USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 506 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 54 THR OG1 : rot -150:sc= -0.567 USER MOD Set 1.2: A 61 SER OG : rot 150:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 5:sc= 0.993 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot -34:sc= -1.02 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0988 X(o=-0.099,f=-0.23) USER MOD Single : A 49 SER OG : rot 57:sc= -0.351 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= -0.333 (180deg=-1.41!) USER MOD Single : A 71 HIS : no HD1:sc= -4.03! K(o=-4!,f=-1.5) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.683 K(o=-0.68,f=-3.9!) USER MOD Single : A 88 GLN : amide:sc= -2.87 K(o=-2.9,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.696 -0.884 0.504 1.00 0.00 N ATOM 2 CA MET A 23 -4.329 0.510 0.692 1.00 0.00 C ATOM 3 C MET A 23 -3.158 0.896 -0.213 1.00 0.00 C ATOM 4 O MET A 23 -2.032 0.449 -0.002 1.00 0.00 O ATOM 5 CB MET A 23 -3.943 0.744 2.154 1.00 0.00 C ATOM 6 CG MET A 23 -3.115 -0.423 2.696 1.00 0.00 C ATOM 7 SD MET A 23 -4.078 -1.361 3.871 1.00 0.00 S ATOM 8 CE MET A 23 -3.801 -3.012 3.251 1.00 0.00 C ATOM 0 HA MET A 23 -5.186 1.130 0.429 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.373 1.669 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.843 0.867 2.756 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.799 -1.067 1.876 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.210 -0.047 3.173 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.335 -3.729 3.874 1.00 0.00 H new ATOM 0 HE2 MET A 23 -4.164 -3.081 2.225 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.734 -3.235 3.274 1.00 0.00 H new ATOM 18 N SER A 24 -3.464 1.722 -1.203 1.00 0.00 N ATOM 19 CA SER A 24 -2.450 2.173 -2.141 1.00 0.00 C ATOM 20 C SER A 24 -2.098 3.637 -1.868 1.00 0.00 C ATOM 21 O SER A 24 -2.911 4.529 -2.107 1.00 0.00 O ATOM 22 CB SER A 24 -2.922 2.002 -3.587 1.00 0.00 C ATOM 23 OG SER A 24 -3.883 2.988 -3.955 1.00 0.00 O ATOM 0 H SER A 24 -4.399 2.090 -1.376 1.00 0.00 H new ATOM 0 HA SER A 24 -1.560 1.560 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.065 2.063 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.355 1.009 -3.712 1.00 0.00 H new ATOM 0 HG SER A 24 -3.987 3.632 -3.224 1.00 0.00 H new ATOM 29 N ILE A 25 -0.887 3.838 -1.371 1.00 0.00 N ATOM 30 CA ILE A 25 -0.418 5.178 -1.063 1.00 0.00 C ATOM 31 C ILE A 25 -0.429 6.024 -2.338 1.00 0.00 C ATOM 32 O ILE A 25 -0.129 5.524 -3.421 1.00 0.00 O ATOM 33 CB ILE A 25 0.947 5.123 -0.374 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.035 4.663 -1.347 1.00 0.00 C ATOM 35 CG2 ILE A 25 0.894 4.248 0.880 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.695 5.858 -2.036 1.00 0.00 C ATOM 0 H ILE A 25 -0.216 3.095 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.089 5.662 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 25 1.207 6.132 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.788 4.087 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.601 4.001 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.877 4.226 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.166 4.659 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.601 3.235 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.464 5.503 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.943 6.418 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.149 6.506 -1.286 1.00 0.00 H new ATOM 48 N GLU A 26 -0.778 7.291 -2.166 1.00 0.00 N ATOM 49 CA GLU A 26 -0.833 8.210 -3.290 1.00 0.00 C ATOM 50 C GLU A 26 0.145 9.368 -3.076 1.00 0.00 C ATOM 51 O GLU A 26 0.602 9.601 -1.958 1.00 0.00 O ATOM 52 CB GLU A 26 -2.256 8.728 -3.506 1.00 0.00 C ATOM 53 CG GLU A 26 -2.613 8.746 -4.994 1.00 0.00 C ATOM 54 CD GLU A 26 -2.374 7.376 -5.632 1.00 0.00 C ATOM 55 OE1 GLU A 26 -1.435 7.287 -6.452 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.137 6.448 -5.285 1.00 0.00 O ATOM 0 H GLU A 26 -1.025 7.702 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.538 7.671 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.962 8.097 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.347 9.733 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.658 9.031 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.014 9.499 -5.506 1.00 0.00 H new ATOM 63 N ILE A 27 0.437 10.062 -4.166 1.00 0.00 N ATOM 64 CA ILE A 27 1.352 11.190 -4.112 1.00 0.00 C ATOM 65 C ILE A 27 0.794 12.335 -4.960 1.00 0.00 C ATOM 66 O ILE A 27 0.121 12.099 -5.962 1.00 0.00 O ATOM 67 CB ILE A 27 2.762 10.755 -4.516 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.338 9.757 -3.510 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.675 11.968 -4.708 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.472 10.392 -2.124 1.00 0.00 C ATOM 0 H ILE A 27 0.056 9.865 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 27 1.439 11.562 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 27 2.700 10.243 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.693 8.880 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.314 9.412 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.671 11.632 -4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.269 12.609 -5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.736 12.529 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.884 9.662 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.137 11.254 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.491 10.714 -1.775 1.00 0.00 H new ATOM 82 N ASP A 28 1.095 13.550 -4.527 1.00 0.00 N ATOM 83 CA ASP A 28 0.632 14.732 -5.234 1.00 0.00 C ATOM 84 C ASP A 28 1.805 15.696 -5.430 1.00 0.00 C ATOM 85 O ASP A 28 2.053 16.556 -4.586 1.00 0.00 O ATOM 86 CB ASP A 28 -0.451 15.462 -4.437 1.00 0.00 C ATOM 87 CG ASP A 28 -1.823 15.518 -5.112 1.00 0.00 C ATOM 88 OD1 ASP A 28 -1.919 16.215 -6.145 1.00 0.00 O ATOM 89 OD2 ASP A 28 -2.745 14.863 -4.579 1.00 0.00 O ATOM 0 H ASP A 28 1.654 13.742 -3.695 1.00 0.00 H new ATOM 0 HA ASP A 28 0.221 14.413 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.559 14.974 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.115 16.481 -4.245 1.00 0.00 H new ATOM 94 N SER A 29 2.494 15.519 -6.547 1.00 0.00 N ATOM 95 CA SER A 29 3.634 16.362 -6.864 1.00 0.00 C ATOM 96 C SER A 29 3.156 17.755 -7.278 1.00 0.00 C ATOM 97 O SER A 29 3.842 18.747 -7.039 1.00 0.00 O ATOM 98 CB SER A 29 4.486 15.742 -7.974 1.00 0.00 C ATOM 99 OG SER A 29 3.735 15.523 -9.165 1.00 0.00 O