.437 -9.439 6.719 1.00 25.42 C ATOM 224 C GLN A 14 3.514 -8.818 5.806 1.00 32.34 C ATOM 225 O GLN A 14 4.497 -9.481 5.468 1.00 63.34 O ATOM 226 CB GLN A 14 1.811 -10.659 6.014 1.00 32.51 C ATOM 227 CG GLN A 14 1.242 -11.716 6.957 1.00 21.12 C ATOM 228 CD GLN A 14 0.085 -11.209 7.795 1.00 44.35 C ATOM 229 OE1 GLN A 14 0.269 -10.704 8.898 1.00 41.13 O ATOM 230 NE2 GLN A 14 -1.118 -11.342 7.281 1.00 21.03 N ATOM 0 H GLN A 14 0.582 -8.451 6.509 1.00 20.13 H new ATOM 0 HA GLN A 14 2.925 -9.756 7.641 1.00 25.42 H new ATOM 0 HB2 GLN A 14 1.015 -10.312 5.355 1.00 32.51 H new ATOM 0 HB3 GLN A 14 2.567 -11.124 5.382 1.00 32.51 H new ATOM 0 HG2 GLN A 14 0.910 -12.574 6.372 1.00 21.12 H new ATOM 0 HG3 GLN A 14 2.034 -12.068 7.618 1.00 21.12 H new ATOM 0 HE21 GLN A 14 -1.235 -11.766 6.361 1.00 21.03 H new ATOM 0 HE22 GLN A 14 -1.934 -11.021 7.802 1.00 21.03 H new ATOM 239 N ILE A 15 3.336 -7.561 5.404 1.00 51.05 N ATOM 240 CA ILE A 15 4.302 -6.899 4.513 1.00 10.43 C ATOM 241 C ILE A 15 5.571 -6.462 5.280 1.00 12.05 C ATOM 242 O ILE A 15 5.507 -5.608 6.167 1.00 4.13 O ATOM 243 CB ILE A 15 3.676 -5.668 3.809 1.00 11.42 C ATOM 244 CG1 ILE A 15 2.375 -6.067 3.090 1.00 4.14 C ATOM 245 CG2 ILE A 15 4.669 -5.057 2.818 1.00 31.43 C ATOM 246 CD1 ILE A 15 1.651 -4.902 2.449 1.00 63.40 C ATOM 0 H ILE A 15 2.542 -6.981 5.675 1.00 51.05 H new ATOM 0 HA ILE A 15 4.582 -7.632 3.756 1.00 10.43 H new ATOM 0 HB ILE A 15 3.439 -4.920 4.565 1.00 11.42 H new ATOM 0 HG12 ILE A 15 2.606 -6.806 2.323 1.00 4.14 H new ATOM 0 HG13 ILE A 15 1.708 -6.548 3.805 1.00 4.14 H new ATOM 0 HG21 ILE A 15 4.214 -4.194 2.332 1.00 31.43 H new ATOM 0 HG22 ILE A 15 5.567 -4.742 3.350 1.00 31.43 H new ATOM 0 HG23 ILE A 15 4.935 -5.799 2.065 1.00 31.43 H new ATOM 0 HD11 ILE A 15 0.744 -5.261 1.962 1.00 63.40 H new ATOM 0 HD12 ILE A 15 1.387 -4.172 3.214 1.00 63.40 H new ATOM 0 HD13 ILE A 15 2.299 -4.433 1.709 1.00 63.40 H new ATOM 258 N PRO A 16 6.744 -7.044 4.944 1.00 64.11 N ATOM 259 CA PRO A 16 8.014 -6.749 5.638 1.00 1.12 C ATOM 260 C PRO A 16 8.525 -5.317 5.400 1.00 4.23 C ATOM 261 O PRO A 16 8.165 -4.658 4.416 1.00 42.43 O ATOM 262 CB PRO A 16 8.991 -7.775 5.043 1.00 43.34 C ATOM 263 CG PRO A 16 8.423 -8.105 3.705 1.00 60.34 C ATOM 264 CD PRO A 16 6.928 -8.036 3.867 1.00 33.55 C ATOM 0 HA PRO A 16 7.899 -6.816 6.720 1.00 1.12 H new ATOM 0 HB2 PRO A 16 9.996 -7.361 4.956 1.00 43.34 H new ATOM 0 HB3 PRO A 16 9.065 -8.662 5.672 1.00 43.34 H new ATOM 0 HG2 PRO A 16 8.768 -7.400 2.949 1.00 60.34 H new ATOM 0 HG3 PRO A 16 8.736 -9.098 3.381 1.00 60.34 H new ATOM 0 HD2 PRO A 16 6.438 -7.723 2.945 1.00 33.55 H new ATOM 0 HD3 PRO A 16 6.508 -9.005 4.138 1.00 33.55 H new ATOM 272 N LYS A 17 9.391 -4.853 6.298 1.00 54.12 N ATOM 273 CA LYS A 17 9.911 -3.488 6.239 1.00 32.03 C ATOM 274 C LYS A 17 10.806 -3.281 5.004 1.00 32.31 C ATOM 275 O LYS A 17 11.986 -3.644 5.001 1.00 15.02 O ATOM 276 CB LYS A 17 10.692 -3.158 7.521 1.00 41.53 C ATOM 277 CG LYS A 17 11.030 -1.678 7.658 1.00 32.53 C ATOM 278 CD LYS A 17 11.887 -1.394 8.889 1.00 64.53 C ATOM 279 CE LYS A 17 12.047 0.104 9.130 1.00 60.20 C ATOM 280 NZ LYS A 17 10.767 0.742 9.537 1.00 73.51 N ATOM 0 H LYS A 17 9.749 -5.404 7.078 1.00 54.12 H new ATOM 0 HA LYS A 17 9.061 -2.811 6.156 1.00 32.03 H new ATOM 0 HB2 LYS A 17 10.107 -3.471 8.385 1.00 41.53 H new ATOM 0 HB3 LYS A 17 11.615 -3.737 7.535 1.00 41.53 H new ATOM 0 HG2 LYS A 17 11.558 -1.343 6.765 1.00 32.53 H new ATOM 0 HG3 LYS A 17 10.108 -1.100 7.718 1.00 32.53 H new ATOM 0 HD2 LYS A 17 11.432 -1.857 9.764 1.00 64.53 H new ATOM 0 HD3 LYS A 17 12.869 -1.849 8.762 1.00 64.53 H new ATOM 0 HE2 LYS A 17 12.797 0.269 9.904 1.00 60.20 H new ATOM 0 HE3 LYS A 17 12.417 0.580 8.222 1.00 60.20 H new ATOM 0 HZ1 LYS A 17 10.685 1.675 9.085 1.00 73.51 H new ATOM 0 HZ2 LYS A 17 9.971 0.143 9.240 1.00 73.51 H new ATOM 0 HZ3 LYS A 17 10.749 0.855 10.571 1.00 73.51 H new ATOM 294 N GLY A 18 10.225 -2.731 3.944 1.00 14.44 N ATOM 295 CA GLY A 18 10.988 -2.424 2.736 1.00 15.25 C ATOM 296 C GLY A 18 10.263 -2.820 1.456 1.00 70.55 C ATOM 297 O GLY A 18 10.543 -2.287 0.384 1.00 62.40 O ATOM 0 H GLY A 18 9.235 -2.489 3.894 1.00 14.44 H new ATOM 0 HA2 GLY A 18 11.202 -1.355 2.710 1.00 15.25 H new ATOM 0 HA3 GLY A 18 11.947 -2.940 2.778 1.00 15.25 H new ATOM 301 N LYS A 19 9.322 -3.755 1.569 1.00 50.22 N ATOM 302 CA LYS A 19 8.560 -4.231 0.407 1.00 35.21 C ATOM 303 C LYS A 19 7.185 -3.546 0.299 1.00 62.23 C ATOM 304 O LYS A 19 6.707 -2.917 1.251 1.00 2.25 O ATOM 305 CB LYS A 19 8.378 -5.757 0.481 1.00 31.43 C ATOM 306 CG LYS A 19 9.691 -6.540 0.459 1.00 45.14 C ATOM 307 CD LYS A 19 10.468 -6.308 -0.840 1.00 34.14 C ATOM 308 CE LYS A 19 11.806 -7.036 -0.843 1.00 12.05 C ATOM 309 NZ LYS A 19 11.643 -8.509 -0.748 1.00 54.42 N ATOM 0 H LYS A 19 9.066 -4.200 2.450 1.00 50.22 H new ATOM 0 HA LYS A 19 9.131 -3.972 -0.485 1.00 35.21 H new ATOM 0 HB2 LYS A 19 7.834 -6.004 1.393 1.00 31.43 H new ATOM 0 HB3 LYS A 19 7.760 -6.080 -0.356 1.00 31.43 H new ATOM 0 HG2 LYS A 19 10.306 -6.243 1.309 1.00 45.14 H new ATOM 0 HG3 LYS A 19 9.482 -7.604 0.573 1.00 45.14 H new ATOM 0 HD2 LYS A 19 9.869 -6.646 -1.686 1.00 34.14 H new ATOM 0 HD3 LYS A 19 10.636 -5.240 -0.976 1.00 34.14 H new ATOM 0 HE2 LYS A 19 12.349 -6.790 -1.755 1.00 12.05 H new ATOM 0 HE3 LYS A 19 12.411 -6.684 -0.007 1.00 12.05 H new ATOM 0 HZ1 LYS A 19 12.564 -8.970 -0.889 1.00 54.42 H new ATOM 0 HZ2 LYS A 19 11.272 -8.757 0.191 1.00 54.42 H new ATOM 0 HZ3 LYS A 19 10.978 -8.833 -1.479 1.00 54.42 H new ATOM 323 N VAL A 20 6.566 -3.673 -0.874 1.00 31.01 N ATOM 324 CA VAL A 20 5.228 -3.129 -1.134 1.00 32.50 C ATOM 325 C VAL A 20 4.364 -4.154 -1.883 1.00 43.52 C ATOM 326 O VAL A 20 4.883 -5.060 -2.541 1.00 24.25 O ATOM 327 CB VAL A 20 5.284 -1.816 -1.966 1.00 73.25 C ATOM 328 CG1 VAL A 20 6.052 -0.723 -1.222 1.00 65.30 C ATOM 329 CG2 VAL A 20 5.894 -2.066 -3.349 1.00 23.52 C ATOM 0 H VAL A 20 6.976 -4.156 -1.673 1.00 31.01 H new ATOM 0 HA VAL A 20 4.786 -2.906 -0.163 1.00 32.50 H new ATOM 0 HB VAL A 20 4.260 -1.470 -2.107 1.00 73.25 H new ATOM 0 HG11 VAL A 20 6.075 0.183 -1.828 1.00 65.30 H new ATOM 0 HG12 VAL A 20 5.558 -0.513 -0.273 1.00 65.30 H new ATOM 0 HG13 VAL A 20 7.072 -1.059 -1.033 1.00 65.30 H new ATOM 0 HG21 VAL A 20 5.921 -1.131 -3.909 1.00 23.52 H new ATOM 0 HG22 VAL A 20 6.908 -2.450 -3.235 1.00 23.52 H new ATOM 0 HG23 VAL A 20 5.288 -2.794 -3.888 1.00 23.52 H new ATOM 339 N SER A 21 3.049 -4.010 -1.783 1.00 41.40 N ATOM 340 CA SER A 21 2.115 -4.903 -2.482 1.00 75.40 C ATOM 341 C SER A 21 1.060 -4.101 -3.248 1.00 15.31 C ATOM 342 O SER A 21 0.988 -2.875 -3.136 1.00 71.24 O ATOM 343 CB SER A 21 1.421 -5.845 -1.488 1.00 4.51 C ATOM 344 OG SER A 21 0.610 -5.124 -0.573 1.00 10.54 O ATOM 0 H SER A 21 2.598 -3.284 -1.226 1.00 41.40 H new ATOM 0 HA SER A 21 2.692 -5.494 -3.193 1.00 75.40 H new ATOM 0 HB2 SER A 21 0.808 -6.564 -2.032 1.00 4.51 H new ATOM 0 HB3 SER A 21 2.171 -6.416 -0.941 1.00 4.51 H new ATOM 0 HG SER A 21 -0.295 -5.034 -0.938 1.00 10.54 H new ATOM 350 N THR A 22 0.251 -4.796 -4.040 1.00 13.24 N ATOM 351 CA THR A 22 -0.836 -4.152 -4.790 1.00 13.20 C ATOM 352 C THR A 22 -2.208 -4.512 -4.204 1.00 15.24 C ATOM 353 O THR A 22 -2.384 -5.582 -3.610 1.00 0.14 O ATOM 354 CB THR A 22 -0.821 -4.544 -6.286 1.00 11.21 C ATOM 355 OG1 THR A 22 -1.119 -5.942 -6.439 1.00 1.15 O ATOM 356 CG2 THR A 22 0.534 -4.242 -6.916 1.00 31.25 C ATOM 0 H THR A 22 0.322 -5.803 -4.183 1.00 13.24 H new ATOM 0 HA THR A 22 -0.669 -3.078 -4.703 1.00 13.20 H new ATOM 0 HB THR A 22 -1.583 -3.953 -6.794 1.00 11.21 H new ATOM 0 HG1 THR A 22 -0.345 -6.474 -6.158 1.00 1.15 H new ATOM 0 HG21 THR A 22 0.518 -4.527 -7.968 1.00 31.25 H new ATOM 0 HG22 THR A 22 0.745 -3.176 -6.832 1.00 31.25 H new ATOM 0 HG23 THR A 22 1.310 -4.807 -6.399 1.00 31.25 H new ATOM 364 N TYR A 23 -3.179 -3.615 -4.381 1.00 1.03 N ATOM 365 CA TYR A 23 -4.543 -3.830 -3.879 1.00 75.11 C ATOM 366 C TYR A 23 -5.150 -5.144 -4.388 1.00 13.25 C ATOM 367 O TYR A 23 -5.911 -5.800 -3.673 1.00 11.23 O ATOM 368 CB TYR A 23 -5.443 -2.646 -4.257 1.00 33.30 C ATOM 369 CG TYR A 23 -5.066 -1.374 -3.528 1.00 42.42 C ATOM 370 CD1 TYR A 23 -5.261 -1.266 -2.158 1.00 21.25 C ATOM 371 CD2 TYR A 23 -4.498 -0.295 -4.198 1.00 3.40 C ATOM 372 CE1 TYR A 23 -4.905 -0.126 -1.476 1.00 4.25 C ATOM 373 CE2 TYR A 23 -4.134 0.853 -3.516 1.00 40.01 C ATOM 374 CZ TYR A 23 -4.342 0.931 -2.156 1.00 30.31 C ATOM 375 OH TYR A 23 -3.980 2.064 -1.468 1.00 74.14 O ATOM 0 H TYR A 23 -3.049 -2.729 -4.869 1.00 1.03 H new ATOM 0 HA TYR A 23 -4.480 -3.903 -2.793 1.00 75.11 H new ATOM 0 HB2 TYR A 23 -5.382 -2.476 -5.332 1.00 33.30 H new ATOM 0 HB3 TYR A 23 -6.480 -2.896 -4.032 1.00 33.30 H new ATOM 0 HD1 TYR A 23 -5.700 -2.092 -1.618 1.00 21.25 H new ATOM 0 HD2 TYR A 23 -4.339 -0.354 -5.265 1.00 3.40 H new ATOM 0 HE1 TYR A 23 -5.066 -0.060 -0.410 1.00 4.25 H new ATOM 0 HE2 TYR A 23 -3.690 1.682 -4.046 1.00 40.01 H new ATOM 0 HH TYR A 23 -4.185 1.948 -0.517 1.00 74.14 H new ATOM 385 N GLY A 24 -4.806 -5.527 -5.618 1.00 44.22 N ATOM 386 CA GLY A 24 -5.264 -6.801 -6.162 1.00 35.03 C ATOM 387 C GLY A 24 -4.811 -7.991 -5.319 1.00 70.45 C ATOM 388 O GLY A 24 -5.618 -8.851 -4.958 1.00 23.43 O ATOM 0 H GLY A 24 -4.219 -4.980 -6.248 1.00 44.22 H new ATOM 0 HA2 GLY A 24 -6.352 -6.796 -6.224 1.00 35.03 H new ATOM 0 HA3 GLY A 24 -4.888 -6.915 -7.179 1.00 35.03 H new ATOM 392 N GLU A 25 -3.519 -8.025 -4.987 1.00 14.14 N ATOM 393 CA GLU A 25 -2.951 -9.094 -4.154 1.00 51.43 C ATOM 394 C GLU A 25 -3.634 -9.159 -2.775 1.00 72.34 C ATOM 395 O GLU A 25 -4.105 -10.217 -2.352 1.00 3.43 O ATOM 396 CB GLU A 25 -1.436 -8.877 -3.986 1.00 33.11 C ATOM 397 CG GLU A 25 -0.657 -8.944 -5.300 1.00 31.21 C ATOM 398 CD GLU A 25 0.810 -8.568 -5.147 1.00 64.55 C ATOM 399 OE1 GLU A 25 1.116 -7.357 -5.144 1.00 