ATOM 0 H SER A 29 2.285 14.804 -7.244 1.00 0.00 H new ATOM 0 HA SER A 29 4.254 16.448 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.329 16.397 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.900 14.795 -7.627 1.00 0.00 H new ATOM 0 HG SER A 29 4.315 15.128 -9.849 1.00 0.00 H new ATOM 105 N GLU A 30 1.982 17.785 -7.892 1.00 0.00 N ATOM 106 CA GLU A 30 1.404 19.040 -8.342 1.00 0.00 C ATOM 107 C GLU A 30 1.311 20.028 -7.178 1.00 0.00 C ATOM 108 O GLU A 30 1.744 21.173 -7.294 1.00 0.00 O ATOM 109 CB GLU A 30 0.033 18.814 -8.981 1.00 0.00 C ATOM 110 CG GLU A 30 0.165 18.549 -10.483 1.00 0.00 C ATOM 111 CD GLU A 30 -1.018 17.728 -11.000 1.00 0.00 C ATOM 112 OE1 GLU A 30 -0.883 16.486 -11.019 1.00 0.00 O ATOM 113 OE2 GLU A 30 -2.032 18.362 -11.366 1.00 0.00 O ATOM 0 H GLU A 30 1.415 16.960 -8.088 1.00 0.00 H new ATOM 0 HA GLU A 30 2.057 19.466 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.461 17.969 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.598 19.688 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.217 19.496 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.096 18.018 -10.682 1.00 0.00 H new ATOM 120 N GLN A 31 0.742 19.549 -6.081 1.00 0.00 N ATOM 121 CA GLN A 31 0.585 20.376 -4.897 1.00 0.00 C ATOM 122 C GLN A 31 1.739 20.130 -3.922 1.00 0.00 C ATOM 123 O GLN A 31 2.016 20.963 -3.060 1.00 0.00 O ATOM 124 CB GLN A 31 -0.765 20.121 -4.224 1.00 0.00 C ATOM 125 CG GLN A 31 -1.835 21.070 -4.766 1.00 0.00 C ATOM 126 CD GLN A 31 -2.832 21.455 -3.671 1.00 0.00 C ATOM 127 OE1 GLN A 31 -3.795 20.757 -3.398 1.00 0.00 O ATOM 128 NE2 GLN A 31 -2.548 22.602 -3.060 1.00 0.00 N ATOM 0 H GLN A 31 0.384 18.598 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 31 0.609 21.422 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.070 19.088 -4.393 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.669 20.253 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.362 21.968 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.363 20.595 -5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.726 23.138 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.153 22.946 -2.314 1.00 0.00 H new ATOM 137 N GLY A 32 2.381 18.984 -4.091 1.00 0.00 N ATOM 138 CA GLY A 32 3.498 18.618 -3.237 1.00 0.00 C ATOM 139 C GLY A 32 3.007 17.996 -1.929 1.00 0.00 C ATOM 140 O GLY A 32 3.609 18.199 -0.876 1.00 0.00 O ATOM 0 H GLY A 32 2.149 18.296 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.144 17.912 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.100 19.501 -3.021 1.00 0.00 H new ATOM 144 N VAL A 33 1.917 17.249 -2.038 1.00 0.00 N ATOM 145 CA VAL A 33 1.338 16.596 -0.876 1.00 0.00 C ATOM 146 C VAL A 33 1.207 15.097 -1.153 1.00 0.00 C ATOM 147 O VAL A 33 1.287 14.664 -2.302 1.00 0.00 O ATOM 148 CB VAL A 33 0.006 17.256 -0.514 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.885 16.295 0.274 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.232 18.556 0.261 1.00 0.00 C ATOM 0 H VAL A 33 1.420 17.082 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 33 1.988 16.711 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.509 17.505 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.825 16.789 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.086 15.409 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.379 16.001 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.730 19.005 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.777 18.342 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.810 19.248 -0.351 1.00 0.00 H new ATOM 160 N CYS A 34 1.008 14.345 -0.080 1.00 0.00 N ATOM 161 CA CYS A 34 0.865 12.903 -0.193 1.00 0.00 C ATOM 162 C CYS A 34 -0.455 12.499 0.466 1.00 0.00 C ATOM 163 O CYS A 34 -0.837 13.057 1.494 1.00 0.00 O ATOM 164 CB CYS A 34 2.058 12.167 0.420 1.00 0.00 C ATOM 165 SG CYS A 34 2.606 13.021 1.942 1.00 0.00 S ATOM 0 H CYS A 34 0.942 14.707 0.871 1.00 0.00 H new ATOM 0 HA CYS A 34 0.847 12.617 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.782 11.138 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.877 12.124 -0.298 1.00 0.00 H new ATOM 0 HG CYS A 34 2.425 14.302 1.810 1.00 0.00 H new ATOM 171 N SER A 35 -1.117 11.531 -0.152 1.00 0.00 N ATOM 172 CA SER A 35 -2.386 11.045 0.361 1.00 0.00 C ATOM 173 C SER A 35 -2.452 9.522 0.236 1.00 0.00 C ATOM 174 O SER A 35 -2.312 8.979 -0.858 1.00 0.00 O ATOM 175 CB SER A 35 -3.561 11.690 -0.376 1.00 0.00 C ATOM 176 OG SER A 35 -4.763 10.939 -0.225 1.00 0.00 O ATOM 0 H SER A 35 -0.797 11.070 -1.004 1.00 0.00 H new ATOM 0 HA SER A 35 -2.458 11.320 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.715 12.701 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.320 11.779 -1.435 1.00 0.00 H new ATOM 0 HG SER A 35 -5.490 11.384 -0.709 1.00 0.00 H new ATOM 182 N VAL A 36 -2.666 8.876 1.373 1.00 0.00 N ATOM 183 CA VAL A 36 -2.753 7.426 1.405 1.00 0.00 C ATOM 184 C VAL A 36 -4.224 7.006 1.370 1.00 0.00 C ATOM 185 O VAL A 36 -5.094 7.743 1.832 1.00 0.00 O ATOM 186 CB VAL A 36 -2.005 6.883 2.624 1.00 0.00 C ATOM 187 CG1 VAL A 36 -2.338 5.408 2.860 1.00 0.00 C ATOM 188 CG2 VAL A 36 -0.496 7.089 2.478 1.00 0.00 C ATOM 0 H VAL A 36 -2.782 9.330 2.279 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.271 6.996 0.527 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.336 7.444 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.793 5.047 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.409 5.300 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.049 4.825 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.012 6.694 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.142 6.566 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.282 8.153 2.382 1.00 0.00 H new ATOM 198 N GLU A 37 -4.457 5.824 0.818 1.00 0.00 N ATOM 199 CA GLU A 37 -5.808 5.298 0.717 1.00 0.00 C ATOM 200 C GLU A 37 -5.997 4.132 1.689 1.00 0.00 C ATOM 201 O GLU A 37 -5.165 3.227 1.749 1.00 0.00 O ATOM 202 CB GLU A 37 -6.125 4.873 -0.718 1.00 0.00 C ATOM 203 CG GLU A 37 -6.280 6.092 -1.629 1.00 0.00 C ATOM 204 CD GLU A 37 -5.633 5.843 -2.993 1.00 0.00 C ATOM 205 OE1 GLU A 37 -4.447 6.211 -3.134 1.00 0.00 O ATOM 206 OE2 GLU A 37 -6.339 5.290 -3.864 1.00 0.00 O ATOM 0 H GLU A 37 -3.733 5.216 0.436 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.507 6.089 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.329 4.231 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.042 4.285 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.338 6.320 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.822 6.962 -1.159 1.00 0.00 H new ATOM 213 N ILE A 38 -7.096 4.191 2.427 1.00 0.00 N ATOM 214 CA ILE A 38 -7.405 3.150 3.394 1.00 0.00 C ATOM 215 C ILE A 38 -8.922 3.049 3.560 1.00 0.00 C ATOM 216 O ILE A 38 -9.496 3.680 4.446 1.00 0.00 O ATOM 217 CB ILE A 38 -6.657 3.399 4.706 1.00 0.00 C ATOM 218 CG1 ILE A 38 -5.330 4.117 4.453 1.00 0.00 C ATOM 219 CG2 ILE A 38 -6.464 2.095 5.482 1.00 0.00 C ATOM 220 CD1 ILE A 38 -4.651 4.493 5.772 1.00 0.00 C ATOM 0 H ILE A 38 -7.783 4.943 2.375 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.058 2.181 3.035 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.265 4.057 5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.670 3.475 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.505 5.015 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.930 2.299 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.437 1.661 5.711 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.887 1.394 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.710 5.002 5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.304 5.155 6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.455 3.590 6.351 1.00 0.00 H new ATOM 232 N GLU A 39 -9.528 2.251 2.693 1.00 0.00 N ATOM 233 CA GLU A 39 -10.968 2.059 2.733 1.00 0.00 C ATOM 234 C GLU A 39 -11.674 3.389 3.005 1.00 0.00 C ATOM 235 O GLU A 39 -12.551 3.466 3.863 1.00 0.00 O ATOM 236 CB GLU A 39 -11.353 1.011 3.779 1.00 0.00 C ATOM 237 CG GLU A 39 -10.781 1.370 5.152 1.00 0.00 C ATOM 238 CD GLU A 39 -11.283 0.402 6.225 1.00 0.00 C ATOM 239 OE1 GLU A 39 -10.994 -0.806 6.080 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.944 0.891 7.166 1.00 0.00 O ATOM 0 H GLU A 39 -9.048 1.730 1.959 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.292 1.690 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.439 0.936 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.984 0.033 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.692 1.344 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.067 2.389 5.414 1.00 0.00 H new ATOM 247 N GLY A 40 -11.264 4.403 2.257 1.00 0.00 N ATOM 248 CA GLY A 40 -11.846 5.726 2.407 1.00 0.00 C ATOM 249 C GLY A 40 -10.979 6.608 3.308 1.00 0.00 C ATOM 250 O GLY A 40 -11.471 7.190 4.273 1.00 0.00 O ATOM 0 H GLY A 40 -10.536 4.335 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.952 6.193 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.847 5.641 2.830 1.00 0.00 H new ATOM 254 N SER A 41 -9.702 6.679 2.961 1.00 0.00 N ATOM 255 CA SER A 41 -8.762 7.480 3.726 1.00 0.00 C ATOM 256 C SER A 41 -8.525 8.820 3.026 1.00 0.00 C ATOM 257 O SER A 41 -8.132 8.855 1.861 1.00 0.00 O ATOM 258 CB SER A 41 -7.436 6.740 3.918 1.00 0.00 C ATOM 259 OG SER A 41 -6.553 7.443 4.788 1.00 0.00 O ATOM 0 H SER A 41 -9.297 6.195 2.160 1.00 0.00 H new ATOM 0 HA SER A 41 -9.191 7.663 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.630 5.747 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.955 6.600 2.950 1.00 0.00 H new ATOM 0 HG SER A 41 -5.719 6.938 4.886 1.00 0.00 H new ATOM 265 N ARG A 42 -8.773 9.890 3.767 1.00 0.00 N ATOM 266 CA ARG A 42 -8.592 11.229 3.232 1.00 0.00 C ATOM 267 C ARG A 42 -7.455 11.944 3.965 1.00 0.00 C ATOM 268 O ARG A 42 -7.598 13.099 4.362 1.00 0.00 O ATOM 269 CB ARG A 42 -9.874 12.054 3.366 1.00 0.00 C ATOM 270 CG ARG A 42 -10.310 12.612 2.010 1.00 0.00 C ATOM 271 CD ARG A 42 -11.823 12.837 1.971 1.00 0.00 C ATOM 272 NE ARG A 42 -12.240 13.240 0.609 1.00 0.00 N ATOM 273 CZ ARG A 42 -13.516 13.329 0.210 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.507 13.044 1.065 1.00 0.00 N ATOM 275 NH2 ARG A 42 -13.801 13.703 -1.045 1.00 0.00 N ATOM 0 H ARG A 42 -9.098 9.857 4.733 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.344 11.133 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.669 11.434 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.712 12.874 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.794 13.552 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.021 11.921 1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.342 11.925 2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.103 13.608 2.689 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.511 13.464 -0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.290 12.759 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.478 13.112 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.047 13.920 -1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.772 13.771 -1.349 1.00 0.00 H new ATOM 289 N HIS A 43 -6.352 11.227 4.123 1.00 0.00 N ATOM 290 CA HIS A 43 -5.192 11.778 4.802 1.00 0.00 C ATOM 291 C HIS A 43 -4.674 12.992 4.028 1.00 0.00 C ATOM 292 O HIS A 43 -5.233 13.359 2.995 1.00 0.00 O ATOM 293 CB HIS A 43 -4.121 10.704 5.006 1.00 0.00 C ATOM 294 CG HIS A 43 -4.061 10.158 6.413 1.00 0.00 C ATOM 295 ND1 HIS A 43 -5.183 10.013 7.210 1.00 0.00 N ATOM 296 CD2 HIS A 43 -3.002 9.723 7.155 1.00 0.00 C ATOM 297 CE1 HIS A 43 -4.805 9.513 8.377 1.00 0.00 C ATOM 298 NE2 HIS A 43 -3.453 9.334 8.341 1.00 0.00 N ATOM 0 H HIS A 43 -6.237 10.269 3.792 1.00 0.00 H new ATOM 0 HA HIS A 43 -5.476 12.119 5.798 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.309 9.882 4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.148 11.121 4.747 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.972 9.699 6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.453 9.287 9.211 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -2.883 8.962 9.101 1.00 0.00 H new ATOM 306 N ARG A 44 -3.611 13.581 4.556 1.00 0.00 N ATOM 307 CA ARG A 44 -3.011 14.746 3.928 1.00 0.00 C ATOM 308 C ARG A 44 -1.761 15.178 4.697 1.00 0.00 C ATOM 309 O ARG A 44 -1.830 15.463 5.891 1.00 0.00 O ATOM 310 CB ARG A 44 -3.999 15.913 3.876 1.00 0.00 C ATOM 311 CG ARG A 44 -4.122 16.465 2.454 1.00 0.00 C ATOM 312 CD ARG A 44 -5.439 17.222 2.272 1.00 0.00 C ATOM 313 NE ARG A 44 -5.816 17.244 0.841 1.00 0.00 N ATOM 314 CZ ARG A 44 -6.281 16.181 0.171 1.00 0.00 C ATOM 315 NH1 ARG A 44 -6.429 15.006 0.797 1.00 0.00 N ATOM 316 NH2 ARG A 44 -6.599 16.294 -1.126 1.00 0.00 N ATOM 0 H ARG A 44 -3.150 13.273 5.412 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.738 14.471 2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.976 15.582 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.669 16.704 4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.284 17.130 2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.067 