1.04 O ATOM 400 OE2 GLU A 25 1.662 -9.478 -5.052 1.00 2.41 O ATOM 0 H GLU A 25 -2.841 -7.322 -5.282 1.00 14.14 H new ATOM 0 HA GLU A 25 -3.128 -10.044 -4.657 1.00 51.43 H new ATOM 0 HB2 GLU A 25 -1.266 -7.905 -3.522 1.00 33.11 H new ATOM 0 HB3 GLU A 25 -1.044 -9.630 -3.302 1.00 33.11 H new ATOM 0 HG2 GLU A 25 -0.726 -9.954 -5.705 1.00 31.21 H new ATOM 0 HG3 GLU A 25 -1.123 -8.277 -6.025 1.00 31.21 H new ATOM 407 N ILE A 26 -3.689 -8.019 -2.084 1.00 22.13 N ATOM 408 CA ILE A 26 -4.287 -7.952 -0.743 1.00 64.30 C ATOM 409 C ILE A 26 -5.765 -8.381 -0.750 1.00 33.25 C ATOM 410 O ILE A 26 -6.180 -9.228 0.045 1.00 12.42 O ATOM 411 CB ILE A 26 -4.168 -6.522 -0.150 1.00 13.41 C ATOM 412 CG1 ILE A 26 -2.690 -6.108 -0.030 1.00 1.32 C ATOM 413 CG2 ILE A 26 -4.864 -6.433 1.210 1.00 64.53 C ATOM 414 CD1 ILE A 26 -1.869 -6.993 0.889 1.00 32.41 C ATOM 0 H ILE A 26 -3.328 -7.129 -2.427 1.00 22.13 H new ATOM 0 HA ILE A 26 -3.730 -8.649 -0.118 1.00 64.30 H new ATOM 0 HB ILE A 26 -4.666 -5.831 -0.830 1.00 13.41 H new ATOM 0 HG12 ILE A 26 -2.240 -6.118 -1.023 1.00 1.32 H new ATOM 0 HG13 ILE A 26 -2.640 -5.081 0.333 1.00 1.32 H new ATOM 0 HG21 ILE A 26 -4.766 -5.421 1.603 1.00 64.53 H new ATOM 0 HG22 ILE A 26 -5.920 -6.677 1.095 1.00 64.53 H new ATOM 0 HG23 ILE A 26 -4.402 -7.138 1.902 1.00 64.53 H new ATOM 0 HD11 ILE A 26 -0.841 -6.633 0.918 1.00 32.41 H new ATOM 0 HD12 ILE A 26 -2.291 -6.965 1.894 1.00 32.41 H new ATOM 0 HD13 ILE A 26 -1.885 -8.017 0.517 1.00 32.41 H new ATOM 426 N ALA A 27 -6.548 -7.802 -1.659 1.00 72.43 N ATOM 427 CA ALA A 27 -7.981 -8.098 -1.756 1.00 24.43 C ATOM 428 C ALA A 27 -8.246 -9.591 -2.009 1.00 74.13 C ATOM 429 O ALA A 27 -9.038 -10.220 -1.304 1.00 25.15 O ATOM 430 CB ALA A 27 -8.616 -7.251 -2.853 1.00 13.55 C ATOM 0 H ALA A 27 -6.215 -7.122 -2.342 1.00 72.43 H new ATOM 0 HA ALA A 27 -8.436 -7.848 -0.798 1.00 24.43 H new ATOM 0 HB1 ALA A 27 -9.680 -7.478 -2.918 1.00 13.55 H new ATOM 0 HB2 ALA A 27 -8.484 -6.195 -2.620 1.00 13.55 H new ATOM 0 HB3 ALA A 27 -8.139 -7.474 -3.807 1.00 13.55 H new ATOM 436 N LYS A 28 -7.572 -10.159 -3.009 1.00 0.13 N ATOM 437 CA LYS A 28 -7.754 -11.575 -3.352 1.00 74.20 C ATOM 438 C LYS A 28 -7.339 -12.496 -2.194 1.00 75.22 C ATOM 439 O LYS A 28 -8.045 -13.453 -1.868 1.00 54.13 O ATOM 440 CB LYS A 28 -6.964 -11.936 -4.618 1.00 72.21 C ATOM 441 CG LYS A 28 -7.413 -11.176 -5.866 1.00 15.42 C ATOM 442 CD LYS A 28 -6.676 -11.648 -7.118 1.00 55.13 C ATOM 443 CE LYS A 28 -7.018 -13.093 -7.464 1.00 15.34 C ATOM 444 NZ LYS A 28 -6.244 -13.591 -8.630 1.00 31.22 N ATOM 0 H LYS A 28 -6.898 -9.666 -3.595 1.00 0.13 H new ATOM 0 HA LYS A 28 -8.816 -11.727 -3.542 1.00 74.20 H new ATOM 0 HB2 LYS A 28 -5.907 -11.737 -4.444 1.00 72.21 H new ATOM 0 HB3 LYS A 28 -7.060 -13.006 -4.802 1.00 72.21 H new ATOM 0 HG2 LYS A 28 -8.486 -11.309 -6.005 1.00 15.42 H new ATOM 0 HG3 LYS A 28 -7.239 -10.109 -5.723 1.00 15.42 H new ATOM 0 HD2 LYS A 28 -6.934 -11.002 -7.957 1.00 55.13 H new ATOM 0 HD3 LYS A 28 -5.601 -11.556 -6.964 1.00 55.13 H new ATOM 0 HE2 LYS A 28 -6.819 -13.728 -6.601 1.00 15.34 H new ATOM 0 HE3 LYS A 28 -8.084 -13.171 -7.678 1.00 15.34 H new ATOM 0 HZ1 LYS A 28 -6.510 -14.577 -8.828 1.00 31.22 H new ATOM 0 HZ2 LYS A 28 -6.452 -13.003 -9.462 1.00 31.22 H new ATOM 0 HZ3 LYS A 28 -5.227 -13.543 -8.418 1.00 31.22 H new ATOM 458 N MET A 29 -6.201 -12.201 -1.568 1.00 42.34 N ATOM 459 CA MET A 29 -5.722 -13.007 -0.438 1.00 25.24 C ATOM 460 C MET A 29 -6.615 -12.831 0.803 1.00 24.55 C ATOM 461 O MET A 29 -6.658 -13.702 1.673 1.00 2.22 O ATOM 462 CB MET A 29 -4.263 -12.663 -0.101 1.00 0.41 C ATOM 463 CG MET A 29 -3.272 -13.075 -1.186 1.00 40.22 C ATOM 464 SD MET A 29 -1.552 -12.807 -0.706 1.00 4.24 S ATOM 465 CE MET A 29 -1.515 -11.025 -0.510 1.00 14.45 C ATOM 0 H MET A 29 -5.596 -11.419 -1.818 1.00 42.34 H new ATOM 0 HA MET A 29 -5.773 -14.053 -0.740 1.00 25.24 H new ATOM 0 HB2 MET A 29 -4.181 -11.589 0.066 1.00 0.41 H new ATOM 0 HB3 MET A 29 -3.990 -13.152 0.834 1.00 0.41 H new ATOM 0 HG2 MET A 29 -3.418 -14.129 -1.423 1.00 40.22 H new ATOM 0 HG3 MET A 29 -3.482 -12.512 -2.095 1.00 40.22 H new ATOM 0 HE1 MET A 29 -0.761 -10.602 -1.173 1.00 14.45 H new ATOM 0 HE2 MET A 29 -2.492 -10.611 -0.760 1.00 14.45 H new ATOM 0 HE3 MET A 29 -1.270 -10.778 0.523 1.00 14.45 H new ATOM 475 N ALA A 30 -7.315 -11.700 0.880 1.00 3.51 N ATOM 476 CA ALA A 30 -8.295 -11.468 1.949 1.00 33.43 C ATOM 477 C ALA A 30 -9.625 -12.179 1.649 1.00 74.43 C ATOM 478 O ALA A 30 -10.425 -12.436 2.550 1.00 3.12 O ATOM 479 CB ALA A 30 -8.520 -9.973 2.138 1.00 40.51 C ATOM 0 H ALA A 30 -7.225 -10.929 0.218 1.00 3.51 H new ATOM 0 HA ALA A 30 -7.895 -11.885 2.873 1.00 33.43 H new ATOM 0 HB1 ALA A 30 -9.248 -9.812 2.933 1.00 40.51 H new ATOM 0 HB2 ALA A 30 -7.578 -9.494 2.407 1.00 40.51 H new ATOM 0 HB3 ALA A 30 -8.895 -9.541 1.210 1.00 40.51 H new ATOM 485 N GLY A 31 -9.852 -12.493 0.372 1.00 11.51 N ATOM 486 CA GLY A 31 -11.060 -13.207 -0.033 1.00 64.52 C ATOM 487 C GLY A 31 -12.113 -12.311 -0.679 1.00 54.51 C ATOM 488 O GLY A 31 -13.279 -12.699 -0.802 1.00 42.23 O ATOM 0 H GLY A 31 -9.218 -12.265 -0.394 1.00 11.51 H new ATOM 0 HA2 GLY A 31 -10.788 -13.996 -0.734 1.00 64.52 H new ATOM 0 HA3 GLY A 31 -11.495 -13.693 0.841 1.00 64.52 H new ATOM 492 N TYR A 32 -11.707 -11.117 -1.105 1.00 64.53 N ATOM 493 CA TYR A 32 -12.634 -10.144 -1.698 1.00 75.02 C ATOM 494 C TYR A 32 -12.146 -9.648 -3.074 1.00 43.32 C ATOM 495 O TYR A 32 -11.425 -8.654 -3.165 1.00 40.41 O ATOM 496 CB TYR A 32 -12.812 -8.947 -0.751 1.00 5.35 C ATOM 497 CG TYR A 32 -13.280 -9.325 0.641 1.00 23.14 C ATOM 498 CD1 TYR A 32 -12.366 -9.648 1.636 1.00 3.30 C ATOM 499 CD2 TYR A 32 -14.635 -9.353 0.962 1.00 32.04 C ATOM 500 CE1 TYR A 32 -12.782 -9.987 2.905 1.00 23.24 C ATOM 501 CE2 TYR A 32 -15.059 -9.688 2.232 1.00 44.43 C ATOM 502 CZ TYR A 32 -14.129 -10.004 3.200 1.00 32.24 C ATOM 503 OH TYR A 32 -14.547 -10.337 4.470 1.00 11.32 O ATOM 0 H TYR A 32 -10.740 -10.795 -1.052 1.00 64.53 H new ATOM 0 HA TYR A 32 -13.590 -10.647 -1.845 1.00 75.02 H new ATOM 0 HB2 TYR A 32 -11.864 -8.415 -0.672 1.00 5.35 H new ATOM 0 HB3 TYR A 32 -13.531 -8.254 -1.189 1.00 5.35 H new ATOM 0 HD1 TYR A 32 -11.310 -9.633 1.411 1.00 3.30 H new ATOM 0 HD2 TYR A 32 -15.366 -9.109 0.205 1.00 32.04 H new ATOM 0 HE1 TYR A 32 -12.057 -10.238 3.665 1.00 23.24 H new ATOM 0 HE2 TYR A 32 -16.113 -9.703 2.466 1.00 44.43 H new ATOM 0 HH TYR A 32 -15.525 -10.300 4.512 1.00 11.32 H new ATOM 513 N PRO A 33 -12.526 -10.339 -4.170 1.00 52.12 N ATOM 514 CA PRO A 33 -12.153 -9.924 -5.536 1.00 74.10 C ATOM 515 C PRO A 33 -12.900 -8.655 -5.989 1.00 25.13 C ATOM 516 O PRO A 33 -14.074 -8.466 -5.672 1.00 5.23 O ATOM 517 CB PRO A 33 -12.555 -11.134 -6.393 1.00 14.14 C ATOM 518 CG PRO A 33 -13.657 -11.791 -5.628 1.00 32.24 C ATOM 519 CD PRO A 33 -13.339 -11.574 -4.170 1.00 73.15 C ATOM 0 HA PRO A 33 -11.097 -9.665 -5.614 1.00 74.10 H new ATOM 0 HB2 PRO A 33 -12.890 -10.824 -7.383 1.00 14.14 H new ATOM 0 HB3 PRO A 33 -11.715 -11.813 -6.539 1.00 14.14 H new ATOM 0 HG2 PRO A 33 -14.623 -11.357 -5.885 1.00 32.24 H new ATOM 0 HG3 PRO A 33 -13.713 -12.854 -5.861 1.00 32.24 H new ATOM 0 HD2 PRO A 33 -14.245 -11.457 -3.575 1.00 73.15 H new ATOM 0 HD3 PRO A 33 -12.789 -12.416 -3.750 1.00 73.15 H new ATOM 527 N GLY A 34 -12.211 -7.776 -6.715 1.00 60.33 N ATOM 528 CA GLY A 34 -12.831 -6.538 -7.187 1.00 34.12 C ATOM 529 C GLY A 34 -12.864 -5.427 -6.133 1.00 73.02 C ATOM 530 O GLY A 34 -12.665 -4.254 -6.453 1.00 55.02 O ATOM 0 H GLY A 34 -11.235 -7.895 -6.987 1.00 60.33 H new ATOM 0 HA2 GLY A 34 -12.288 -6.181 -8.062 1.00 34.12 H new ATOM 0 HA3 GLY A 34 -13.850 -6.752 -7.509 1.00 34.12 H new ATOM 534 N TYR A 35 -13.088 -5.795 -4.868 1.00 64.04 N ATOM 535 CA TYR A 35 -13.180 -4.821 -3.765 1.00 13.42 C ATOM 536 C TYR A 35 -11.859 -4.058 -3.531 1.00 44.23 C ATOM 537 O TYR A 35 -11.797 -3.167 -2.682 1.00 1.04 O ATOM 538 CB TYR A 35 -13.597 -5.526 -2.464 1.00 62.14 C ATOM 539 CG TYR A 35 -14.975 -6.166 -2.508 1.00 64.53 C ATOM 540 CD1 TYR A 35 -15.148 -7.464 -2.975 1.00 23.14 C ATOM 541 CD2 TYR A 35 -16.100 -5.477 -2.065 1.00 14.44 C ATOM 542 CE1 TYR A 35 -16.396 -8.057 -2.999 1.00 3.44 C ATOM 543 CE2 TYR A 35 -17.353 -6.063 -2.090 1.00 1.45 C ATOM 544 CZ TYR A 35 -17.495 -7.354 -2.556 1.00 62.23 C ATOM 545 OH TYR A 35 -18.740 -7.948 -2.571 1.00 74.34 O ATOM 0 H TYR A 35 -13.210 -6.765 -4.577 1.00 64.04 H new ATOM 0 HA TYR A 35 -13.936 -4.091 -4.057 1.00 13.42 H new ATOM 0 HB2 TYR A 35 -12.861 -6.295 -2.230 1.00 62.14 H new ATOM 0 HB3 TYR A 35 -13.572 -4.802 -1.649 1.00 62.14 H new ATOM 0 HD1 TYR A 35 -14.291 -8.019 -3.326 1.00 23.14 H new ATOM 0 HD2 TYR A 35 -15.993 -4.468 -1.695 1.00 14.44 H new ATOM 0 HE1 TYR A 35 -16.509 -9.067 -3.363 1.00 3.44 H new ATOM 0 HE2 TYR A 35 -18.216 -5.512 -1.746 1.00 1.45 H new ATOM 0 HH TYR A 35 -19.407 -7.319 -2.225 1.00 74.34 H new ATOM 555 N ALA A 36 -10.815 -4.402 -4.288 1.00 23.10 N ATOM 556 CA ALA A 36 -9.500 -3.757 -4.165 1.00 1.14 C ATOM 557 C ALA A 36 -9.592 -2.217 -4.144 1.00 34.25 C ATOM 558 O ALA A 36 -8.914 -1.555 -3.356 1.00 14.51 O ATOM 559 CB ALA A 36 -8.597 -4.218 -5.300 1.00 30.42 C ATOM 0 H ALA A 36 -10.853 -5.131 -5.000 1.00 23.10 H new ATOM 0 HA ALA A 36 -9.076 -4.058 -3.207 1.00 1.14 H new ATOM 0 HB1 ALA A 36 -7.622 -3.739 -5.207 1.00 30.42 H new ATOM 0 HB2 ALA A 36 -8.475 -5.300 -5.252 1.00 30.42 H new ATOM 0 HB3 ALA A 36 -9.046 -3.946 -6.255 1.00 30.42 H new ATOM 565 N ARG A 37 -10.435 -1.658 -5.012 1.00 22.10 N ATOM 566 CA ARG A 37 -10.667 -0.207 -5.050 1.00 72.15 C ATOM 567 C ARG A 37 -11.197 0.335 -3.706 1.00 1.52 C ATOM 568 O ARG A 37 -10.844 1.441 -3.292 1.00 32.43 O ATOM 569 CB ARG A 37 -11.633 0.146 -6.190 1.00 13.31 C ATOM 570 CG ARG A 37 -12.958 -0.616 -6.150 1.00 22.24 C ATOM 571 CD ARG A 37 -13.859 -0.247 -7.324 1.00 54.14 C ATOM 572 NE ARG A 37 -13.211 -0.497 -8.611 1.00 61.50 N ATOM 573 CZ ARG A 37 -13.688 -0.112 -9.763 1.00 45.13 C ATOM 574 NH1 ARG A 37 -14.847 0.456 -9.844 1.00 21.44 N ATOM 575 NH2 ARG A 37 -13.009 -0.324 -10.838 1.00 2.45 N ATOM 0 H ARG A 37 -10.971 -2.186 -5.701 1.00 22.10 H new ATOM 0 HA ARG A 37 -9.705 0.272 -5.232 1.00 72.15 H new ATOM 0 HB2 ARG A 37 -11.841 1.215 -6.156 1.00 13.31 H new ATOM 0 HB3 ARG A 37 -11.141 -0.053 -7.142 1.00 13.31 H new ATOM 0 HG2 ARG A 37 -12.761 -1.688 -6.166 1.00 22.24 H new ATOM 0 HG3 ARG A 37 -13.473 -0.400 -5.214 1.00 22.24 H new ATOM 0 HD2 ARG A 37 -14.784 -0.821 -7.266 1.00 54.14 H new ATOM 0 HD3 ARG A 37 -14.133 0.806 -7.254 1.00 54.14 H new ATOM 0 HE ARG A 37 -12.327 -1.006 -8.608 1.00 61.50 H new ATOM 0 HH11 ARG A 37 -15.400 0.608 -9.001 1.00 21.44 H new ATOM 0 HH12 ARG A 37 -15.208 0.752 -10.751 1.00 21.44 H new ATOM 0 HH21 ARG A 37 -12.104 -0.791 -10.786 1.00 2.45 H new ATOM 0 HH22 ARG A 37 -13.377 -0.025 -11.741 1.00 2.45 H new ATOM 589 N HIS A 38 -12.033 -0.448 -3.025 1.00 44.05 N ATOM 590 CA HIS A 38 -12.556 -0.055 -1.711 1.00 54.34 C ATOM 591 C HIS A 38 -11.464 -0.154 -0.640 1.00 52.04 C ATOM 592 O HIS A 38 -11.434 0.636 0.305 1.00 43.43 O ATOM 593 CB HIS A 38 -13.758 -0.921 -1.319 1.00 73.43 C ATOM 594 CG HIS A 38 -14.935 -0.758 -2.230 1.00 74.41 C ATOM 595 ND1 HIS A 38 -15.896 0.197 -1.999 1.00 23.41 N ATOM 596 CD2 HIS A 38 -15.261 -1.449 -3.347 1.00 43.11 C ATOM 597 CE1 HIS A 38 -16.779 0.064 -2.973 1.00 13.55 C ATOM 598 NE2 HIS A 38 -16.436 -0.921 -3.814 1.00 24.45 N ATOM 0 H HIS A 38 -12.363 -1.354 -3.357 1.00 44.05 H new ATOM 0 HA HIS A 38 -12.885 0.982 -1.780 1.00 54.34 H new ATOM 0 HB2 HIS A 38 -13.455 -1.968 -1.314 1.00 73.43 H new ATOM 0 HB3 HIS A 38 -14.059 -0.671 -0.302 1.00 73.43 H new ATOM 0 HD2 HIS A 38 -14.702 -2.262 -3.787 1.00 43.11 H new ATOM 0 HE1 HIS A 38 -17.665 0.672 -3.078 1.00 13.55 H new ATOM 0 HE2 HIS A 38 -16.950 -1.220 -4.642 1.00 24.45 H new ATOM 606 N VAL A 39 -10.568 -1.129 -0.801 1.00 72.24 N ATOM 607 CA VAL A 39 -9.405 -1.264 0.083 1.00 23.31 C ATOM 608 C VAL A 39 -8.556 0.017 0.058 1.00 63.31 C ATOM 609 O VAL A 39 -8.155 0.533 1.104 1.00 53.31 O ATOM 610 CB VAL A 39 -8.515 -2.470 -0.318 1.00 21.44 C ATOM 611 CG1 VAL A 39 -7.329 -2.619 0.639 1.00 13.55 C ATOM 612 CG2 VAL A 39 -9.336 -3.757 -0.369 1.00 73.44 C ATOM 0 H VAL A 39 -10.623 -1.837 -1.534 1.00 72.24 H new ATOM 0 HA VAL A 39 -9.787 -1.434 1.089 1.00 23.31 H new ATOM 0 HB VAL A 39 -8.120 -2.279 -1.316 1.00 21.44 H new ATOM 0 HG11 VAL A 39 -6.721 -3.472 0.335 1.00 13.55 H new ATOM 0 HG12 VAL A 39 -6.723 -1.713 0.611 1.00 13.55 H new ATOM 0 HG13 VAL A 39 -7.697 -2.778 1.653 1.00 13.55 H new ATOM 0 HG21 VAL A 39 -8.691 -4.589 -0.652 1.00 73.44 H new ATOM 0 HG22 VAL A 39 -9.769 -3.951 0.612 1.00 73.44 H new ATOM 0 HG23 VAL A 39 -10.134 -3.650 -1.103 1.00 73.44 H new ATOM 622 N GLY A 40 -8.303 0.531 -1.146 1.00 14.13 N ATOM 623 CA GLY A 40 -7.571 1.787 -1.293 1.00 41.15 C ATOM 624 C GLY A 40 -8.266 2.963 -0.620 1.00 64.43 C ATOM 625 O GLY A 40 -7.636 3.750 0.088 1.00 42.10 O ATOM 0 H GLY A 40 -8.591 0.101 -2.025 1.00 14.13 H new ATOM 0 HA2 GLY A 40 -6.573 1.671 -0.870 1.00 41.15 H new ATOM 0 HA3 GLY A 40 -7.444 2.005 -2.353 1.00 41.15 H new ATOM 629 N LYS A 41 -9.574 3.072 -0.830 1.00 11.44 N ATOM 630 CA LYS A 41 -10.372 4.131 -0.203 1.00 64.21 C ATOM 631 C LYS A 41 -10.402 3.975 1.328 1.00 3.13 C ATOM 632 O LYS A 41 -10.531 4.960 2.062 1.00 43.43 O ATOM 633 CB LYS A 41 -11.791 4.116 -0.783 1.00 61.12 C ATOM 634 CG LYS A 41 -11.819 4.358 -2.290 1.00 62.23 C ATOM 635 CD LYS A 41 -13.219 4.216 -2.882 1.00 53.54 C ATOM 636 CE LYS A 41 -14.210 5.203 -2.277 1.00 33.25 C ATOM 637 NZ LYS A 41 -15.506 5.185 -3.006 1.00 0.31 N ATOM 0 H LYS A 41 -10.108 2.442 -1.429 1.00 11.44 H new ATOM 0 HA LYS A 41 -9.909 5.093 -0.421 1.00 64.21 H new ATOM 0 HB2 LYS A 41 -12.257 3.155 -0.566 1.00 61.12 H new ATOM 0 HB3 LYS A 41 -12.389 4.880 -0.286 1.00 61.12 H new ATOM 0 HG2 LYS A 41 -11.439 5.358 -2.501 1.00 62.23 H new ATOM 0 HG3 LYS A 41 -11.148 3.652 -2.780 1.00 62.23 H new ATOM 0 HD2 LYS A 41 -13.171 4.368 -3.960 1.00 53.54 H new ATOM 0 HD3 LYS A 41 -13.578 3.200 -2.719 1.00 53.54 H new ATOM 0 HE2 LYS A 41 -14.377 4.957 -1.228 1.00 33.25 H new ATOM 0 HE3 LYS A 41 -13.789 6.208 -2.305 1.00 33.25 H new ATOM 0 HZ1 LYS A 41 -16.159 5.867 -2.570 1.00 0.31 H new ATOM 0 HZ2 LYS A 41 -15.348 5.444 -4.001 1.00 0.31 H new ATOM 0 HZ3 LYS A 41 -15.918 4.232 -2.957 1.00 0.31 H new ATOM 651 N ALA A 42 -10.274 2.735 1.800 1.00 21.22 N ATOM 652 CA ALA A 42 -10.177 2.456 3.237 1.00 71.22 C ATOM 653 C ALA A 42 -8.818 2.906 3.797 1.00 13.40 C ATOM 654 O ALA A 42 -8.751 3.592 4.817 1.00 44.41 O ATOM 655 CB ALA A 42 -10.394 0.967 3.500 1.00 45.40 C ATOM 0 H ALA A 42 -10.235 1.905 1.209 1.00 21.22 H new ATOM 0 HA ALA A 42 -10.956 3.023 3.747 1.00 71.22 H new ATOM 0 HB1 ALA A 42 -10.320 0.772 4.570 1.00 45.40 H new ATOM 0 HB2 ALA A 42 -11.383 0.675 3.146 1.00 45.40 H new ATOM 0 HB3 ALA A 42 -9.635 0.390 2.972 1.00 45.40 H new ATOM 661 N LEU A 43 -7.735 2.525 3.116 1.00 45.32 N ATOM 662 CA LEU A 43 -6.381 2.912 3.534 1.00 31.10 C ATOM 663 C LEU A 43 -6.187 4.433 3.457 1.00 53.21 C ATOM 664 O LEU A 43 -5.575 5.037 4.338 1.00 44.50 O ATOM 665 CB LEU A 43 -5.323 2.203 2.673 1.00 42.52 C ATOM 666 CG LEU A 43 -5.312 0.667 2.766 1.00 54.32 C ATOM 667 CD1 LEU A 43 -4.102 0.093 2.034 1.00 34.32 C ATOM 668 CD2 LEU A 43 -5.323 0.205 4.223 1.00 11.33 C ATOM 0 H LEU A 43 -7.766 1.950 2.274 1.00 45.32 H new ATOM 0 HA LEU A 43 -6.257 2.603 4.572 1.00 31.10 H new ATOM 0 HB2 LEU A 43 -5.479 2.485 1.632 1.00 42.52 H new ATOM 0 HB3 LEU A 43 -4.339 2.574 2.960 1.00 42.52 H new ATOM 0 HG LEU A 43 -6.217 0.295 2.286 1.00 54.32 H new ATOM 0 HD11 LEU A 43 -4.112 -0.994 2.111 1.00 34.32 H new ATOM 0 HD12 LEU A 43 -4.141 0.383 0.984 1.00 34.32 H new ATOM 0 HD13 LEU A 43 -3.188 0.480 2.483 1.00 34.32 H new ATOM 0 HD21 LEU A 43 -5.315 -0.884 4.259 1.00 11.33 H new ATOM 0 HD22 LEU A 43 -4.441 0.592 4.734 1.00 11.33 H new ATOM 0 HD23 LEU A 43 -6.221 0.578 4.716 1.00 11.33 H new ATOM 680 N GLY A 44 -6.727 5.048 2.408 1.00 5.52 N ATOM 681 CA GLY A 44 -6.664 6.497 2.269 1.00 13.10 C ATOM 682 C GLY A 44 -7.443 7.233 3.356 1.00 22.11 C ATOM 683 O GLY A 44 -7.298 8.444 3.527 1.00 55.14 O ATOM 0 H GLY A 44 -7.209 4.568 1.648 1.00 5.52 H new ATOM 0 HA2 GLY A 44 -5.622 6.815 2.298 1.00 13.10 H new ATOM 0 HA3 GLY A 44 -7.057 6.781 1.293 1.00 13.10 H new ATOM 687 N ASN A 45 -8.284 6.501 4.084 1.00 42.33 N ATOM 688 CA ASN A 45 -9.061 7.070 5.187 1.00 72.01 C ATOM 689 C ASN A 45 -8.256 7.041 6.501 1.00 72.54 C ATOM 690 O ASN A 45 -8.588 7.734 7.463 1.00 3.41 O ATOM 691 CB ASN A 45 -10.372 6.288 5.349 1.00 10.13 C ATOM 692 CG ASN A 45 -11.342 6.953 6.309 1.00 43.05 C ATOM 693 OD1 ASN A 45 -11.380 8.170 6.428 1.00 62.15 O ATOM 694 ND2 ASN A 45 -12.132 6.160 7.002 1.00 71.41 N ATOM 0 H ASN A 45 -8.446 5.506 3.929 1.00 42.33 H new ATOM 0 HA ASN A 45 -9.287 8.111 4.955 1.00 72.01 H new ATOM 0 HB2 ASN A 45 -10.849 6.182 4.374 1.00 10.13 H new ATOM 0 HB3 ASN A 45 -10.148 5.283 5.705 1.00 10.13 H new ATOM 0 HD21 ASN A 45 -12.801 6.557 7.662 1.00 71.41 H new ATOM 0 HD22 ASN A 45 -12.075 5.149 6.879 1.00 71.41 H new ATOM 701 N LEU A 46 -7.193 6.240 6.525 1.00 41.32 N ATOM 702 CA LEU A 46 -6.355 6.087 7.718 1.00 22.41 C ATOM 703 C LEU A 46 -5.398 7.279 7.905 1.00 51.12 C ATOM 704 O LEU A 46 -4.964 7.898 6.932 1.00 13.12 O ATOM 705 CB LEU A 46 -5.547 4.783 7.629 1.00 43.12 C ATOM 706 CG LEU A 46 -6.375 3.486 7.682 1.00 45.32 C ATOM 707 CD1 LEU A 46 -5.488 2.262 7.458 1.00 52.13 C ATOM 708 CD2 LEU A 46 -7.110 3.380 9.019 1.00 63.22 C ATOM 0 H LEU A 46 -6.888 5.682 5.727 1.00 41.32 H new ATOM 0 HA LEU A 46 -7.018 6.053 8.582 1.00 22.41 H new ATOM 0 HB2 LEU A 46 -4.977 4.792 6.700 1.00 43.12 H new ATOM 0 HB3 LEU A 46 -4.825 4.767 8.446 1.00 43.12 H new ATOM 0 HG LEU A 46 -7.113 3.518 6.880 1.00 45.32 H new ATOM 0 HD11 LEU A 46 -6.097 1.359 7.500 1.00 52.13 H new ATOM 0 HD12 LEU A 46 -5.011 2.333 6.481 1.00 52.13 H new ATOM 0 HD13 LEU A 46 -4.723 2.220 8.233 1.00 52.13 H new ATOM 0 HD21 LEU A 46 -7.691 2.458 9.043 1.00 63.22 H new ATOM 0 HD22 LEU A 46 -6.385 3.373 9.833 1.00 63.22 H new ATOM 0 HD23 LEU A 46 -7.778 4.233 9.136 1.00 63.22 H new ATOM 720 N PRO A 47 -5.058 7.616 9.166 1.00 50.33 N ATOM 721 CA PRO A 47 -4.100 8.693 9.467 1.00 12.22 C ATOM 722 C PRO A 47 -2.639 8.267 9.245 1.00 42.33 C ATOM 723 O PRO A 47 -2.330 7.078 9.133 1.00 41.03 O ATOM 724 CB PRO A 47 -4.358 8.967 10.952 1.00 60.22 C ATOM 725 CG PRO A 47 -4.792 7.649 11.499 1.00 55.42 C ATOM 726 CD PRO A 47 -5.585 6.988 10.397 1.00 23.01 C ATOM 0 HA PRO A 47 -4.237 9.559 8.819 1.00 12.22 H new ATOM 0 HB2 PRO A 47 -3.460 9.329 11.452 1.00 60.22 H new ATOM 0 HB3 PRO A 47 -5.127 9.727 11.089 1.00 60.22 H new ATOM 0 HG2 PRO A 47 -3.933 7.041 11.782 1.00 55.42 H new ATOM 0 HG3 PRO A 47 -5.400 7.778 12.395 1.00 55.42 H new ATOM 0 HD2 PRO A 47 -5.439 5.908 10.390 1.00 23.01 H new ATOM 0 HD3 PRO A 47 -6.655 7.165 10.511 1.00 23.01 H new ATOM 734 N GLU A 48 -1.734 9.240 9.210 1.00 11.03 N ATOM 735 CA GLU A 48 -0.306 8.958 9.014 1.00 62.33 C ATOM 736 C GLU A 48 0.399 8.592 10.337 1.00 64.45 C ATOM 737 O GLU A 48 1.614 8.744 10.468 1.00 35.51 O ATOM 738 CB GLU A 48 0.379 10.159 8.342 1.00 34.35 C ATOM 739 CG GLU A 48 0.204 11.485 9.078 1.00 35.24 C ATOM 740 CD GLU A 48 0.748 12.665 8.285 1.00 64.42 C ATOM 741 OE1 GLU A 48 1.980 12.869 8.280 1.00 24.45 O ATOM 742 OE2 GLU A 48 -0.049 13.383 7.646 1.00 24.31 O ATOM 0 H GLU A 48 -1.958 10.230 9.314 1.00 11.03 H new ATOM 0 HA GLU A 48 -0.224 8.089 8.361 1.00 62.33 H new ATOM 0 HB2 GLU A 48 1.444 9.948 8.250 1.00 34.35 H new ATOM 0 HB3 GLU A 48 -0.014 10.265 7.331 1.00 34.35 H new ATOM 0 HG2 GLU A 48 -0.854 11.646 9.284 1.00 35.24 H new ATOM 0 HG3 GLU A 48 0.712 11.433 10.041 1.00 35.24 H new ATOM 749 N GLY A 49 -0.368 8.077 11.300 1.00 50.23 N ATOM 750 CA GLY A 49 0.203 7.657 12.581 1.00 41.43 C ATOM 751 C GLY A 49 -0.430 6.380 13.142 1.00 31.34 C ATOM 752 O GLY A 49 -0.323 6.103 14.339 1.00 21.33 O ATOM 0 H GLY A 49 -1.376 7.942 11.219 1.00 50.23 H new ATOM 0 HA2 GLY A 49 1.274 7.498 12.458 1.00 41.43 H new ATOM 0 HA3 GLY A 49 0.081 8.462 13.306 1.00 41.43 H new ATOM 756 N SER A 50 -1.087 5.599 12.282 1.00 61.15 N ATOM 757 CA SER A 50 -1.726 4.341 12.697 1.00 14.53 C ATOM 758 C SER A 50 -0.708 3.190 12.786 1.00 54.11 C ATOM 759 O SER A 50 0.339 3.224 12.140 1.00 72.55 O ATOM 760 CB SER A 50 -2.841 3.972 11.708 1.00 21.31 C ATOM 761 OG SER A 50 -2.349 3.905 10.379 1.00 43.52 O ATOM 0 H SER A 50 -1.193 5.813 11.290 1.00 61.15 H new ATOM 0 HA SER A 50 -2.149 4.493 13.690 1.00 14.53 H new ATOM 0 HB2 SER A 50 -3.274 3.011 11.987 1.00 21.31 H new ATOM 0 HB3 SER A 50 -3.640 4.711 11.765 1.00 21.31 H new ATOM 0 HG SER A 50 -1.972 3.015 10.214 1.00 43.52 H new ATOM 767 N LYS A 51 -1.020 2.174 13.596 1.00 31.54 N ATOM 768 CA LYS A 51 -0.135 1.008 13.767 1.00 71.14 C ATOM 769 C LYS A 51 -0.097 0.140 12.496 1.00 74.42 C ATOM 770 O LYS A 51 0.827 -0.646 12.285 1.00 62.44 O ATOM 771 CB LYS A 51 -0.604 0.164 14.962 1.00 13.51 C ATOM 772 CG LYS A 51 0.434 -0.837 15.469 1.00 74.05 C ATOM 773 CD LYS A 51 -0.102 -1.672 16.633 1.00 34.30 C ATOM 774 CE LYS A 51 -1.110 -2.723 16.170 1.00 35.41 C ATOM 775 NZ LYS A 51 -0.447 -3.842 15.451 1.00 2.05 N ATOM 0 H LYS A 51 -1.878 2.131 14.146 1.00 31.54 H new ATOM 0 HA LYS A 51 0.874 1.377 13.954 1.00 71.14 H new ATOM 0 HB2 LYS A 51 -0.877 0.832 15.779 1.00 13.51 H new ATOM 0 HB3 LYS A 51 -1.506 -0.378 14.678 1.00 13.51 H new ATOM 0 HG2 LYS A 51 0.730 -1.498 14.654 1.00 74.05 H new ATOM 0 HG3 LYS A 51 1.329 -0.302 15.787 1.00 74.05 H new ATOM 0 HD2 LYS A 51 0.729 -2.165 17.138 1.00 34.30 H new ATOM 0 HD3 LYS A 51 -0.574 -1.015 17.363 1.00 34.30 H new ATOM 0 HE2 LYS A 51 -1.650 -3.114 17.032 1.00 35.41 H new ATOM 0 HE3 LYS A 51 -1.847 -2.257 15.517 1.00 35.41 H new ATOM 0 HZ1 LYS A 51 -1.135 -4.605 15.287 1.00 2.05 H new ATOM 0 HZ2 LYS A 51 -0.083 -3.501 14.538 1.00 2.05 H new ATOM 0 HZ3 LYS A 51 0.341 -4.204 16.024 1.00 2.05 H new ATOM 789 N LEU A 52 -1.126 0.280 11.667 1.00 54.33 N ATOM 790 CA LEU A 52 -1.217 -0.445 10.395 1.00 24.02 C ATOM 791 C LEU A 52 -0.517 0.323 9.260 1.00 31.42 C ATOM 792 O LEU A 52 -0.942 1.424 8.895 1.00 14.45 O ATOM 793 CB LEU A 52 -2.693 -0.666 10.031 1.00 24.54 C ATOM 794 CG LEU A 52 -2.952 -1.250 8.629 1.00 33.14 C ATOM 795 CD1 LEU A 52 -2.419 -2.674 8.517 1.00 74.31 C ATOM 796 CD2 LEU A 52 -4.437 -1.199 8.293 1.00 64.14 C ATOM 0 H LEU A 52 -1.919 0.895 11.852 1.00 54.33 H new ATOM 0 HA LEU A 52 -0.715 -1.405 10.516 1.00 24.02 H new ATOM 0 HB2 LEU A 52 -3.135 -1.334 10.771 1.00 24.54 H new ATOM 0 HB3 LEU A 52 -3.215 0.288 10.110 1.00 24.54 H new ATOM 0 HG LEU A 52 -2.415 -0.637 7.905 1.00 33.14 H new ATOM 0 HD11 LEU A 52 -2.617 -3.059 7.517 1.00 74.31 H new ATOM 0 HD12 LEU A 52 -1.345 -2.676 8.701 1.00 74.31 H new ATOM 0 HD13 LEU A 52 -2.914 -3.307 9.254 1.00 74.31 H new ATOM 0 HD21 LEU A 52 -4.600 -1.616 7.299 1.00 64.14 H new ATOM 0 HD22 LEU A 52 -4.996 -1.780 9.026 1.00 64.14 H new ATOM 0 HD23 LEU A 52 -4.779 -0.164 8.313 1.00 64.14 H new ATOM 808 N PRO A 53 0.557 -0.239 8.669 1.00 64.34 N ATOM 809 CA PRO A 53 1.241 0.413 7.548 1.00 10.50 C ATOM 810 C PRO A 53 0.435 0.309 6.241 1.00 20.14 C ATOM 811 O PRO A 53 0.529 -0.675 5.505 1.00 34.55 O ATOM 812 CB PRO A 53 2.564 -0.360 7.449 1.00 53.44 C ATOM 813 CG PRO A 53 2.249 -1.720 7.984 1.00 61.44 C ATOM 814 CD PRO A 53 1.184 -1.526 9.039 1.00 23.15 C ATOM 0 HA PRO A 53 1.376 1.483 7.705 1.00 10.50 H new ATOM 0 HB2 PRO A 53 2.917 -0.411 6.419 1.00 53.44 H new ATOM 0 HB3 PRO A 53 3.349 0.123 8.031 1.00 53.44 H new ATOM 0 HG2 PRO A 53 1.894 -2.377 7.190 1.00 61.44 H new ATOM 0 HG3 PRO A 53 3.138 -2.185 8.410 1.00 61.44 H new ATOM 0 HD2 PRO A 53 0.460 -2.341 9.032 1.00 23.15 H new ATOM 0 HD3 PRO A 53 1.614 -1.489 10.040 1.00 23.15 H new ATOM 822 N TRP A 54 -0.347 1.346 5.951 1.00 53.22 N ATOM 823 CA TRP A 54 -1.184 1.377 4.745 1.00 62.54 C ATOM 824 C TRP A 54 -0.393 1.848 3.519 1.00 74.33 C ATOM 825 O TRP A 54 -0.704 1.481 2.386 1.00 34.02 O ATOM 826 CB TRP A 54 -2.409 2.278 4.973 1.00 44.30 C ATOM 827 CG TRP A 54 -2.077 3.660 5.474 1.00 52.53 C ATOM 828 CD1 TRP A 54 -1.994 4.063 6.778 1.00 42.33 C ATOM 829 CD2 TRP A 54 -1.797 4.818 4.679 1.00 74.54 C ATOM 830 NE1 TRP A 54 -1.673 5.396 6.840 1.00 21.45 N ATOM 831 CE2 TRP A 54 -1.544 5.883 5.567 1.00 42.04 C ATOM 832 CE3 TRP A 54 -1.726 5.057 3.303 1.00 20.33 C ATOM 833 CZ2 TRP A 54 -1.232 7.163 5.122 1.00 53.01 C ATOM 834 CZ3 TRP A 54 -1.417 6.330 2.863 1.00 12.12 C ATOM 835 CH2 TRP A 54 -1.169 7.368 3.770 1.00 14.21 C ATOM 0 H TRP A 54 -0.421 2.180 6.534 1.00 53.22 H new ATOM 0 HA TRP A 54 -1.521 0.360 4.547 1.00 62.54 H new ATOM 0 HB2 TRP A 54 -2.960 2.366 4.037 1.00 44.30 H new ATOM 0 HB3 TRP A 54 -3.073 1.794 5.689 1.00 44.30 H new ATOM 0 HD1 TRP A 54 -2.157 3.425 7.634 1.00 42.33 H new ATOM 0 HE1 TRP A 54 -1.550 5.937 7.696 1.00 21.45 H new ATOM 0 HE3 TRP A 54 -1.909 4.261 2.597 1.00 20.33 H new ATOM 0 HZ2 TRP A 54 -1.046 7.967 5.819 1.00 53.01 H new ATOM 0 HZ3 TRP A 54 -1.366 6.528 1.802 1.00 12.12 H new ATOM 0 HH2 TRP A 54 -0.923 8.350 3.395 1.00 14.21 H new ATOM 846 N PHE A 55 0.643 2.640 3.762 1.00 51.23 N ATOM 847 CA PHE A 55 1.475 3.202 2.690 1.00 34.23 C ATOM 848 C PHE A 55 2.201 2.124 1.859 1.00 74.52 C ATOM 849 O PHE A 55 2.736 2.420 0.792 1.00 14.04 O ATOM 850 CB PHE A 55 2.491 4.186 3.287 1.00 65.24 C ATOM 851 CG PHE A 55 3.289 3.624 4.443 1.00 1.44 C ATOM 852 CD1 PHE A 55 4.488 2.959 4.228 1.00 12.34 C ATOM 853 CD2 PHE A 55 2.840 3.773 5.749 1.00 22.11 C ATOM 854 CE1 PHE A 55 5.221 2.456 5.287 1.00 53.41 C ATOM 855 CE2 PHE A 55 3.569 3.271 6.810 1.00 34.14 C ATOM 856 CZ PHE A 55 4.761 2.612 6.579 1.00 24.32 C ATOM 0 H PHE A 55 0.935 2.914 4.700 1.00 51.23 H new ATOM 0 HA PHE A 55 0.806 3.723 2.005 1.00 34.23 H new ATOM 0 HB2 PHE A 55 3.180 4.501 2.503 1.00 65.24 H new ATOM 0 HB3 PHE A 55 1.962 5.078 3.624 1.00 65.24 H new ATOM 0 HD1 PHE A 55 4.854 2.833 3.220 1.00 12.34 H new ATOM 0 HD2 PHE A 55 1.909 4.288 5.937 1.00 22.11 H new ATOM 0 HE1 PHE A 55 6.153 1.941 5.103 1.00 53.41 H new ATOM 0 HE2 PHE A 55 3.207 3.394 7.820 1.00 34.14 H new ATOM 0 HZ PHE A 55 5.332 2.220 7.408 1.00 24.32 H new ATOM 866 N ARG A 56 2.219 0.881 2.344 1.00 64.32 N ATOM 867 CA ARG A 56 2.914 -0.210 1.644 1.00 34.14 C ATOM 868 C ARG A 56 2.038 -0.889 0.578 1.00 64.12 C ATOM 869 O ARG A 56 2.543 -1.651 -0.245 1.00 52.34 O ATOM 870 CB ARG A 56 3.414 -1.258 2.647 1.00 31.44 C ATOM 871 CG ARG A 56 4.511 -0.741 3.566 1.00 32.40 C ATOM 872 CD ARG A 56 5.177 -1.869 4.349 1.00 72.42 C ATOM 873 NE ARG A 56 6.355 -1.404 5.074 1.00 13.01 N ATOM 874 CZ ARG A 56 7.494 -1.119 4.508 1.00 13.23 C ATOM 875 NH1 ARG A 56 7.676 -1.320 3.237 1.00 51.40 N ATOM 876 NH2 ARG A 56 8.467 -0.662 5.222 1.00 72.35 N ATOM 0 H ARG A 56 1.764 0.602 3.213 1.00 64.32 H new ATOM 0 HA ARG A 56 3.761 0.243 1.128 1.00 34.14 H new ATOM 0 HB2 ARG A 56 2.575 -1.600 3.252 1.00 31.44 H new ATOM 0 HB3 ARG A 56 3.787 -2.124 2.100 1.00 31.44 H new ATOM 0 HG2 ARG A 56 5.262 -0.217 2.975 1.00 32.40 H new ATOM 0 HG3 ARG A 56 4.089 -0.016 4.262 1.00 32.40 H new ATOM 0 HD2 ARG A 56 4.462 -2.294 5.053 1.00 72.42 H new ATOM 0 HD3 ARG A 56 5.463 -2.667 3.664 1.00 72.42 H new ATOM 0 HE ARG A 56 6.283 -1.295 6.086 1.00 13.01 H new ATOM 0 HH11 ARG A 56 6.922 -1.706 2.669 1.00 51.40 H new ATOM 0 HH12 ARG A 56 8.573 -1.092 2.808 1.00 51.40 H new ATOM 0 HH21 ARG A 56 8.343 -0.525 6.225 1.00 72.35 H new ATOM 0 HH22 ARG A 56 9.360 -0.438 4.783 1.00 72.35 H new ATOM 890 N VAL A 57 0.736 -0.625 0.595 1.00 41.04 N ATOM 891 CA VAL A 57 -0.172 -1.216 -0.391 1.00 55.51 C ATOM 892 C VAL A 57 -0.543 -0.193 -1.472 1.00 13.15 C ATOM 893 O VAL A 57 -1.402 0.669 -1.263 1.00 54.35 O ATOM 894 CB VAL A 57 -1.464 -1.756 0.269 1.00 34.05 C ATOM 895 CG1 VAL A 57 -2.313 -2.515 -0.749 1.00 55.11 C ATOM 896 CG2 VAL A 57 -1.133 -2.641 1.467 1.00 22.40 C ATOM 0 H VAL A 57 0.285 -0.011 1.273 1.00 41.04 H new ATOM 0 HA VAL A 57 0.357 -2.052 -0.848 1.00 55.51 H new ATOM 0 HB VAL A 57 -2.043 -0.905 0.628 1.00 34.05 H new ATOM 0 HG11 VAL A 57 -3.216 -2.886 -0.265 1.00 55.11 H new ATOM 0 HG12 VAL A 57 -2.587 -1.846 -1.565 1.00 55.11 H new ATOM 0 HG13 VAL A 57 -1.742 -3.355 -1.145 1.00 55.11 H new ATOM 0 HG21 VAL A 57 -2.057 -3.009 1.914 1.00 22.40 H new ATOM 0 HG22 VAL A 57 -0.527 -3.486 1.139 1.00 22.40 H new ATOM 0 HG23 VAL A 57 -0.578 -2.062 2.205 1.00 22.40 H new ATOM 906 N ILE A 58 0.121 -0.285 -2.621 1.00 61.51 N ATOM 907 CA ILE A 58 -0.101 0.649 -3.725 1.00 43.15 C ATOM 908 C ILE A 58 -0.932 0.014 -4.851 1.00 74.15 C ATOM 909 O ILE A 58 -1.491 -1.075 -4.699 1.00 23.12 O ATOM 910 CB ILE A 58 1.241 1.175 -4.300 1.00 55.22 C ATOM 911 CG1 ILE A 58 2.085 0.023 -4.875 1.00 14.00 C ATOM 912 CG2 ILE A 58 2.019 1.932 -3.223 1.00 1.14 C ATOM 913 CD1 ILE A 58 3.352 0.483 -5.568 1.00 63.03 C ATOM 0 H ILE A 58 0.822 -1.001 -2.814 1.00 61.51 H new ATOM 0 HA ILE A 58 -0.662 1.489 -3.314 1.00 43.15 H new ATOM 0 HB ILE A 58 1.018 1.863 -5.115 1.00 55.22 H new ATOM 0 HG12 ILE A 58 2.350 -0.659 -4.068 1.00 14.00 H new ATOM 0 HG13 ILE A 58 1.479 -0.542 -5.583 1.00 14.00 H new ATOM 0 HG21 ILE A 58 2.958 2.295 -3.640 1.00 1.14 H new ATOM 0 HG22 ILE A 58 1.427 2.777 -2.873 1.00 1.14 H new ATOM 0 HG23 ILE A 58 2.228 1.264 -2.387 1.00 1.14 H new ATOM 0 HD11 ILE A 58 3.894 -0.383 -5.947 1.00 63.03 H new ATOM 0 HD12 ILE A 58 3.094 1.142 -6.397 1.00 63.03 H new ATOM 0 HD13 ILE A 