15.647 1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.226 16.745 2.857 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.337 18.241 2.646 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.716 18.123 0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.188 14.920 1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.783 14.197 0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.487 17.189 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.953 15.485 -1.637 1.00 0.00 H new ATOM 330 N ALA A 45 -0.648 15.214 3.979 1.00 0.00 N ATOM 331 CA ALA A 45 0.617 15.607 4.579 1.00 0.00 C ATOM 332 C ALA A 45 1.628 15.910 3.472 1.00 0.00 C ATOM 333 O ALA A 45 1.427 15.529 2.320 1.00 0.00 O ATOM 334 CB ALA A 45 1.099 14.503 5.523 1.00 0.00 C ATOM 0 H ALA A 45 -0.595 14.978 2.988 1.00 0.00 H new ATOM 0 HA ALA A 45 0.496 16.513 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.047 14.797 5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.359 14.346 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.235 13.578 4.962 1.00 0.00 H new ATOM 340 N PRO A 46 2.723 16.612 3.871 1.00 0.00 N ATOM 341 CA PRO A 46 3.766 16.972 2.926 1.00 0.00 C ATOM 342 C PRO A 46 4.630 15.758 2.575 1.00 0.00 C ATOM 343 O PRO A 46 4.890 14.910 3.426 1.00 0.00 O ATOM 344 CB PRO A 46 4.550 18.081 3.608 1.00 0.00 C ATOM 345 CG PRO A 46 4.210 17.982 5.087 1.00 0.00 C ATOM 346 CD PRO A 46 2.995 17.081 5.226 1.00 0.00 C ATOM 0 HA PRO A 46 3.368 17.314 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.621 17.960 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.275 19.057 3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.053 17.575 5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.002 18.970 5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.195 16.248 5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.144 17.625 5.635 1.00 0.00 H new ATOM 354 N VAL A 47 5.050 15.715 1.319 1.00 0.00 N ATOM 355 CA VAL A 47 5.879 14.620 0.845 1.00 0.00 C ATOM 356 C VAL A 47 7.242 14.681 1.536 1.00 0.00 C ATOM 357 O VAL A 47 7.904 13.658 1.704 1.00 0.00 O ATOM 358 CB VAL A 47 5.980 14.663 -0.681 1.00 0.00 C ATOM 359 CG1 VAL A 47 7.126 13.780 -1.180 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.655 14.259 -1.330 1.00 0.00 C ATOM 0 H VAL A 47 4.832 16.421 0.615 1.00 0.00 H new ATOM 0 HA VAL A 47 5.428 13.661 1.101 1.00 0.00 H new ATOM 0 HB VAL A 47 6.197 15.691 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.176 13.829 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.067 14.132 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.953 12.749 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.754 14.298 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.395 13.245 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.870 14.946 -1.013 1.00 0.00 H new ATOM 370 N ASP A 48 7.622 15.891 1.919 1.00 0.00 N ATOM 371 CA ASP A 48 8.895 16.099 2.588 1.00 0.00 C ATOM 372 C ASP A 48 8.791 15.611 4.035 1.00 0.00 C ATOM 373 O ASP A 48 9.773 15.641 4.775 1.00 0.00 O ATOM 374 CB ASP A 48 9.267 17.583 2.616 1.00 0.00 C ATOM 375 CG ASP A 48 8.304 18.477 3.400 1.00 0.00 C ATOM 376 OD1 ASP A 48 8.116 19.632 2.961 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.779 17.985 4.422 1.00 0.00 O ATOM 0 H ASP A 48 7.071 16.738 1.779 1.00 0.00 H new ATOM 0 HA ASP A 48 9.658 15.546 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.264 17.684 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.323 17.947 1.590 1.00 0.00 H new ATOM 382 N SER A 49 7.593 15.174 4.394 1.00 0.00 N ATOM 383 CA SER A 49 7.349 14.680 5.738 1.00 0.00 C ATOM 384 C SER A 49 6.991 13.193 5.693 1.00 0.00 C ATOM 385 O SER A 49 6.176 12.723 6.485 1.00 0.00 O ATOM 386 CB SER A 49 6.233 15.474 6.422 1.00 0.00 C ATOM 387 OG SER A 49 6.686 16.746 6.879 1.00 0.00 O ATOM 0 H SER A 49 6.781 15.152 3.777 1.00 0.00 H new ATOM 0 HA SER A 49 8.261 14.810 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.407 15.612 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.846 14.902 7.266 1.00 0.00 H new ATOM 0 HG SER A 49 7.059 17.250 6.126 1.00 0.00 H new ATOM 393 N LEU A 50 7.618 12.495 4.757 1.00 0.00 N ATOM 394 CA LEU A 50 7.376 11.071 4.598 1.00 0.00 C ATOM 395 C LEU A 50 8.558 10.290 5.174 1.00 0.00 C ATOM 396 O LEU A 50 9.574 10.877 5.542 1.00 0.00 O ATOM 397 CB LEU A 50 7.073 10.740 3.135 1.00 0.00 C ATOM 398 CG LEU A 50 5.715 11.208 2.608 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.605 10.984 1.099 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.570 10.539 3.372 1.00 0.00 C ATOM 0 H LEU A 50 8.293 12.889 4.101 1.00 0.00 H new ATOM 0 HA LEU A 50 6.491 10.769 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.853 11.181 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.137 9.659 3.007 1.00 0.00 H new ATOM 0 HG LEU A 50 5.634 12.281 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.630 11.325 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.389 11.545 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.717 9.922 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.616 10.889 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.637 9.457 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.641 10.793 4.430 1.00 0.00 H new ATOM 412 N ARG A 51 8.387 8.978 5.233 1.00 0.00 N ATOM 413 CA ARG A 51 9.427 8.110 5.757 1.00 0.00 C ATOM 414 C ARG A 51 9.195 6.667 5.303 1.00 0.00 C ATOM 415 O ARG A 51 8.099 6.131 5.463 1.00 0.00 O ATOM 416 CB ARG A 51 9.464 8.156 7.286 1.00 0.00 C ATOM 417 CG ARG A 51 10.609 9.043 7.780 1.00 0.00 C ATOM 418 CD ARG A 51 11.852 8.209 8.095 1.00 0.00 C ATOM 419 NE ARG A 51 11.653 7.459 9.355 1.00 0.00 N ATOM 420 CZ ARG A 51 12.651 6.981 10.112 1.00 0.00 C ATOM 421 NH1 ARG A 51 13.924 7.173 9.740 1.00 0.00 N ATOM 422 NH2 ARG A 51 12.376 6.312 11.240 1.00 0.00 N ATOM 0 H ARG A 51 7.543 8.495 4.926 1.00 0.00 H new ATOM 0 HA ARG A 51 10.382 8.467 5.370 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.515 8.536 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.584 7.147 7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.849 9.788 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.295 9.585 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.052 7.516 7.278 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.723 8.858 8.183 1.00 0.00 H new ATOM 0 HE ARG A 51 10.696 7.295 9.667 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.133 7.683 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.684 