58 3.980 1.022 -4.858 1.00 63.03 H new ATOM 925 N ASN A 59 -1.020 0.706 -5.983 1.00 53.32 N ATOM 926 CA ASN A 59 -1.833 0.244 -7.109 1.00 74.21 C ATOM 927 C ASN A 59 -1.032 -0.659 -8.064 1.00 33.41 C ATOM 928 O ASN A 59 0.199 -0.620 -8.097 1.00 12.14 O ATOM 929 CB ASN A 59 -2.419 1.456 -7.856 1.00 74.14 C ATOM 930 CG ASN A 59 -1.358 2.429 -8.360 1.00 73.54 C ATOM 931 OD1 ASN A 59 -0.308 2.032 -8.848 1.00 61.04 O ATOM 932 ND2 ASN A 59 -1.614 3.715 -8.220 1.00 52.45 N ATOM 0 H ASN A 59 -0.539 1.590 -6.147 1.00 53.32 H new ATOM 0 HA ASN A 59 -2.649 -0.362 -6.714 1.00 74.21 H new ATOM 0 HB2 ASN A 59 -3.008 1.102 -8.702 1.00 74.14 H new ATOM 0 HB3 ASN A 59 -3.102 1.987 -7.193 1.00 74.14 H new ATOM 0 HD21 ASN A 59 -0.928 4.407 -8.522 1.00 52.45 H new ATOM 0 HD22 ASN A 59 -2.498 4.017 -7.810 1.00 52.45 H new ATOM 939 N SER A 60 -1.743 -1.468 -8.852 1.00 3.40 N ATOM 940 CA SER A 60 -1.107 -2.373 -9.828 1.00 60.32 C ATOM 941 C SER A 60 -0.395 -1.604 -10.953 1.00 60.31 C ATOM 942 O SER A 60 0.254 -2.200 -11.815 1.00 31.33 O ATOM 943 CB SER A 60 -2.154 -3.313 -10.442 1.00 23.01 C ATOM 944 OG SER A 60 -3.180 -2.582 -11.101 1.00 0.11 O ATOM 0 H SER A 60 -2.762 -1.519 -8.838 1.00 3.40 H new ATOM 0 HA SER A 60 -0.358 -2.951 -9.286 1.00 60.32 H new ATOM 0 HB2 SER A 60 -1.671 -3.986 -11.151 1.00 23.01 H new ATOM 0 HB3 SER A 60 -2.591 -3.934 -9.660 1.00 23.01 H new ATOM 0 HG SER A 60 -3.832 -3.206 -11.484 1.00 0.11 H new ATOM 950 N GLN A 61 -0.517 -0.280 -10.935 1.00 62.32 N ATOM 951 CA GLN A 61 0.084 0.583 -11.955 1.00 12.41 C ATOM 952 C GLN A 61 1.540 0.951 -11.611 1.00 33.13 C ATOM 953 O GLN A 61 2.206 1.655 -12.376 1.00 13.41 O ATOM 954 CB GLN A 61 -0.755 1.862 -12.102 1.00 13.33 C ATOM 955 CG GLN A 61 -2.231 1.598 -12.396 1.00 13.13 C ATOM 956 CD GLN A 61 -3.070 2.865 -12.434 1.00 13.03 C ATOM 957 OE1 GLN A 61 -4.251 2.853 -12.098 1.00 63.43 O ATOM 958 NE2 GLN A 61 -2.480 3.965 -12.854 1.00 14.21 N ATOM 0 H GLN A 61 -1.033 0.227 -10.216 1.00 62.32 H new ATOM 0 HA GLN A 61 0.097 0.033 -12.896 1.00 12.41 H new ATOM 0 HB2 GLN A 61 -0.675 2.446 -11.185 1.00 13.33 H new ATOM 0 HB3 GLN A 61 -0.337 2.470 -12.904 1.00 13.33 H new ATOM 0 HG2 GLN A 61 -2.318 1.084 -13.353 1.00 13.13 H new ATOM 0 HG3 GLN A 61 -2.632 0.927 -11.636 1.00 13.13 H new ATOM 0 HE21 GLN A 61 -1.497 3.944 -13.127 1.00 14.21 H new ATOM 0 HE22 GLN A 61 -3.006 4.837 -12.907 1.00 14.21 H new ATOM 967 N GLY A 62 2.023 0.485 -10.457 1.00 22.54 N ATOM 968 CA GLY A 62 3.386 0.797 -10.026 1.00 35.41 C ATOM 969 C GLY A 62 3.553 2.254 -9.614 1.00 42.31 C ATOM 970 O GLY A 62 4.620 2.847 -9.785 1.00 22.11 O ATOM 0 H GLY A 62 1.497 -0.103 -9.811 1.00 22.54 H new ATOM 0 HA2 GLY A 62 3.654 0.154 -9.188 1.00 35.41 H new ATOM 0 HA3 GLY A 62 4.080 0.571 -10.836 1.00 35.41 H new ATOM 974 N LYS A 63 2.488 2.832 -9.073 1.00 33.21 N ATOM 975 CA LYS A 63 2.488 4.230 -8.634 1.00 5.04 C ATOM 976 C LYS A 63 1.879 4.375 -7.231 1.00 74.01 C ATOM 977 O LYS A 63 1.352 3.416 -6.663 1.00 64.22 O ATOM 978 CB LYS A 63 1.711 5.105 -9.636 1.00 71.44 C ATOM 979 CG LYS A 63 2.409 5.281 -10.982 1.00 13.32 C ATOM 980 CD LYS A 63 1.584 6.143 -11.937 1.00 11.10 C ATOM 981 CE LYS A 63 2.310 6.390 -13.257 1.00 65.20 C ATOM 982 NZ LYS A 63 2.592 5.126 -13.987 1.00 2.11 N ATOM 0 H LYS A 63 1.601 2.351 -8.925 1.00 33.21 H new ATOM 0 HA LYS A 63 3.524 4.566 -8.592 1.00 5.04 H new ATOM 0 HB2 LYS A 63 0.729 4.662 -9.803 1.00 71.44 H new ATOM 0 HB3 LYS A 63 1.547 6.087 -9.193 1.00 71.44 H new ATOM 0 HG2 LYS A 63 3.386 5.740 -10.828 1.00 13.32 H new ATOM 0 HG3 LYS A 63 2.584 4.304 -11.432 1.00 13.32 H new ATOM 0 HD2 LYS A 63 0.630 5.654 -12.134 1.00 11.10 H new ATOM 0 HD3 LYS A 63 1.361 7.098 -11.462 1.00 11.10 H new ATOM 0 HE2 LYS A 63 1.705 7.044 -13.886 1.00 65.20 H new ATOM 0 HE3 LYS A 63 3.247 6.912 -13.062 1.00 65.20 H new ATOM 0 HZ1 LYS A 63 2.961 5.347 -14.934 1.00 2.11 H new ATOM 0 HZ2 LYS A 63 3.297 4.571 -13.461 1.00 2.11 H new ATOM 0 HZ3 LYS A 63 1.715 4.574 -14.078 1.00 2.11 H new ATOM 996 N ILE A 64 1.957 5.582 -6.684 1.00 1.54 N ATOM 997 CA ILE A 64 1.418 5.875 -5.354 1.00 15.12 C ATOM 998 C ILE A 64 -0.119 5.744 -5.311 1.00 74.21 C ATOM 999 O ILE A 64 -0.809 6.021 -6.295 1.00 5.42 O ATOM 1000 CB ILE A 64 1.860 7.290 -4.898 1.00 22.22 C ATOM 1001 CG1 ILE A 64 3.380 7.306 -4.650 1.00 61.44 C ATOM 1002 CG2 ILE A 64 1.109 7.746 -3.650 1.00 31.23 C ATOM 1003 CD1 ILE A 64 3.898 8.617 -4.100 1.00 2.10 C ATOM 0 H ILE A 64 2.392 6.383 -7.143 1.00 1.54 H new ATOM 0 HA ILE A 64 1.822 5.135 -4.663 1.00 15.12 H new ATOM 0 HB ILE A 64 1.616 7.992 -5.695 1.00 22.22 H new ATOM 0 HG12 ILE A 64 3.633 6.506 -3.954 1.00 61.44 H new ATOM 0 HG13 ILE A 64 3.893 7.088 -5.587 1.00 61.44 H new ATOM 0 HG21 ILE A 64 1.449 8.742 -3.364 1.00 31.23 H new ATOM 0 HG22 ILE A 64 0.040 7.773 -3.859 1.00 31.23 H new ATOM 0 HG23 ILE A 64 1.302 7.049 -2.834 1.00 31.23 H new ATOM 0 HD11 ILE A 64 4.976 8.549 -3.952 1.00 2.10 H new ATOM 0 HD12 ILE A 64 3.678 9.419 -4.804 1.00 2.10 H new ATOM 0 HD13 ILE A 64 3.414 8.828 -3.147 1.00 2.10 H new ATOM 1015 N SER A 65 -0.637 5.309 -4.161 1.00 42.51 N ATOM 1016 CA SER A 65 -2.076 5.062 -3.985 1.00 75.21 C ATOM 1017 C SER A 65 -2.882 6.365 -3.969 1.00 13.30 C ATOM 1018 O SER A 65 -3.911 6.487 -4.638 1.00 64.51 O ATOM 1019 CB SER A 65 -2.323 4.315 -2.668 1.00 62.33 C ATOM 1020 OG SER A 65 -1.497 3.167 -2.556 1.00 34.33 O ATOM 0 H SER A 65 -0.079 5.118 -3.329 1.00 42.51 H new ATOM 0 HA SER A 65 -2.406 4.461 -4.832 1.00 75.21 H new ATOM 0 HB2 SER A 65 -2.133 4.984 -1.829 1.00 62.33 H new ATOM 0 HB3 SER A 65 -3.370 4.018 -2.608 1.00 62.33 H new ATOM 0 HG SER A 65 -1.994 2.449 -2.111 1.00 34.33 H new ATOM 1026 N LEU A 66 -2.415 7.332 -3.184 1.00 33.41 N ATOM 1027 CA LEU A 66 -3.126 8.603 -3.002 1.00 40.14 C ATOM 1028 C LEU A 66 -2.472 9.742 -3.800 1.00 14.05 C ATOM 1029 O LEU A 66 -1.295 9.675 -4.152 1.00 12.31 O ATOM 1030 CB LEU A 66 -3.164 8.960 -1.512 1.00 54.35 C ATOM 1031 CG LEU A 66 -3.832 7.912 -0.605 1.00 42.22 C ATOM 1032 CD1 LEU A 66 -3.751 8.333 0.861 1.00 24.13 C ATOM 1033 CD2 LEU A 66 -5.287 7.680 -1.022 1.00 14.15 C ATOM 0 H LEU A 66 -1.543 7.263 -2.659 1.00 33.41 H new ATOM 0 HA LEU A 66 -4.141 8.479 -3.379 1.00 40.14 H new ATOM 0 HB2 LEU A 66 -2.142 9.118 -1.166 1.00 54.35 H new ATOM 0 HB3 LEU A 66 -3.690 9.907 -1.395 1.00 54.35 H new ATOM 0 HG LEU A 66 -3.292 6.972 -0.719 1.00 42.22 H new ATOM 0 HD11 LEU A 66 -4.230 7.577 1.484 1.00 24.13 H new ATOM 0 HD12 LEU A 66 -2.706 8.435 1.153 1.00 24.13 H new ATOM 0 HD13 LEU A 66 -4.260 9.288 0.994 1.00 24.13 H new ATOM 0 HD21 LEU A 66 -5.739 6.935 -0.367 1.00 14.15 H new ATOM 0 HD22 LEU A 66 -5.841 8.615 -0.945 1.00 14.15 H new ATOM 0 HD23 LEU A 66 -5.318 7.324 -2.052 1.00 14.15 H new ATOM 1045 N LYS A 67 -3.243 10.792 -4.078 1.00 2.02 N ATOM 1046 CA LYS A 67 -2.750 11.939 -4.855 1.00 42.23 C ATOM 1047 C LYS A 67 -2.835 13.248 -4.045 1.00 24.44 C ATOM 1048 O LYS A 67 -3.525 13.321 -3.027 1.00 62.10 O ATOM 1049 CB LYS A 67 -3.542 12.062 -6.168 1.00 52.22 C ATOM 1050 CG LYS A 67 -3.512 10.788 -7.016 1.00 63.00 C ATOM 1051 CD LYS A 67 -4.287 10.938 -8.326 1.00 71.23 C ATOM 1052 CE LYS A 67 -3.637 11.946 -9.269 1.00 61.24 C ATOM 1053 NZ LYS A 67 -4.364 12.042 -10.563 1.00 13.32 N ATOM 0 H LYS A 67 -4.214 10.877 -3.778 1.00 2.02 H new ATOM 0 HA LYS A 67 -1.699 11.766 -5.087 1.00 42.23 H new ATOM 0 HB2 LYS A 67 -4.578 12.312 -5.937 1.00 52.22 H new ATOM 0 HB3 LYS A 67 -3.137 12.888 -6.752 1.00 52.22 H new ATOM 0 HG2 LYS A 67 -2.477 10.527 -7.238 1.00 63.00 H new ATOM 0 HG3 LYS A 67 -3.933 9.963 -6.441 1.00 63.00 H new ATOM 0 HD2 LYS A 67 -4.351 9.969 -8.821 1.00 71.23 H new ATOM 0 HD3 LYS A 67 -5.308 11.253 -8.108 1.00 71.23 H new ATOM 0 HE2 LYS A 67 -3.613 12.926 -8.792 1.00 61.24 H new ATOM 0 HE3 LYS A 67 -2.603 11.656 -9.454 1.00 61.24 H new ATOM 0 HZ1 LYS A 67 -3.892 12.737 -11.176 1.00 13.32 H new ATOM 0 HZ2 LYS A 67 -4.366 11.113 -11.030 1.00 13.32 H new ATOM 0 HZ3 LYS A 67 -5.344 12.344 -10.389 1.00 13.32 H new ATOM 1067 N GLY A 68 -2.122 14.278 -4.499 1.00 5.42 N ATOM 1068 CA GLY A 68 -2.094 15.551 -3.781 1.00 32.55 C ATOM 1069 C GLY A 68 -1.182 15.520 -2.553 1.00 61.34 C ATOM 1070 O GLY A 68 -0.099 14.937 -2.591 1.00 62.52 O ATOM 0 H GLY A 68 -1.562 14.257 -5.351 1.00 5.42 H new ATOM 0 HA2 GLY A 68 -1.758 16.337 -4.457 1.00 32.55 H new ATOM 0 HA3 GLY A 68 -3.106 15.809 -3.470 1.00 32.55 H new ATOM 1074 N ARG A 69 -1.624 16.135 -1.453 1.00 15.03 N ATOM 1075 CA ARG A 69 -0.849 16.134 -0.201 1.00 41.44 C ATOM 1076 C ARG A 69 -0.703 14.710 0.353 1.00 31.42 C ATOM 1077 O ARG A 69 0.325 14.353 0.938 1.00 62.51 O ATOM 1078 CB ARG A 69 -1.519 17.028 0.850 1.00 72.13 C ATOM 1079 CG ARG A 69 -1.625 18.496 0.442 1.00 65.14 C ATOM 1080 CD ARG A 69 -2.208 19.352 1.563 1.00 13.21 C ATOM 1081 NE ARG A 69 -1.378 19.313 2.770 1.00 53.45 N ATOM 1082 CZ ARG A 69 -1.660 19.948 3.876 1.00 71.33 C ATOM 1083 NH1 ARG A 69 -2.736 20.658 3.976 1.00 33.40 N ATOM 1084 NH2 ARG A 69 -0.860 19.859 4.886 1.00 11.14 N ATOM 0 H ARG A 69 -2.509 16.639 -1.400 1.00 15.03 H new ATOM 0 HA ARG A 69 0.143 16.527 -0.425 1.00 41.44 H new ATOM 0 HB2 ARG A 69 -2.519 16.645 1.053 1.00 72.13 H new ATOM 0 HB3 ARG A 69 -0.957 16.960 1.781 1.00 72.13 H new ATOM 0 HG2 ARG A 69 -0.638 18.871 0.173 1.00 65.14 H new ATOM 0 HG3 ARG A 69 -2.251 18.583 -0.446 1.00 65.14 H new ATOM 0 HD2 ARG A 69 -2.302 20.383 1.221 1.00 13.21 H new ATOM 0 HD3 ARG A 69 -3.212 19.002 1.802 1.00 13.21 H new ATOM 0 HE ARG A 69 -0.525 18.754 2.745 1.00 53.45 H new ATOM 0 HH11 ARG A 69 -3.377 20.727 3.185 1.00 33.40 H new ATOM 0 HH12 ARG A 69 -2.944 21.149 4.846 1.00 33.40 H new ATOM 0 HH21 ARG A 69 -0.013 19.295 4.817 1.00 11.14 H new ATOM 0 HH22 ARG A 69 -1.075 20.353 5.752 1.00 11.14 H new ATOM 1098 N ASP A 70 -1.746 13.905 0.162 1.00 32.14 