6.810 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.407 6.166 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.136 5.949 11.815 1.00 0.00 H new ATOM 436 N ILE A 52 10.243 6.080 4.745 1.00 0.00 N ATOM 437 CA ILE A 52 10.167 4.710 4.267 1.00 0.00 C ATOM 438 C ILE A 52 11.001 3.808 5.179 1.00 0.00 C ATOM 439 O ILE A 52 12.076 4.200 5.630 1.00 0.00 O ATOM 440 CB ILE A 52 10.569 4.634 2.793 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.624 5.466 1.923 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.653 3.181 2.321 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.572 4.921 0.494 1.00 0.00 C ATOM 0 H ILE A 52 11.150 6.528 4.613 1.00 0.00 H new ATOM 0 HA ILE A 52 9.140 4.347 4.313 1.00 0.00 H new ATOM 0 HB ILE A 52 11.565 5.064 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.624 5.458 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.957 6.504 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.941 3.156 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.397 2.648 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.681 2.702 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.893 5.530 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.570 4.953 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.216 3.891 0.510 1.00 0.00 H new ATOM 455 N GLY A 53 10.473 2.618 5.424 1.00 0.00 N ATOM 456 CA GLY A 53 11.155 1.657 6.274 1.00 0.00 C ATOM 457 C GLY A 53 10.884 0.225 5.811 1.00 0.00 C ATOM 458 O GLY A 53 10.098 0.005 4.891 1.00 0.00 O ATOM 0 H GLY A 53 9.580 2.297 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.228 1.851 6.260 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.823 1.778 7.305 1.00 0.00 H new ATOM 462 N THR A 54 11.548 -0.713 6.471 1.00 0.00 N ATOM 463 CA THR A 54 11.388 -2.118 6.138 1.00 0.00 C ATOM 464 C THR A 54 11.331 -2.964 7.411 1.00 0.00 C ATOM 465 O THR A 54 12.026 -2.676 8.384 1.00 0.00 O ATOM 466 CB THR A 54 12.528 -2.514 5.197 1.00 0.00 C ATOM 467 OG1 THR A 54 12.206 -1.864 3.970 1.00 0.00 O ATOM 468 CG2 THR A 54 12.507 -4.003 4.847 1.00 0.00 C ATOM 0 H THR A 54 12.198 -0.527 7.235 1.00 0.00 H new ATOM 0 HA THR A 54 10.444 -2.297 5.623 1.00 0.00 H new ATOM 0 HB THR A 54 13.483 -2.263 5.658 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.554 -2.390 3.220 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.336 -4.231 4.177 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.604 -4.592 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.566 -4.248 4.355 1.00 0.00 H new ATOM 476 N ASP A 55 10.495 -3.991 7.364 1.00 0.00 N ATOM 477 CA ASP A 55 10.337 -4.881 8.502 1.00 0.00 C ATOM 478 C ASP A 55 11.001 -6.223 8.190 1.00 0.00 C ATOM 479 O ASP A 55 10.577 -6.933 7.279 1.00 0.00 O ATOM 480 CB ASP A 55 8.858 -5.142 8.796 1.00 0.00 C ATOM 481 CG ASP A 55 8.406 -4.774 10.211 1.00 0.00 C ATOM 482 OD1 ASP A 55 7.215 -5.014 10.506 1.00 0.00 O ATOM 483 OD2 ASP A 55 9.261 -4.262 10.965 1.00 0.00 O ATOM 0 H ASP A 55 9.920 -4.227 6.555 1.00 0.00 H new ATOM 0 HA ASP A 55 10.798 -4.406 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.256 -4.581 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.650 -6.199 8.628 1.00 0.00 H new ATOM 488 N ALA A 56 12.031 -6.531 8.963 1.00 0.00 N ATOM 489 CA ALA A 56 12.758 -7.776 8.781 1.00 0.00 C ATOM 490 C ALA A 56 11.874 -8.947 9.215 1.00 0.00 C ATOM 491 O ALA A 56 12.228 -10.107 9.011 1.00 0.00 O ATOM 492 CB ALA A 56 14.073 -7.719 9.560 1.00 0.00 C ATOM 0 H ALA A 56 12.380 -5.940 9.717 1.00 0.00 H new ATOM 0 HA ALA A 56 13.008 -7.923 7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.618 -8.653 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.677 -6.889 9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.862 -7.574 10.620 1.00 0.00 H new ATOM 498 N GLU A 57 10.739 -8.602 9.806 1.00 0.00 N ATOM 499 CA GLU A 57 9.801 -9.610 10.270 1.00 0.00 C ATOM 500 C GLU A 57 9.373 -10.511 9.111 1.00 0.00 C ATOM 501 O GLU A 57 9.293 -11.729 9.263 1.00 0.00 O ATOM 502 CB GLU A 57 8.587 -8.962 10.939 1.00 0.00 C ATOM 503 CG GLU A 57 8.404 -9.482 12.366 1.00 0.00 C ATOM 504 CD GLU A 57 6.931 -9.442 12.779 1.00 0.00 C ATOM 505 OE1 GLU A 57 6.651 -8.810 13.821 1.00 0.00 O ATOM 506 OE2 GLU A 57 6.119 -10.045 12.045 1.00 0.00 O ATOM 0 H GLU A 57 10.448 -7.639 9.974 1.00 0.00 H new ATOM 0 HA GLU A 57 10.300 -10.227 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.712 -7.879 10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.691 -9.171 10.355 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.777 -10.504 12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.995 -8.879 13.055 1.00 0.00 H new ATOM 513 N ALA A 58 9.108 -9.878 7.977 1.00 0.00 N ATOM 514 CA ALA A 58 8.689 -10.607 6.793 1.00 0.00 C ATOM 515 C ALA A 58 9.468 -10.092 5.580 1.00 0.00 C ATOM 516 O ALA A 58 9.116 -10.389 4.440 1.00 0.00 O ATOM 517 CB ALA A 58 7.176 -10.468 6.615 1.00 0.00 C ATOM 0 H ALA A 58 9.176 -8.868 7.854 1.00 0.00 H new ATOM 0 HA ALA A 58 8.908 -11.669 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.862 -11.015 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.668 -10.874 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.918 -9.415 6.502 1.00 0.00 H new ATOM 523 N ARG A 59 10.512 -9.330 5.869 1.00 0.00 N ATOM 524 CA ARG A 59 11.344 -8.771 4.817 1.00 0.00 C ATOM 525 C ARG A 59 10.491 -7.958 3.841 1.00 0.00 C ATOM 526 O ARG A 59 10.636 -8.088 2.626 1.00 0.00 O ATOM 527 CB ARG A 59 12.075 -9.873 4.048 1.00 0.00 C ATOM 528 CG ARG A 59 13.279 -9.309 3.292 1.00 0.00 C ATOM 529 CD ARG A 59 13.984 -10.403 2.487 1.00 0.00 C ATOM 530 NE ARG A 59 15.327 -9.940 2.071 1.00 0.00 N ATOM 531 CZ ARG A 59 16.160 -10.650 1.298 1.00 0.00 C ATOM 532 NH1 ARG A 59 15.794 -11.860 0.853 1.00 0.00 N ATOM 533 NH2 ARG A 59 17.359 -10.151 0.971 1.00 0.00 N ATOM 0 H ARG A 59 10.801 -9.086 6.816 1.00 0.00 H new ATOM 0 HA ARG A 59 12.082 -8.122 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.406 -10.646 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.390 -10.347 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.952 -8.514 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.980 -8.863 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.072 -11.308 3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.391 -10.660 1.609 1.00 0.00 H new ATOM 0 HE ARG A 59 15.638 -9.023 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.881 -12.241 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.428 -12.400 0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.638 -9.231 1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.993 -10.691 0.383 1.00 0.00 H new ATOM 547 N LEU A 60 9.619 -7.138 4.408 1.00 0.00 N ATOM 548 CA LEU A 60 8.742 -6.304 3.604 1.00 0.00 C ATOM 549 C LEU A 60 9.025 -4.832 3.907 1.00 0.00 C ATOM 550 O LEU A 60 9.649 -4.511 4.918 1.00 0.00 O ATOM 551 CB LEU A 60 7.280 -6.705 3.814 1.00 0.00 C ATOM 552 CG LEU A 60 6.729 -6.515 5.228 1.00 0.00 C ATOM 553 CD1 LEU A 60 7.372 -7.503 6.204 1.00 0.00 C ATOM 554 CD2 LEU A 60 6.891 -5.065 5.690 1.00 0.00 C ATOM 0 H LEU A 60 9.501 -7.033 5.416 1.00 0.00 H new ATOM 0 HA LEU A 60 8.941 -6.455 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.663 -6.128 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.169 -7.754 3.540 1.00 0.00 H new ATOM 0 HG LEU A 60 5.660 -6.729 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.963 -7.347 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.162 -8.523 5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.450 -7.344 6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.491 -4.958 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.948 -4.799 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.349 -4.405 5.013 1.00 0.00 H new ATOM 566 N SER A 61 8.553 -3.975 3.014 1.00 0.00 N ATOM 567 CA SER A 61 8.748 -2.544 3.173 1.00 0.00 C ATOM 568 C SER A 61 7.526 -1.921 3.851 1.00 0.00 C ATOM 569 O SER A 61 6.410 -2.418 3.703 1.00 0.00 O ATOM 570 CB SER A 61 9.008 -1.870 1.824 1.00 0.00 C ATOM 571 OG SER A 61 10.046 -2.518 1.095 1.00 0.00 O ATOM 0 H SER A 61 8.036 -4.244 2.177 1.00 0.00 H new ATOM 0 HA SER A 61 9.624 -2.386 3.802 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.092 -1.876 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.276 -0.826 1.986 1.00 0.00 H new ATOM 0 HG SER A 61 9.882 -2.418 0.134 1.00 0.00 H new ATOM 577 N VAL A 62 7.777 -0.843 4.579 1.00 0.00 N ATOM 578 CA VAL A 62 6.711 -0.148 5.279 1.00 0.00 C ATOM 579 C VAL A 62 6.801 1.349 4.979 1.00 0.00 C ATOM 580 O VAL A 62 7.771 1.808 4.378 1.00 0.00 O ATOM 581 CB VAL A 62 6.776 -0.462 6.775 1.00 0.00 C ATOM 582 CG1 VAL A 62 6.174 -1.837 7.073 1.00 0.00 C ATOM 583 CG2 VAL A 62 8.213 -0.368 7.293 1.00 0.00 C ATOM 0 H VAL A 62 8.704 -0.434 4.699 1.00 0.00 H new ATOM 0 HA VAL A 62 5.737 -0.492 4.930 1.00 0.00 H new ATOM 0 HB VAL A 62 6.181 0.285 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.233 -2.036 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.131 -1.854 6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.729 -2.602 6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.231 -0.596 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.840 -1.082 6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.593 0.641 7.131 1.00 0.00 H new ATOM 593 N LEU A 63 5.776 2.070 5.410 1.00 0.00 N ATOM 594 CA LEU A 63 5.727 3.506 5.194 1.00 0.00 C ATOM 595 C LEU A 63 5.290 4.197 6.488 1.00 0.00 C ATOM 596 O LEU A 63 4.457 3.672 7.225 1.00 0.00 O ATOM 597 CB LEU A 63 4.842 3.837 3.991 1.00 0.00 C ATOM 598 CG LEU A 63 4.254 5.249 3.959 1.00 0.00 C ATOM 599 CD1 LEU A 63 3.205 5.431 5.057 1.00 0.00 C ATOM 600 CD2 LEU A 63 5.359 6.305 4.041 1.00 0.00 C ATOM 0 H LEU A 63 4.973 1.686 5.908 1.00 0.00 H new ATOM 0 HA LEU A 63 6.717 3.888 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.426 3.688 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.020 3.122 3.962 1.00 0.00 H new ATOM 0 HG LEU A 63 3.747 5.386 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.803 6.443 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.398 4.713 4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.666 5.267 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.914 7.300 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.915 6.179 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.036 6.189 3.195 1.00 0.00 H new ATOM 612 N TYR A 64 5.871 5.364 6.723 1.00 0.00 N ATOM 613 CA TYR A 64 5.552 6.132 7.915 1.00 0.00 C ATOM 614 C TYR A 64 4.962 7.494 7.547 1.00 0.00 C ATOM 615 O TYR A 64 5.494 8.193 6.686 1.00 0.00 O ATOM 616 CB TYR A 64 6.878 6.345 8.647 1.00 0.00 C ATOM 617 CG TYR A 64 7.477 5.065 9.235 1.00 0.00 C ATOM 618 CD1 TYR A 64 8.100 4.152 8.409 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.394 4.825 10.591 1.00 0.00 C ATOM 620 CE1 TYR A 64 8.663 2.947 8.963 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.957 3.621 11.145 1.00 0.00 C ATOM 622 CZ TYR A 64 8.564 2.741 10.303 1.00 0.00 C ATOM 623 OH TYR A 64 9.096 1.604 10.826 1.00 0.00 O ATOM 0 H TYR A 64 6.561 5.797 6.109 1.00 0.00 H new ATOM 0 HA TYR A 64 4.818 5.606 8.525 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.596 6.786 7.956 1.00 0.00 H new ATOM 0 HB3 TYR A 64 6.726 7.065 9.451 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.166 4.341 7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.907 5.540 11.237 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.153 2.224 8.328 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.899 3.421 12.205 1.00 0.00 H new ATOM 0 HH TYR A 64 8.952 1.591 11.795 1.00 0.00 H new ATOM 633 N ILE A 65 3.870 7.831 8.217 1.00 0.00 N ATOM 634 CA ILE A 65 3.202 9.098 7.971 1.00 0.00 C ATOM 635 C ILE A 65 2.390 9.490 9.208 1.00 0.00 C ATOM 636 O ILE A 65 1.309 8.952 9.441 1.00 0.00 O ATOM 637 CB ILE A 65 2.372 9.026 6.688 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.685 10.363 6.403 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.372 7.869 6.746 1.00 0.00 C ATOM 640 CD1 ILE A 65 1.012 10.352 5.030 1.00 0.00 C ATOM 0 H ILE A 65 3.431 7.249 8.930 1.00 0.00 H new ATOM 0 HA ILE A 65 3.934 9.889 7.806 1.00 0.00 H new ATOM 0 HB ILE A 65 3.047 8.827 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.942 10.566 7.174 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.418 11.169 6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.795 7.840 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.910 6.929 6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.698 8.013 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.531 11.314 4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.761 10.173 4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.263 9.561 4.998 1.00 0.00 H new ATOM 652 N ASP A 66 2.943 10.424 9.968 1.00 0.00 N ATOM 653 CA ASP A 66 2.284 10.894 11.174 1.00 0.00 C ATOM 654 C ASP A 66 2.577 9.925 12.321 1.00 0.00 C ATOM 655 O ASP A 66 1.713 9.666 13.157 1.00 0.00 O ATOM 656 CB ASP A 66 0.767 10.956 10.985 1.00 0.00 C ATOM 657 CG ASP A 66 0.062 