N ATOM 1099 CA ASP A 70 -1.740 12.501 0.574 1.00 51.34 C ATOM 1100 C ASP A 70 -0.637 11.711 -0.156 1.00 43.21 C ATOM 1101 O ASP A 70 -0.115 10.720 0.365 1.00 2.21 O ATOM 1102 CB ASP A 70 -3.109 11.876 0.290 1.00 72.03 C ATOM 1103 CG ASP A 70 -4.232 12.562 1.047 1.00 64.21 C ATOM 1104 OD1 ASP A 70 -4.552 13.727 0.725 1.00 13.54 O ATOM 1105 OD2 ASP A 70 -4.804 11.943 1.965 1.00 62.24 O ATOM 0 H ASP A 70 -2.615 14.204 -0.280 1.00 32.14 H new ATOM 0 HA ASP A 70 -1.533 12.457 1.643 1.00 51.34 H new ATOM 0 HB2 ASP A 70 -3.313 11.927 -0.780 1.00 72.03 H new ATOM 0 HB3 ASP A 70 -3.085 10.820 0.560 1.00 72.03 H new ATOM 1110 N LEU A 71 -0.286 12.168 -1.358 1.00 4.55 N ATOM 1111 CA LEU A 71 0.772 11.544 -2.160 1.00 30.42 C ATOM 1112 C LEU A 71 2.143 11.729 -1.488 1.00 24.03 C ATOM 1113 O LEU A 71 2.905 10.772 -1.332 1.00 52.12 O ATOM 1114 CB LEU A 71 0.756 12.140 -3.583 1.00 72.14 C ATOM 1115 CG LEU A 71 1.734 11.514 -4.605 1.00 33.32 C ATOM 1116 CD1 LEU A 71 1.154 11.575 -6.018 1.00 43.42 C ATOM 1117 CD2 LEU A 71 3.091 12.218 -4.569 1.00 1.33 C ATOM 0 H LEU A 71 -0.722 12.976 -1.803 1.00 4.55 H new ATOM 0 HA LEU A 71 0.588 10.472 -2.231 1.00 30.42 H new ATOM 0 HB2 LEU A 71 -0.255 12.050 -3.979 1.00 72.14 H new ATOM 0 HB3 LEU A 71 0.975 13.205 -3.509 1.00 72.14 H new ATOM 0 HG LEU A 71 1.877 10.470 -4.328 1.00 33.32 H new ATOM 0 HD11 LEU A 71 1.859 11.129 -6.720 1.00 43.42 H new ATOM 0 HD12 LEU A 71 0.213 11.025 -6.049 1.00 43.42 H new ATOM 0 HD13 LEU A 71 0.976 12.614 -6.294 1.00 43.42 H new ATOM 0 HD21 LEU A 71 3.759 11.758 -5.297 1.00 1.33 H new ATOM 0 HD22 LEU A 71 2.960 13.273 -4.812 1.00 1.33 H new ATOM 0 HD23 LEU A 71 3.522 12.126 -3.572 1.00 1.33 H new ATOM 1129 N ASP A 72 2.448 12.961 -1.075 1.00 61.41 N ATOM 1130 CA ASP A 72 3.693 13.245 -0.352 1.00 53.44 C ATOM 1131 C ASP A 72 3.721 12.543 1.014 1.00 54.32 C ATOM 1132 O ASP A 72 4.778 12.115 1.479 1.00 34.43 O ATOM 1133 CB ASP A 72 3.883 14.754 -0.182 1.00 44.53 C ATOM 1134 CG ASP A 72 4.187 15.437 -1.501 1.00 33.14 C ATOM 1135 OD1 ASP A 72 5.371 15.473 -1.901 1.00 50.31 O ATOM 1136 OD2 ASP A 72 3.250 15.935 -2.153 1.00 40.20 O ATOM 0 H ASP A 72 1.854 13.776 -1.227 1.00 61.41 H new ATOM 0 HA ASP A 72 4.519 12.853 -0.946 1.00 53.44 H new ATOM 0 HB2 ASP A 72 2.982 15.187 0.252 1.00 44.53 H new ATOM 0 HB3 ASP A 72 4.696 14.941 0.520 1.00 44.53 H new ATOM 1141 N ARG A 73 2.556 12.425 1.649 1.00 44.23 N ATOM 1142 CA ARG A 73 2.430 11.668 2.898 1.00 22.00 C ATOM 1143 C ARG A 73 2.910 10.219 2.706 1.00 44.31 C ATOM 1144 O ARG A 73 3.734 9.714 3.472 1.00 22.02 O ATOM 1145 CB ARG A 73 0.968 11.675 3.377 1.00 23.14 C ATOM 1146 CG ARG A 73 0.727 10.869 4.652 1.00 43.32 C ATOM 1147 CD ARG A 73 -0.759 10.738 4.974 1.00 53.21 C ATOM 1148 NE ARG A 73 -1.378 12.014 5.336 1.00 4.23 N ATOM 1149 CZ ARG A 73 -2.549 12.406 4.907 1.00 62.42 C ATOM 1150 NH1 ARG A 73 -3.210 11.687 4.060 1.00 21.31 N ATOM 1151 NH2 ARG A 73 -3.061 13.515 5.328 1.00 42.40 N ATOM 0 H ARG A 73 1.685 12.843 1.321 1.00 44.23 H new ATOM 0 HA ARG A 73 3.056 12.145 3.652 1.00 22.00 H new ATOM 0 HB2 ARG A 73 0.657 12.706 3.547 1.00 23.14 H new ATOM 0 HB3 ARG A 73 0.335 11.278 2.584 1.00 23.14 H new ATOM 0 HG2 ARG A 73 1.163 9.876 4.541 1.00 43.32 H new ATOM 0 HG3 ARG A 73 1.238 11.350 5.487 1.00 43.32 H new ATOM 0 HD2 ARG A 73 -1.277 10.321 4.111 1.00 53.21 H new ATOM 0 HD3 ARG A 73 -0.887 10.032 5.795 1.00 53.21 H new ATOM 0 HE ARG A 73 -0.864 12.635 5.961 1.00 4.23 H new ATOM 0 HH11 ARG A 73 -2.818 10.808 3.722 1.00 21.31 H new ATOM 0 HH12 ARG A 73 -4.123 11.999 3.729 1.00 21.31 H new ATOM 0 HH21 ARG A 73 -2.551 14.090 5.999 1.00 42.40 H new ATOM 0 HH22 ARG A 73 -3.975 13.816 4.990 1.00 42.40 H new ATOM 1165 N GLN A 74 2.393 9.560 1.665 1.00 53.04 N ATOM 1166 CA GLN A 74 2.784 8.182 1.345 1.00 34.21 C ATOM 1167 C GLN A 74 4.258 8.113 0.895 1.00 42.02 C ATOM 1168 O GLN A 74 4.957 7.142 1.189 1.00 54.02 O ATOM 1169 CB GLN A 74 1.840 7.599 0.277 1.00 45.40 C ATOM 1170 CG GLN A 74 2.169 6.166 -0.152 1.00 5.31 C ATOM 1171 CD GLN A 74 0.994 5.467 -0.833 1.00 32.24 C ATOM 1172 OE1 GLN A 74 0.128 6.104 -1.418 1.00 23.12 O ATOM 1173 NE2 GLN A 74 0.973 4.150 -0.786 1.00 34.51 N ATOM 0 H GLN A 74 1.702 9.958 1.029 1.00 53.04 H new ATOM 0 HA GLN A 74 2.695 7.576 2.247 1.00 34.21 H new ATOM 0 HB2 GLN A 74 0.820 7.624 0.660 1.00 45.40 H new ATOM 0 HB3 GLN A 74 1.866 8.243 -0.602 1.00 45.40 H new ATOM 0 HG2 GLN A 74 3.020 6.182 -0.833 1.00 5.31 H new ATOM 0 HG3 GLN A 74 2.471 5.590 0.723 1.00 5.31 H new ATOM 0 HE21 GLN A 74 1.708 3.646 -0.291 1.00 34.51 H new ATOM 0 HE22 GLN A 74 0.221 3.635 -1.245 1.00 34.51 H new ATOM 1182 N LYS A 75 4.728 9.155 0.195 1.00 22.43 N ATOM 1183 CA LYS A 75 6.154 9.280 -0.163 1.00 60.20 C ATOM 1184 C LYS A 75 7.052 9.216 1.080 1.00 43.42 C ATOM 1185 O LYS A 75 7.869 8.311 1.223 1.00 43.20 O ATOM 1186 CB LYS A 75 6.425 10.610 -0.889 1.00 55.00 C ATOM 1187 CG LYS A 75 6.025 10.635 -2.358 1.00 15.24 C ATOM 1188 CD LYS A 75 6.106 12.050 -2.931 1.00 63.23 C ATOM 1189 CE LYS A 75 7.486 12.678 -2.745 1.00 4.00 C ATOM 1190 NZ LYS A 75 7.488 14.117 -3.117 1.00 44.30 N ATOM 0 H LYS A 75 4.145 9.924 -0.136 1.00 22.43 H new ATOM 0 HA LYS A 75 6.387 8.443 -0.822 1.00 60.20 H new ATOM 0 HB2 LYS A 75 5.891 11.406 -0.369 1.00 55.00 H new ATOM 0 HB3 LYS A 75 7.488 10.838 -0.814 1.00 55.00 H new ATOM 0 HG2 LYS A 75 6.678 9.972 -2.926 1.00 15.24 H new ATOM 0 HG3 LYS A 75 5.010 10.253 -2.467 1.00 15.24 H new ATOM 0 HD2 LYS A 75 5.863 12.023 -3.993 1.00 63.23 H new ATOM 0 HD3 LYS A 75 5.357 12.677 -2.448 1.00 63.23 H new ATOM 0 HE2 LYS A 75 7.798 12.570 -1.706 1.00 4.00 H new ATOM 0 HE3 LYS A 75 8.215 12.143 -3.354 1.00 4.00 H new ATOM 0 HZ1 LYS A 75 8.417 14.531 -2.899 1.00 44.30 H new ATOM 0 HZ2 LYS A 75 7.297 14.213 -4.135 1.00 44.30 H new ATOM 0 HZ3 LYS A 75 6.752 14.616 -2.578 1.00 44.30 H new ATOM 1204 N GLN A 76 6.880 10.193 1.971 1.00 74.33 N ATOM 1205 CA GLN A 76 7.719 10.334 3.171 1.00 2.12 C ATOM 1206 C GLN A 76 7.761 9.041 4.001 1.00 55.41 C ATOM 1207 O GLN A 76 8.801 8.683 4.560 1.00 24.30 O ATOM 1208 CB GLN A 76 7.201 11.506 4.015 1.00 24.24 C ATOM 1209 CG GLN A 76 7.280 12.848 3.290 1.00 35.23 C ATOM 1210 CD GLN A 76 6.543 13.969 4.008 1.00 15.20 C ATOM 1211 OE1 GLN A 76 6.422 13.975 5.230 1.00 20.42 O ATOM 1212 NE2 GLN A 76 6.047 14.930 3.251 1.00 72.11 N ATOM 0 H GLN A 76 6.159 10.909 1.886 1.00 74.33 H new ATOM 0 HA GLN A 76 8.742 10.535 2.852 1.00 2.12 H new ATOM 0 HB2 GLN A 76 6.166 11.313 4.297 1.00 24.24 H new ATOM 0 HB3 GLN A 76 7.778 11.564 4.938 1.00 24.24 H new ATOM 0 HG2 GLN A 76 8.327 13.128 3.174 1.00 35.23 H new ATOM 0 HG3 GLN A 76 6.867 12.736 2.288 1.00 35.23 H new ATOM 0 HE21 GLN A 76 6.166 14.894 2.239 1.00 72.11 H new ATOM 0 HE22 GLN A 76 5.545 15.708 3.679 1.00 72.11 H new ATOM 1221 N LYS A 77 6.628 8.346 4.075 1.00 70.43 N ATOM 1222 CA LYS A 77 6.562 7.048 4.754 1.00 73.24 C ATOM 1223 C LYS A 77 7.490 6.014 4.091 1.00 3.21 C ATOM 1224 O LYS A 77 8.335 5.405 4.749 1.00 65.15 O ATOM 1225 CB LYS A 77 5.119 6.525 4.757 1.00 32.33 C ATOM 1226 CG LYS A 77 4.167 7.323 5.639 1.00 63.33 C ATOM 1227 CD LYS A 77 4.572 7.249 7.109 1.00 20.31 C ATOM 1228 CE LYS A 77 3.556 7.937 8.010 1.00 62.00 C ATOM 1229 NZ LYS A 77 3.951 7.881 9.441 1.00 61.10 N ATOM 0 H LYS A 77 5.743 8.657 3.675 1.00 70.43 H new ATOM 0 HA LYS A 77 6.898 7.194 5.780 1.00 73.24 H new ATOM 0 HB2 LYS A 77 4.740 6.531 3.735 1.00 32.33 H new ATOM 0 HB3 LYS A 77 5.121 5.487 5.090 1.00 32.33 H new ATOM 0 HG2 LYS A 77 4.156 8.364 5.316 1.00 63.33 H new ATOM 0 HG3 LYS A 77 3.153 6.941 5.520 1.00 63.33 H new ATOM 0 HD2 LYS A 77 4.673 6.205 7.406 1.00 20.31 H new ATOM 0 HD3 LYS A 77 5.549 7.714 7.241 1.00 20.31 H new ATOM 0 HE2 LYS A 77 3.447 8.978 7.705 1.00 62.00 H new ATOM 0 HE3 LYS A 77 2.582 7.464 7.884 1.00 62.00 H new ATOM 0 HZ1 LYS A 77 3.232 8.361 10.019 1.00 61.10 H new ATOM 0 HZ2 LYS A 77 4.030 6.888 9.741 1.00 61.10 H new ATOM 0 HZ3 LYS A 77 4.868 8.355 9.567 1.00 61.10 H new ATOM 1243 N LEU A 78 7.336 5.836 2.782 1.00 3.34 N ATOM 1244 CA LEU A 78 8.136 4.862 2.029 1.00 71.14 C ATOM 1245 C LEU A 78 9.626 5.247 2.013 1.00 64.54 C ATOM 1246 O LEU A 78 10.503 4.391 2.156 1.00 15.35 O ATOM 1247 CB LEU A 78 7.591 4.741 0.602 1.00 32.11 C ATOM 1248 CG LEU A 78 6.140 4.235 0.508 1.00 15.33 C ATOM 1249 CD1 LEU A 78 5.618 4.336 -0.919 1.00 23.51 C ATOM 1250 CD2 LEU A 78 6.033 2.797 1.014 1.00 72.22 C ATOM 0 H LEU A 78 6.664 6.353 2.215 1.00 3.34 H new ATOM 0 HA LEU A 78 8.058 3.895 2.526 1.00 71.14 H new ATOM 0 HB2 LEU A 78 7.653 5.717 0.120 1.00 32.11 H new ATOM 0 HB3 LEU A 78 8.234 4.065 0.038 1.00 32.11 H new ATOM 0 HG LEU A 78 5.523 4.871 1.143 1.00 15.33 H new ATOM 0 HD11 LEU A 78 4.591 3.972 -0.957 1.00 23.51 H new ATOM 0 HD12 LEU A 78 5.647 5.376 -1.244 1.00 23.51 H new ATOM 0 HD13 LEU A 78 6.242 3.732 -1.578 1.00 23.51 H new ATOM 0 HD21 LEU A 78 4.999 2.461 0.938 1.00 72.22 H new ATOM 0 HD22 LEU A 78 6.670 2.151 0.410 1.00 72.22 H new ATOM 0 HD23 LEU A 78 6.354 2.753 2.055 1.00 72.22 H new ATOM 1262 N GLU A 79 9.897 6.539 1.845 1.00 35.23 N ATOM 1263 CA GLU A 79 11.260 7.077 1.923 1.00 52.01 C ATOM 1264 C GLU A 79 11.921 6.714 3.263 1.00 2.34 C ATOM 1265 O GLU A 79 13.081 6.296 3.310 1.00 74.34 O ATOM 1266 CB GLU A 79 11.232 8.605 1.759 1.00 45.32 C ATOM 1267 CG GLU A 79 10.915 9.084 0.342 1.00 61.22 C ATOM 1268 CD GLU A 79 12.030 8.782 -0.651 1.00 32.41 C ATOM 1269 OE1 GLU A 79 13.216 8.957 -0.291 1.00 72.23 O ATOM 1270 OE2 GLU A 79 11.730 8.402 -1.803 1.00 11.03 O ATOM 0 H GLU A 79 9.184 7.243 1.652 1.00 35.23 H new ATOM 0 HA GLU A 79 11.845 6.634 1.117 1.00 52.01 H new ATOM 0 HB2 GLU A 79 10.491 9.018 2.443 1.00 45.32 H new ATOM 0 HB3 GLU A 79 12.200 9.008 2.057 1.00 45.32 H new ATOM 0 HG2 GLU A 79 9.994 8.610 0.002 1.00 61.22 H new ATOM 0 HG3 