12.065 11.768 1.00 0.00 C ATOM 658 OD1 ASP A 66 0.702 13.123 11.954 1.00 0.00 O ATOM 659 OD2 ASP A 66 -1.100 11.830 12.163 1.00 0.00 O ATOM 0 H ASP A 66 3.840 10.868 9.772 1.00 0.00 H new ATOM 0 HA ASP A 66 2.661 11.892 11.396 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.553 11.089 9.924 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.340 9.997 11.279 1.00 0.00 H new ATOM 664 N GLY A 67 3.800 9.415 12.324 1.00 0.00 N ATOM 665 CA GLY A 67 4.219 8.480 13.355 1.00 0.00 C ATOM 666 C GLY A 67 3.377 7.203 13.311 1.00 0.00 C ATOM 667 O GLY A 67 3.004 6.665 14.353 1.00 0.00 O ATOM 0 H GLY A 67 4.514 9.632 11.629 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.271 8.231 13.219 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.126 8.948 14.335 1.00 0.00 H new ATOM 671 N LYS A 68 3.103 6.754 12.095 1.00 0.00 N ATOM 672 CA LYS A 68 2.312 5.551 11.902 1.00 0.00 C ATOM 673 C LYS A 68 3.190 4.464 11.278 1.00 0.00 C ATOM 674 O LYS A 68 4.334 4.722 10.907 1.00 0.00 O ATOM 675 CB LYS A 68 1.051 5.862 11.094 1.00 0.00 C ATOM 676 CG LYS A 68 1.341 5.835 9.592 1.00 0.00 C ATOM 677 CD LYS A 68 0.567 4.709 8.904 1.00 0.00 C ATOM 678 CE LYS A 68 -0.933 5.011 8.879 1.00 0.00 C ATOM 679 NZ LYS A 68 -1.638 4.223 9.915 1.00 0.00 N ATOM 0 H LYS A 68 3.415 7.202 11.233 1.00 0.00 H new ATOM 0 HA LYS A 68 1.961 5.168 12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.274 5.135 11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.667 6.842 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.068 6.792 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.410 5.700 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.933 4.581 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.744 3.769 9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.099 6.075 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.341 4.777 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.558 3.908 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.065 3.394 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.788 4.813 10.758 1.00 0.00 H new ATOM 693 N ARG A 69 2.620 3.272 11.180 1.00 0.00 N ATOM 694 CA ARG A 69 3.336 2.145 10.607 1.00 0.00 C ATOM 695 C ARG A 69 2.358 1.182 9.932 1.00 0.00 C ATOM 696 O ARG A 69 1.540 0.551 10.600 1.00 0.00 O ATOM 697 CB ARG A 69 4.125 1.390 11.680 1.00 0.00 C ATOM 698 CG ARG A 69 5.173 0.473 11.047 1.00 0.00 C ATOM 699 CD ARG A 69 4.574 -0.895 10.713 1.00 0.00 C ATOM 700 NE ARG A 69 5.116 -1.922 11.630 1.00 0.00 N ATOM 701 CZ ARG A 69 6.419 -2.214 11.745 1.00 0.00 C ATOM 702 NH1 ARG A 69 7.321 -1.559 11.001 1.00 0.00 N ATOM 703 NH2 ARG A 69 6.820 -3.162 12.603 1.00 0.00 N ATOM 0 H ARG A 69 1.670 3.062 11.488 1.00 0.00 H new ATOM 0 HA ARG A 69 4.034 2.538 9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.614 2.102 12.345 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.442 0.800 12.291 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.565 0.934 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.013 0.349 11.730 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.488 -0.856 10.798 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.804 -1.160 9.681 1.00 0.00 H new ATOM 0 HE ARG A 69 4.457 -2.440 12.211 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.016 -0.838 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.313 -1.781 11.089 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.134 -3.661 13.169 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.812 -3.384 12.690 1.00 0.00 H new ATOM 717 N LEU A 70 2.474 1.099 8.614 1.00 0.00 N ATOM 718 CA LEU A 70 1.609 0.224 7.841 1.00 0.00 C ATOM 719 C LEU A 70 2.400 -0.359 6.667 1.00 0.00 C ATOM 720 O LEU A 70 3.529 0.055 6.408 1.00 0.00 O ATOM 721 CB LEU A 70 0.338 0.963 7.419 1.00 0.00 C ATOM 722 CG LEU A 70 0.312 1.488 5.982 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.525 0.579 5.081 1.00 0.00 C ATOM 724 CD2 LEU A 70 -0.169 2.940 5.938 1.00 0.00 C ATOM 0 H LEU A 70 3.154 1.623 8.063 1.00 0.00 H new ATOM 0 HA LEU A 70 1.274 -0.616 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.510 0.292 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.190 1.805 8.095 1.00 0.00 H new ATOM 0 HG LEU A 70 1.331 1.474 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.527 0.975 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.098 -0.424 5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.548 0.537 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.178 3.289 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.176 3.002 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.504 3.564 6.526 1.00 0.00 H new ATOM 736 N HIS A 71 1.775 -1.310 5.989 1.00 0.00 N ATOM 737 CA HIS A 71 2.406 -1.954 4.849 1.00 0.00 C ATOM 738 C HIS A 71 1.796 -1.415 3.553 1.00 0.00 C ATOM 739 O HIS A 71 0.582 -1.474 3.362 1.00 0.00 O ATOM 740 CB HIS A 71 2.308 -3.476 4.962 1.00 0.00 C ATOM 741 CG HIS A 71 2.975 -4.045 6.192 1.00 0.00 C ATOM 742 ND1 HIS A 71 3.156 -5.403 6.386 1.00 0.00 N ATOM 743 CD2 HIS A 71 3.505 -3.426 7.286 1.00 0.00 C ATOM 744 CE1 HIS A 71 3.766 -5.582 7.549 1.00 0.00 C ATOM 745 NE2 HIS A 71 3.981 -4.355 8.105 1.00 0.00 N ATOM 0 H HIS A 71 0.838 -1.650 6.207 1.00 0.00 H new ATOM 0 HA HIS A 71 3.470 -1.717 4.835 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.256 -3.763 4.966 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.758 -3.925 4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.532 -2.360 7.457 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.044 -6.532 7.981 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.433 -4.180 9.002 1.00 0.00 H new ATOM 753 N ILE A 72 2.667 -0.902 2.696 1.00 0.00 N ATOM 754 CA ILE A 72 2.229 -0.353 1.424 1.00 0.00 C ATOM 755 C ILE A 72 2.804 -1.197 0.285 1.00 0.00 C ATOM 756 O ILE A 72 3.648 -2.062 0.513 1.00 0.00 O ATOM 757 CB ILE A 72 2.586 1.132 1.330 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.102 1.327 1.248 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.969 1.919 2.487 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.447 2.652 0.565 1.00 0.00 C ATOM 0 H ILE A 72 3.673 -0.855 2.858 1.00 0.00 H new ATOM 0 HA ILE A 72 1.143 -0.402 1.341 1.00 0.00 H new ATOM 0 HB ILE A 72 2.160 1.528 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.530 1.308 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.549 0.501 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.238 2.971 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.884 1.818 