GLU A 79 10.733 10.159 0.360 1.00 61.22 H new ATOM 1277 N ALA A 80 11.165 6.873 4.350 1.00 50.23 N ATOM 1278 CA ALA A 80 11.640 6.504 5.687 1.00 5.44 C ATOM 1279 C ALA A 80 11.968 5.007 5.768 1.00 63.43 C ATOM 1280 O ALA A 80 12.884 4.598 6.481 1.00 70.43 O ATOM 1281 CB ALA A 80 10.598 6.877 6.739 1.00 42.23 C ATOM 0 H ALA A 80 10.220 7.255 4.332 1.00 50.23 H new ATOM 0 HA ALA A 80 12.557 7.059 5.884 1.00 5.44 H new ATOM 0 HB1 ALA A 80 10.963 6.598 7.727 1.00 42.23 H new ATOM 0 HB2 ALA A 80 10.419 7.952 6.709 1.00 42.23 H new ATOM 0 HB3 ALA A 80 9.667 6.348 6.533 1.00 42.23 H new ATOM 1287 N GLU A 81 11.234 4.202 5.006 1.00 33.24 N ATOM 1288 CA GLU A 81 11.413 2.746 5.004 1.00 44.13 C ATOM 1289 C GLU A 81 12.484 2.283 3.996 1.00 21.31 C ATOM 1290 O GLU A 81 12.623 1.086 3.734 1.00 53.15 O ATOM 1291 CB GLU A 81 10.070 2.072 4.697 1.00 63.32 C ATOM 1292 CG GLU A 81 8.973 2.401 5.708 1.00 50.04 C ATOM 1293 CD GLU A 81 9.292 1.897 7.106 1.00 65.04 C ATOM 1294 OE1 GLU A 81 8.948 0.735 7.413 1.00 50.25 O ATOM 1295 OE2 GLU A 81 9.903 2.644 7.895 1.00 3.43 O ATOM 0 H GLU A 81 10.503 4.533 4.376 1.00 33.24 H new ATOM 0 HA GLU A 81 11.765 2.453 5.993 1.00 44.13 H new ATOM 0 HB2 GLU A 81 9.740 2.376 3.704 1.00 63.32 H new ATOM 0 HB3 GLU A 81 10.214 0.992 4.668 1.00 63.32 H new ATOM 0 HG2 GLU A 81 8.827 3.481 5.740 1.00 50.04 H new ATOM 0 HG3 GLU A 81 8.033 1.962 5.374 1.00 50.04 H new ATOM 1302 N GLY A 82 13.230 3.231 3.428 1.00 52.20 N ATOM 1303 CA GLY A 82 14.333 2.895 2.524 1.00 32.34 C ATOM 1304 C GLY A 82 13.903 2.705 1.070 1.00 41.44 C ATOM 1305 O GLY A 82 14.720 2.352 0.214 1.00 70.13 O ATOM 0 H GLY A 82 13.093 4.231 3.576 1.00 52.20 H new ATOM 0 HA2 GLY A 82 15.082 3.685 2.571 1.00 32.34 H new ATOM 0 HA3 GLY A 82 14.812 1.980 2.874 1.00 32.34 H new ATOM 1309 N ILE A 83 12.626 2.949 0.785 1.00 11.24 N ATOM 1310 CA ILE A 83 12.088 2.798 -0.572 1.00 23.32 C ATOM 1311 C ILE A 83 12.267 4.089 -1.387 1.00 31.40 C ATOM 1312 O ILE A 83 11.976 5.184 -0.901 1.00 71.10 O ATOM 1313 CB ILE A 83 10.585 2.418 -0.529 1.00 50.11 C ATOM 1314 CG1 ILE A 83 10.398 1.113 0.267 1.00 32.11 C ATOM 1315 CG2 ILE A 83 10.013 2.282 -1.944 1.00 1.01 C ATOM 1316 CD1 ILE A 83 8.955 0.683 0.420 1.00 10.52 C ATOM 0 H ILE A 83 11.940 3.253 1.476 1.00 11.24 H new ATOM 0 HA ILE A 83 12.646 1.997 -1.057 1.00 23.32 H new ATOM 0 HB ILE A 83 10.037 3.216 -0.028 1.00 50.11 H new ATOM 0 HG12 ILE A 83 10.953 0.316 -0.228 1.00 32.11 H new ATOM 0 HG13 ILE A 83 10.835 1.239 1.257 1.00 32.11 H new ATOM 0 HG21 ILE A 83 8.958 2.015 -1.886 1.00 1.01 H new ATOM 0 HG22 ILE A 83 10.119 3.230 -2.472 1.00 1.01 H new ATOM 0 HG23 ILE A 83 10.555 1.504 -2.482 1.00 1.01 H new ATOM 0 HD11 ILE A 83 8.910 -0.244 0.992 1.00 10.52 H new ATOM 0 HD12 ILE A 83 8.397 1.460 0.943 1.00 10.52 H new ATOM 0 HD13 ILE A 83 8.517 0.523 -0.565 1.00 10.52 H new ATOM 1328 N GLU A 84 12.761 3.962 -2.619 1.00 2.22 N ATOM 1329 CA GLU A 84 12.954 5.124 -3.495 1.00 4.42 C ATOM 1330 C GLU A 84 11.687 5.431 -4.307 1.00 44.12 C ATOM 1331 O GLU A 84 11.400 4.770 -5.307 1.00 23.21 O ATOM 1332 CB GLU A 84 14.132 4.890 -4.450 1.00 15.01 C ATOM 1333 CG GLU A 84 15.445 4.549 -3.753 1.00 10.35 C ATOM 1334 CD GLU A 84 16.620 4.508 -4.715 1.00 24.24 C ATOM 1335 OE1 GLU A 84 16.648 3.626 -5.598 1.00 43.31 O ATOM 1336 OE2 GLU A 84 17.524 5.363 -4.596 1.00 52.43 O ATOM 0 H GLU A 84 13.035 3.071 -3.034 1.00 2.22 H new ATOM 0 HA GLU A 84 13.171 5.981 -2.857 1.00 4.42 H new ATOM 0 HB2 GLU A 84 13.876 4.080 -5.133 1.00 15.01 H new ATOM 0 HB3 GLU A 84 14.277 5.784 -5.056 1.00 15.01 H new ATOM 0 HG2 GLU A 84 15.642 5.287 -2.975 1.00 10.35 H new ATOM 0 HG3 GLU A 84 15.350 3.582 -3.259 1.00 10.35 H new ATOM 1343 N VAL A 85 10.927 6.427 -3.871 1.00 13.44 N ATOM 1344 CA VAL A 85 9.742 6.869 -4.608 1.00 61.44 C ATOM 1345 C VAL A 85 10.108 7.967 -5.618 1.00 74.14 C ATOM 1346 O VAL A 85 10.622 9.025 -5.244 1.00 10.13 O ATOM 1347 CB VAL A 85 8.643 7.402 -3.655 1.00 20.13 C ATOM 1348 CG1 VAL A 85 7.391 7.798 -4.437 1.00 34.44 C ATOM 1349 CG2 VAL A 85 8.310 6.366 -2.580 1.00 31.42 C ATOM 0 H VAL A 85 11.107 6.946 -3.012 1.00 13.44 H new ATOM 0 HA VAL A 85 9.353 5.999 -5.138 1.00 61.44 H new ATOM 0 HB VAL A 85 9.026 8.294 -3.159 1.00 20.13 H new ATOM 0 HG11 VAL A 85 6.633 8.169 -3.747 1.00 34.44 H new ATOM 0 HG12 VAL A 85 7.642 8.579 -5.155 1.00 34.44 H new ATOM 0 HG13 VAL A 85 7.003 6.929 -4.968 1.00 34.44 H new ATOM 0 HG21 VAL A 85 7.536 6.761 -1.922 1.00 31.42 H new ATOM 0 HG22 VAL A 85 7.952 5.452 -3.054 1.00 31.42 H new ATOM 0 HG23 VAL A 85 9.204 6.146 -1.997 1.00 31.42 H new ATOM 1359 N SER A 86 9.848 7.710 -6.898 1.00 62.35 N ATOM 1360 CA SER A 86 10.143 8.684 -7.957 1.00 64.24 C ATOM 1361 C SER A 86 9.227 9.913 -7.849 1.00 71.41 C ATOM 1362 O SER A 86 8.056 9.789 -7.487 1.00 64.12 O ATOM 1363 CB SER A 86 10.000 8.031 -9.337 1.00 74.45 C ATOM 1364 OG SER A 86 10.835 6.886 -9.455 1.00 40.03 O ATOM 0 H SER A 86 9.435 6.839 -7.231 1.00 62.35 H new ATOM 0 HA SER A 86 11.173 9.019 -7.831 1.00 64.24 H new ATOM 0 HB2 SER A 86 8.961 7.745 -9.500 1.00 74.45 H new ATOM 0 HB3 SER A 86 10.257 8.753 -10.112 1.00 74.45 H new ATOM 0 HG SER A 86 10.722 6.489 -10.344 1.00 40.03 H new ATOM 1370 N GLU A 87 9.773 11.078 -8.209 1.00 53.23 N ATOM 1371 CA GLU A 87 9.150 12.398 -7.966 1.00 33.24 C ATOM 1372 C GLU A 87 7.624 12.463 -8.213 1.00 23.14 C ATOM 1373 O GLU A 87 6.877 12.920 -7.347 1.00 22.30 O ATOM 1374 CB GLU A 87 9.861 13.458 -8.820 1.00 24.00 C ATOM 1375 CG GLU A 87 9.975 13.088 -10.297 1.00 43.45 C ATOM 1376 CD GLU A 87 10.715 14.138 -11.107 1.00 12.55 C ATOM 1377 OE1 GLU A 87 11.958 14.213 -10.999 1.00 5.02 O ATOM 1378 OE2 GLU A 87 10.056 14.896 -11.851 1.00 42.43 O ATOM 0 H GLU A 87 10.673 11.140 -8.685 1.00 53.23 H new ATOM 0 HA GLU A 87 9.274 12.592 -6.900 1.00 33.24 H new ATOM 0 HB2 GLU A 87 9.323 14.402 -8.732 1.00 24.00 H new ATOM 0 HB3 GLU A 87 10.861 13.623 -8.419 1.00 24.00 H new ATOM 0 HG2 GLU A 87 10.491 12.133 -10.390 1.00 43.45 H new ATOM 0 HG3 GLU A 87 8.976 12.952 -10.712 1.00 43.45 H new ATOM 1385 N ILE A 88 7.163 12.022 -9.385 1.00 52.44 N ATOM 1386 CA ILE A 88 5.737 12.143 -9.745 1.00 22.43 C ATOM 1387 C ILE A 88 4.844 11.125 -9.010 1.00 73.52 C ATOM 1388 O ILE A 88 3.618 11.173 -9.114 1.00 51.34 O ATOM 1389 CB ILE A 88 5.522 12.039 -11.287 1.00 31.11 C ATOM 1390 CG1 ILE A 88 6.230 10.805 -11.894 1.00 3.53 C ATOM 1391 CG2 ILE A 88 6.000 13.318 -11.973 1.00 34.34 C ATOM 1392 CD1 ILE A 88 5.530 9.483 -11.644 1.00 51.31 C ATOM 0 H ILE A 88 7.744 11.582 -10.098 1.00 52.44 H new ATOM 0 HA ILE A 88 5.431 13.137 -9.417 1.00 22.43 H new ATOM 0 HB ILE A 88 4.453 11.914 -11.460 1.00 31.11 H new ATOM 0 HG12 ILE A 88 6.326 10.951 -12.970 1.00 3.53 H new ATOM 0 HG13 ILE A 88 7.240 10.747 -11.489 1.00 3.53 H new ATOM 0 HG21 ILE A 88 5.845 13.234 -13.049 1.00 34.34 H new ATOM 0 HG22 ILE A 88 5.436 14.169 -11.591 1.00 34.34 H new ATOM 0 HG23 ILE A 88 7.061 13.465 -11.770 1.00 34.34 H new ATOM 0 HD11 ILE A 88 6.099 8.677 -12.106 1.00 51.31 H new ATOM 0 HD12 ILE A 88 5.458 9.307 -10.571 1.00 51.31 H new ATOM 0 HD13 ILE A 88 4.529 9.514 -12.075 1.00 51.31 H new ATOM 1404 N GLY A 89 5.463 10.217 -8.261 1.00 25.43 N ATOM 1405 CA GLY A 89 4.714 9.206 -7.522 1.00 41.00 C ATOM 1406 C GLY A 89 4.807 7.816 -8.144 1.00 73.32 C ATOM 1407 O GLY A 89 3.798 7.127 -8.295 1.00 14.30 O ATOM 0 H GLY A 89 6.475 10.160 -8.150 1.00 25.43 H new ATOM 0 HA2 GLY A 89 5.085 9.164 -6.498 1.00 41.00 H new ATOM 0 HA3 GLY A 89 3.667 9.504 -7.470 1.00 41.00 H new ATOM 1411 N LYS A 90 6.024 7.399 -8.495 1.00 71.42 N ATOM 1412 CA LYS A 90 6.251 6.087 -9.126 1.00 12.24 C ATOM 1413 C LYS A 90 7.123 5.170 -8.248 1.00 73.12 C ATOM 1414 O LYS A 90 8.097 5.618 -7.639 1.00 62.11 O ATOM 1415 CB LYS A 90 6.896 6.273 -10.511 1.00 42.43 C ATOM 1416 CG LYS A 90 7.388 4.979 -11.156 1.00 63.22 C ATOM 1417 CD LYS A 90 8.038 5.235 -12.516 1.00 2.13 C ATOM 1418 CE LYS A 90 8.736 3.990 -13.053 1.00 44.42 C ATOM 1419 NZ LYS A 90 9.887 3.592 -12.198 1.00 33.24 N ATOM 0 H LYS A 90 6.872 7.948 -8.355 1.00 71.42 H new ATOM 0 HA LYS A 90 5.282 5.602 -9.241 1.00 12.24 H new ATOM 0 HB2 LYS A 90 6.171 6.743 -11.176 1.00 42.43 H new ATOM 0 HB3 LYS A 90 7.736 6.961 -10.418 1.00 42.43 H new ATOM 0 HG2 LYS A 90 8.106 4.494 -10.495 1.00 63.22 H new ATOM 0 HG3 LYS A 90 6.551 4.292 -11.277 1.00 63.22 H new ATOM 0 HD2 LYS A 90 7.278 5.561 -13.226 1.00 2.13 H new ATOM 0 HD3 LYS A 90 8.760 6.047 -12.427 1.00 2.13 H new ATOM 0 HE2 LYS A 90 8.022 3.168 -13.108 1.00 44.42 H new ATOM 0 HE3 LYS A 90 9.085 4.178 -14.068 1.00 44.42 H new ATOM 0 HZ1 LYS A 90 10.511 2.954 -12.731 1.00 33.24 H new ATOM 0 HZ2 LYS A 90 10.419 4.440 -11.915 1.00 33.24 H new ATOM 0 HZ3 LYS A 90 9.536 3.104 -11.349 1.00 33.24 H new ATOM 1433 N ILE A 91 6.764 3.885 -8.197 1.00 50.44 N ATOM 1434 CA ILE A 91 7.489 2.889 -7.392 1.00 10.40 C ATOM 1435 C ILE A 91 7.807 1.630 -8.218 1.00 14.44 C ATOM 1436 O ILE A 91 6.914 1.020 -8.811 1.00 32.34 O ATOM 1437 CB ILE A 91 6.662 2.472 -6.147 1.00 4.54 C ATOM 1438 CG1 ILE A 91 6.273 3.708 -5.320 1.00 71.05 C ATOM 1439 CG2 ILE A 91 7.444 1.472 -5.289 1.00 33.34 C ATOM 1440 CD1 ILE A 91 5.321 3.410 -4.183 1.00 4.34 C ATOM 0 H ILE A 91 5.968 3.504 -8.708 1.00 50.44 H new ATOM 0 HA ILE A 91 8.421 3.355 -7.072 1.00 10.40 H new ATOM 0 HB ILE A 91 5.748 1.986 -6.489 1.00 4.54 H new ATOM 0 HG12 ILE A 91 7.178 4.161 -4.914 1.00 71.05 H new ATOM 0 HG13 ILE A 91 5.816 4.445 -5.980 1.00 71.05 H new ATOM 0 HG21 ILE A 91 6.847 1.192 -4.421 1.00 33.34 H new ATOM 0 HG22 ILE A 91 7.666 0.583 -5.879 1.00 33.34 H new ATOM 0 HG23 ILE A 91 8.376 1.929 -4.956 1.00 33.34 H new ATOM 0 HD11 ILE A 91 5.094 4.332 -3.647 1.00 4.34 H new ATOM 0 HD12 ILE A 91 4.399 2.986 -4.582 1.00 4.34 H new ATOM 0 HD13 ILE A 91 5.782 2.697 -3.500 1.00 4.34 H new ATOM 1452 N ALA A 92 9.079 1.239 -8.250 1.00 50.44 N ATOM 1453 CA ALA A 92 9.503 0.047 -8.993 1.00 14.33 C ATOM 1454 C ALA A 92 9.008 -1.252 -8.329 1.00 31.34 C ATOM 1455 O ALA A 92 9.639 -1.769 -7.404 1.00 35.52 O ATOM 1456 CB ALA A 92 11.023 0.028 -9.127 1.00 44.32 C ATOM 0 H ALA A 92 9.836 1.727 -7.772 1.00 50.44 H new ATOM 0 HA ALA A 92 9.053 0.097 -9.984 1.00 14.33 H new ATOM 0 HB1 ALA A 92 11.328 -0.860 -9.680 1.00 44.32 H new ATOM 0 HB2 ALA A 92 11.352 0.919 -9.661 1.00 44.32 H new ATOM 0 HB3 ALA A 92 11.475 0.012 -8.135 1.00 44.32 H new ATOM 1462 N LEU A 93 7.877 -1.775 -8.802 1.00 61.22 N ATOM 1463 CA LEU A 93 7.315 -3.019 -8.261 1.00 4.44 C ATOM 1464 C LEU A 93 8.319 -4.180 -8.331 1.00 40.54 C ATOM 1465 O LEU A 93 8.579 -4.839 -7.332 1.00 33.43 O ATOM 1466 CB LEU A 93 6.022 -3.398 -8.997 1.00 73.23 C ATOM 1467 CG LEU A 93 4.814 -2.493 -8.707 1.00 1.13 C ATOM 1468 CD1 LEU A 93 3.600 -2.933 -9.519 1.00 14.33 C ATOM 1469 CD2 LEU A 93 4.489 -2.498 -7.212 1.00 72.24 C ATOM 0 H LEU A 93 7.331 -1.360 -9.557 1.00 61.22 H new ATOM 0 HA LEU A 93 7.087 -2.836 -7.211 1.00 4.44 H new ATOM 0 HB2 LEU A 93 6.216 -3.385 -10.069 1.00 73.23 H new ATOM 0 HB3 LEU A 93 5.760 -4.423 -8.733 1.00 73.23 H new ATOM 0 HG LEU A 93 5.071 -1.476 -9.003 1.00 1.13 H new ATOM 0 HD11 LEU A 93 2.757 -2.278 -9.297 1.00 14.33 H new ATOM 0 HD12 LEU A 93 3.834 -2.877 -10.582 1.00 14.33 H new ATOM 0 HD13 LEU A 93 3.340 -3.959 -9.258 1.00 14.33 H new ATOM 0 HD21 LEU A 93 3.631 -1.852 -7.024 1.00 72.24 H new ATOM 0 HD22 LEU A 93 4.255 -3.514 -6.894 1.00 72.24 H new ATOM 0 HD23 LEU A 93 5.349 -2.131 -6.651 1.00 72.24 H new ATOM 1481 N ARG A 94 8.902 -4.407 -9.503 1.00 63.02 N ATOM 1482 CA ARG A 94 9.862 -5.511 -9.691 1.00 4.00 C ATOM 1483 C ARG A 94 11.109 -5.358 -8.795 1.00 54.12 C ATOM 1484 O ARG A 94 11.933 -6.270 -8.697 1.00 11.23 O ATOM 1485 CB ARG A 94 10.284 -5.598 -11.162 1.00 3.54 C ATOM 1486 CG ARG A 94 9.124 -5.842 -12.122 1.00 4.31 C ATOM 1487 CD ARG A 94 9.596 -5.873 -13.572 1.00 31.33 C ATOM 1488 NE ARG A 94 8.495 -6.044 -14.518 1.00 55.14 N ATOM 1489 CZ ARG A 94 8.656 -6.180 -15.805 1.00 62.03 C ATOM 1490 NH1 ARG A 94 9.843 -6.203 -16.324 1.00 34.23 N ATOM 1491 NH2 ARG A 94 7.625 -6.297 -16.574 1.00 25.44 N ATOM 0 H ARG A 94 8.734 -3.849 -10.340 1.00 63.02 H new ATOM 0 HA ARG A 94 9.358 -6.432 -9.398 1.00 4.00 H new ATOM 0 HB2 ARG A 94 10.786 -4.672 -11.442 1.00 3.54 H new ATOM 0 HB3 ARG A 94 11.012 -6.402 -11.275 1.00 3.54 H new ATOM 0 HG2 ARG A 94 8.639 -6.787 -11.876 1.00 4.31 H new ATOM 0 HG3 ARG A 94 8.377 -5.058 -11.998 1.00 4.31 H new ATOM 0 HD2 ARG A 94 10.124 -4.947 -13.798 1.00 31.33 H new ATOM 0 HD3 ARG A 94 10.310 -6.686 -13.700 1.00 31.33 H new ATOM 0 HE ARG A 94 7.544 -6.058 -14.150 1.00 55.14 H new ATOM 0 HH11 ARG A 94 10.664 -6.114 -15.725 1.00 34.23 H new ATOM 0 HH12 ARG A 94 9.957 -6.310 -17.332 1.00 34.23 H new ATOM 0 HH21 ARG A 94 6.687 -6.283 -16.175 1.00 25.44 H new ATOM 0 HH22 ARG A 94 7.749 -6.403 -17.581 1.00 25.44 H new ATOM 1505 N LYS A 95 11.239 -4.201 -8.148 1.00 34.31 N ATOM 1506 CA LYS A 95 12.369 -3.919 -7.257 1.00 3.43 C ATOM 1507 C LYS A 95 11.938 -3.919 -5.775 1.00 73.04 C ATOM 1508 O LYS A 95 12.764 -4.106 -4.880 1.00 3.33 O ATOM 1509 CB LYS A 95 12.984 -2.561 -7.629 1.00 52.24 C ATOM 1510 CG LYS A 95 14.236 -2.194 -6.837 1.00 22.52 C ATOM 1511 CD LYS A 95 14.759 -0.811 -7.224 1.00 52.30 C ATOM 1512 CE LYS A 95 16.035 -0.453 -6.472 1.00 11.33 C ATOM 1513 NZ LYS A 95 17.157 -1.376 -6.797 1.00 4.21 N ATOM 0 H LYS A 95 10.570 -3.435 -8.224 1.00 34.31 H new ATOM 0 HA LYS A 95 13.110 -4.708 -7.383 1.00 3.43 H new ATOM 0 HB2 LYS A 95 13.230 -2.567 -8.691 1.00 52.24 H new ATOM 0 HB3 LYS A 95 12.234 -1.784 -7.480 1.00 52.24 H new ATOM 0 HG2 LYS A 95 14.012 -2.214 -5.770 1.00 22.52 H new ATOM 0 HG3 LYS A 95 15.011 -2.940 -7.014 1.00 22.52 H new ATOM 0 HD2 LYS A 95 14.950 -0.783 -8.297 1.00 52.30 H new ATOM 0 HD3 LYS A 95 13.994 -0.063 -7.017 1.00 52.30 H new ATOM 0 HE2 LYS A 95 16.325 0.569 -6.717 1.00 11.33 H new ATOM 0 HE3 LYS A 95 15.843 -0.481 -5.399 1.00 11.33 H new ATOM 0 HZ1 LYS A 95 18.047 -0.983 -6.430 1.00 4.21 H new ATOM 0 HZ2 LYS A 95 16.981 -2.303 -6.360 1.00 4.21 H new ATOM 0 HZ3 LYS A 95 17.227 -1.487 -7.829 1.00 4.21 H new ATOM 1527 N TYR A 96 10.643 -3.709 -5.512 1.00 54.15 N ATOM 1528 CA TYR A 96 10.136 -3.628 -4.130 1.00 2.42 C ATOM 1529 C TYR A 96 8.946 -4.573 -3.890 1.00 4.45 C ATOM 1530 O TYR A 96 8.256 -4.461 -2.880 1.00 64.13 O ATOM 1531 CB TYR A 96 9.710 -2.187 -3.803 1.00 31.15 C ATOM 1532 CG TYR A 96 10.842 -1.176 -3.851 1.00 33.35 C ATOM 1533 CD1 TYR A 96 11.775 -1.099 -2.822 1.00 33.13 C ATOM 1534 CD2 TYR A 96 10.971 -0.293 -4.920 1.00 4.12 C ATOM 1535 CE1 TYR A 96 12.802 -0.174 -2.857 1.00 53.04 C ATOM 1536 CE2 TYR A 96 11.997 0.632 -4.961 1.00 35.25 C ATOM 1537 CZ TYR A 96 12.907 0.689 -3.928 1.00 11.04 C ATOM 1538 OH TYR A 96 13.925 1.612 -3.962 1.00 1.21 O ATOM 0 H TYR A 96 9.928 -3.592 -6.230 1.00 54.15 H new ATOM 0 HA TYR A 96 10.950 -3.937 -3.475 1.00 2.42 H new ATOM 0 HB2 TYR A 96 8.935 -1.881 -4.506 1.00 31.15 H new ATOM 0 HB3 TYR A 96 9.264 -2.169 -2.809 1.00 31.15 H new ATOM 0 HD1 TYR A 96 11.696 -1.773 -1.982 1.00 33.13 H new ATOM 0 HD2 TYR A 96 10.258 -0.332 -5.730 1.00 4.12 H new ATOM 0 HE1 TYR A 96 13.518 -0.127 -2.050 1.00 53.04 H new ATOM 0 HE2 TYR A 96 12.085 1.307 -5.799 1.00 35.25 H new ATOM 0 HH TYR A 96 14.168 1.797 -4.893 1.00 1.21 H new ATOM 1548 N LYS A 97 8.716 -5.504 -4.807 1.00 55.12 N ATOM 1549 CA LYS A 97 7.560 -6.399 -4.725 1.00 35.11 C ATOM 1550 C LYS A 97 7.598 -7.298 -3.478 1.00 40.51 C ATOM 1551 O LYS A 97 8.615 -7.927 -3.175 1.00 13.41 O ATOM 1552 CB LYS A 97 7.473 -7.269 -5.982 1.00 41.23 C ATOM 1553 CG LYS A 97 6.251 -8.174 -5.998 1.00 44.24 C ATOM 1554 CD LYS A 97 6.139 -8.957 -7.299 1.00 30.40 C ATOM 1555 CE LYS A 97 5.015 -9.994 -7.248 1.00 71.34 C ATOM 1556 NZ LYS A 97 3.705 -9.392 -6.873 1.00 33.13 N ATOM 0 H LYS A 97 9.313 -5.662 -5.619 1.00 55.12 H new ATOM 0 HA LYS A 97 6.676 -5.767 -4.648 1.00 35.11 H new ATOM 0 HB2 LYS A 97 7.452 -6.625 -6.861 1.00 41.23 H new ATOM 0 HB3 LYS A 97 8.372 -7.881 -6.056 1.00 41.23 H new ATOM 0 HG2 LYS A 97 6.303 -8.869 -5.160 1.00 44.24 H new ATOM 0 HG3 LYS A 97 5.353 -7.573 -5.858 1.00 44.24 H new ATOM 0 HD2 LYS A 97 5.959 -8.267 -8.123 1.00 30.40 H new ATOM 0 HD3 LYS A 97 7.085 -9.458 -7.504 1.00 30.40 H new ATOM 0 HE2 LYS A 97 4.925 -10.477 -8.221 1.00 71.34 H new ATOM 0 HE3 LYS A 97 5.274 -10.772 -6.529 1.00 71.34 H new ATOM 0 HZ1 LYS A 97 3.487 -9.625 -5.883 1.00 33.13 H new ATOM 0 HZ2 LYS A 97 3.753 -8.359 -6.983 1.00 33.13 H new ATOM 0 HZ3 LYS A 97 2.959 -9.771 -7.491 1.00 33.13 H new ATOM 1570 N TRP A 98 6.480 -7.349 -2.759 1.00 52.10 N ATOM 1571 CA TRP A 98 6.332 -8.258 -1.624 1.00 55.31 C ATOM 1572 C TRP A 98 6.179 -9.711 -2.098 1.00 34.31 C ATOM 1573 O TRP A 98 5.161 -10.086 -2.683 1.00 3.11 O ATOM 1574 CB TRP A 98 5.126 -7.853 -0.761 1.00 71.33 C ATOM 1575 CG TRP A 98 4.814 -8.826 0.346 1.00 41.31 C ATOM 1576 CD1 TRP A 98 5.708 -9.534 1.101 1.00 20.51 C ATOM 1577 CD2 TRP A 98 3.513 -9.194 0.820 1.00 32.21 C ATOM 1578 NE1 TRP A 98 5.043 -10.313 2.014 1.00 4.42 N ATOM 1579 CE2 TRP A 98 3.694 -10.122 1.863 1.00 42.23 C ATOM 1580 CE3 TRP A 98 2.212 -8.826 0.464 1.00 12.23 C ATOM 1581 CZ2 TRP A 98 2.624 -10.688 2.552 1.00 30.23 C ATOM 1582 CZ3 TRP A 98 1.151 -9.386 1.147 1.00 62.24 C ATOM 1583 CH2 TRP A 98 1.361 -10.309 2.182 1.00 34.55 C ATOM 0 H TRP A 98 5.660 -6.770 -2.942 1.00 52.10 H new ATOM 0 HA TRP A 98 7.236 -8.188 -1.019 1.00 55.31 H new ATOM 0 HB2 TRP A 98 5.316 -6.872 -0.326 1.00 71.33 H new ATOM 0 HB3 TRP A 98 4.250 -7.754 -1.402 1.00 71.33 H new ATOM 0 HD1 TRP A 98 6.782 -9.487 0.994 1.00 20.51 H new ATOM 0 HE1 TRP A 98 5.481 -10.934 2.695 1.00 4.42 H new ATOM 0 HE3 TRP A 98 2.040 -8.116 -0.331 1.00 12.23 H new ATOM 0 HZ2 TRP A 98 2.784 -11.399 3.349 1.00 30.23 H new ATOM 0 HZ3 TRP A 98 0.142 -9.109 0.880 1.00 62.24 H new ATOM 0 HH2 TRP A 98 0.510 -10.729 2.697 1.00 34.55 H new ATOM 1594 N GLN A 99 7.208 -10.515 -1.852 1.00 43.32 N ATOM 1595 CA GLN A 99 7.179 -11.943 -2.171 1.00 2.34 C ATOM 1596 C GLN A 99 7.093 -12.787 -0.886 1.00 24.15 C ATOM 1597 O GLN A 99 8.112 -13.079 -0.256 1.00 34.50 O ATOM 1598 CB GLN A 99 8.430 -12.324 -2.981 1.00 1.41 C ATOM 1599 CG GLN A 99 8.535 -11.619 -4.334 1.00 12.14 C ATOM 1600 CD GLN A 99 7.564 -12.162 -5.374 1.00 64.12 C ATOM 1601 OE1 GLN A 99 6.489 -12.663 -5.054 1.00 33.22 O ATOM 1602 NE2 GLN A 99 7.935 -12.056 -6.634 1.00 32.32 N ATOM 0 H GLN A 99 8.081 -10.201 -1.429 1.00 43.32 H new ATOM 0 HA GLN A 99 6.292 -12.148 -2.771 1.00 2.34 H new ATOM 0 HB2 GLN A 99 9.317 -12.090 -2.392 1.00 1.41 H new ATOM 0 HB3 GLN A 99 8.430 -13.402 -3.144 1.00 1.41 H new ATOM 0 HG2 GLN A 99 8.350 -10.554 -4.196 1.00 12.14 H new ATOM 0 HG3 GLN A 99 9.553 -11.720 -4.710 1.00 12.14 H new ATOM 0 HE21 GLN A 99 8.834 -11.635 -6.867 1.00 32.32 H new ATOM 0 HE22 GLN A 99 7.323 -12.395 -7.376 1.00 32.32 H new ATOM 1611 N PRO A 100 5.864 -13.158 -0.462 1.00 71.43 N ATOM 1612 CA PRO A 100 5.644 -13.975 0.749 1.00 1.41 C ATOM 1613 C PRO A 100 6.317 -15.354 0.669 1.00 34.03 C ATOM 1614 O PRO A 100 6.722 -15.912 1.688 1.00 63.24 O ATOM 1615 CB PRO A 100 4.111 -14.121 0.816 1.00 35.31 C ATOM 1616 CG PRO A 100 3.635 -13.821 -0.567 1.00 51.53 C ATOM 1617 CD PRO A 100 4.592 -12.798 -1.113 1.00 10.22 C ATOM 0 HA PRO A 100 6.079 -13.507 1.632 1.00 1.41 H new ATOM 0 HB2 PRO A 100 3.823 -15.126 1.123 1.00 35.31 H new ATOM 0 HB3 PRO A 100 3.680 -13.430 1.541 1.00 35.31 H new ATOM 0 HG2 PRO A 100 3.630 -14.720 -1.183 1.00 51.53 H new ATOM 0 HG3 PRO A 100 2.615 -13.436 -0.555 1.00 51.53 H new ATOM 0 HD2 PRO A 100 4.665 -12.852 -2.199 1.00 10.22 H new ATOM 0 HD3 PRO A 100 4.284 -11.783 -0.864 1.00 10.22 H new