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.344 1.529 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.530 2.767 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.039 2.658 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.019 3.477 1.134 1.00 0.00 H new ATOM 772 N SER A 73 2.323 -0.917 -0.918 1.00 0.00 N ATOM 773 CA SER A 73 2.779 -1.640 -2.093 1.00 0.00 C ATOM 774 C SER A 73 4.262 -1.357 -2.339 1.00 0.00 C ATOM 775 O SER A 73 4.739 -0.254 -2.075 1.00 0.00 O ATOM 776 CB SER A 73 1.955 -1.262 -3.325 1.00 0.00 C ATOM 777 OG SER A 73 1.274 -2.386 -3.877 1.00 0.00 O ATOM 0 H SER A 73 1.622 -0.200 -1.104 1.00 0.00 H new ATOM 0 HA SER A 73 2.645 -2.706 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.229 -0.495 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.610 -0.828 -4.080 1.00 0.00 H new ATOM 0 HG SER A 73 0.758 -2.103 -4.661 1.00 0.00 H new ATOM 783 N GLU A 74 4.950 -2.372 -2.842 1.00 0.00 N ATOM 784 CA GLU A 74 6.369 -2.246 -3.126 1.00 0.00 C ATOM 785 C GLU A 74 6.617 -1.077 -4.083 1.00 0.00 C ATOM 786 O GLU A 74 7.373 -0.160 -3.765 1.00 0.00 O ATOM 787 CB GLU A 74 6.932 -3.549 -3.696 1.00 0.00 C ATOM 788 CG GLU A 74 7.737 -4.307 -2.639 1.00 0.00 C ATOM 789 CD GLU A 74 8.788 -5.208 -3.292 1.00 0.00 C ATOM 790 OE1 GLU A 74 8.753 -6.423 -3.002 1.00 0.00 O ATOM 791 OE2 GLU A 74 9.603 -4.660 -4.066 1.00 0.00 O ATOM 0 H GLU A 74 4.551 -3.285 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 74 6.890 -2.042 -2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.116 -4.176 -4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.567 -3.330 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.225 -3.598 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.065 -4.910 -2.028 1.00 0.00 H new ATOM 798 N GLU A 75 5.966 -1.148 -5.234 1.00 0.00 N ATOM 799 CA GLU A 75 6.107 -0.108 -6.239 1.00 0.00 C ATOM 800 C GLU A 75 5.681 1.245 -5.665 1.00 0.00 C ATOM 801 O GLU A 75 6.287 2.271 -5.971 1.00 0.00 O ATOM 802 CB GLU A 75 5.303 -0.447 -7.496 1.00 0.00 C ATOM 803 CG GLU A 75 5.549 0.584 -8.599 1.00 0.00 C ATOM 804 CD GLU A 75 6.362 -0.023 -9.745 1.00 0.00 C ATOM 805 OE1 GLU A 75 7.114 0.749 -10.378 1.00 0.00 O ATOM 806 OE2 GLU A 75 6.213 -1.245 -9.961 1.00 0.00 O ATOM 0 H GLU A 75 5.339 -1.910 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 75 7.157 -0.046 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.580 -1.439 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.241 -0.480 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.595 0.950 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.079 1.443 -8.187 1.00 0.00 H new ATOM 813 N ASP A 76 4.644 1.203 -4.842 1.00 0.00 N ATOM 814 CA ASP A 76 4.131 2.413 -4.222 1.00 0.00 C ATOM 815 C ASP A 76 5.154 2.937 -3.213 1.00 0.00 C ATOM 816 O ASP A 76 5.256 4.144 -2.997 1.00 0.00 O ATOM 817 CB ASP A 76 2.826 2.137 -3.473 1.00 0.00 C ATOM 818 CG ASP A 76 1.570 2.722 -4.123 1.00 0.00 C ATOM 819 OD1 ASP A 76 1.725 3.719 -4.861 1.00 0.00 O ATOM 820 OD2 ASP A 76 0.484 2.159 -3.868 1.00 0.00 O ATOM 0 H ASP A 76 4.145 0.350 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 76 3.947 3.144 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.700 1.058 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.913 2.536 -2.463 1.00 0.00 H new ATOM 825 N ALA A 77 5.886 2.004 -2.622 1.00 0.00 N ATOM 826 CA ALA A 77 6.897 2.357 -1.640 1.00 0.00 C ATOM 827 C ALA A 77 8.057 3.066 -2.342 1.00 0.00 C ATOM 828 O ALA A 77 8.723 3.912 -1.747 1.00 0.00 O ATOM 829 CB ALA A 77 7.348 1.098 -0.897 1.00 0.00 C ATOM 0 H ALA A 77 5.799 1.004 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 77 6.489 3.045 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.106 1.362 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.493 0.648 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.766 0.386 -1.608 1.00 0.00 H new ATOM 835 N GLN A 78 8.263 2.695 -3.597 1.00 0.00 N ATOM 836 CA GLN A 78 9.331 3.286 -4.386 1.00 0.00 C ATOM 837 C GLN A 78 8.939 4.693 -4.842 1.00 0.00 C ATOM 838 O GLN A 78 9.744 5.620 -4.768 1.00 0.00 O ATOM 839 CB GLN A 78 9.682 2.400 -5.584 1.00 0.00 C ATOM 840 CG GLN A 78 11.021 2.814 -6.198 1.00 0.00 C ATOM 841 CD GLN A 78 10.816 3.817 -7.334 1.00 0.00 C ATOM 842 OE1 GLN A 78 9.712 4.243 -7.630 1.00 0.00 O ATOM 843 NE2 GLN A 78 11.939 4.170 -7.953 1.00 0.00 N ATOM 0 H GLN A 78 7.709 1.993 -4.087 1.00 0.00 H new ATOM 0 HA GLN A 78 10.219 3.363 -3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.729 1.358 -5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.896 2.470 -6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.657 3.254 -5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.540 1.933 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.831 3.776 -7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 78 11.908 4.835 -8.726 1.00 0.00 H new ATOM 852 N ARG A 79 7.702 4.808 -5.302 1.00 0.00 N ATOM 853 CA ARG A 79 7.194 6.086 -5.770 1.00 0.00 C ATOM 854 C ARG A 79 7.286 7.133 -4.657 1.00 0.00 C ATOM 855 O ARG A 79 7.440 8.322 -4.930 1.00 0.00 O ATOM 856 CB ARG A 79 5.739 5.966 -6.228 1.00 0.00 C ATOM 857 CG ARG A 79 5.614 6.233 -7.730 1.00 0.00 C ATOM 858 CD ARG A 79 4.154 6.461 -8.126 1.00 0.00 C ATOM 859 NE ARG A 79 3.934 6.021 -9.522 1.00 0.00 N ATOM 860 CZ ARG A 79 2.731 5.954 -10.108 1.00 0.00 C ATOM 861 NH1 ARG A 79 1.632 6.297 -9.422 1.00 0.00 N ATOM 862 NH2 ARG A 79 2.626 5.543 -11.379 1.00 0.00 N ATOM 0 H ARG A 79 7.037 4.037 -5.361 1.00 0.00 H new ATOM 0 HA ARG A 79 7.806 6.396 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.363 4.969 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.121 6.674 -5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.208 7.107 -7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.018 5.389 -8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.496 5.910 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.902 7.516 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 79 4.749 5.752 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.712 6.609 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.716 6.246 -9.868 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.462 5.281 -11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.710 5.492 -11.825 1.00 0.00 H new ATOM 876 N LEU A 80 7.187 6.652 -3.426 1.00 0.00 N ATOM 877 CA LEU A 80 7.257 7.531 -2.272 1.00 0.00 C ATOM 878 C LEU A 80 8.617 8.231 -2.251 1.00 0.00 C ATOM 879 O LEU A 80 8.700 9.425 -1.965 1.00 0.00 O ATOM 880 CB LEU A 80 6.944 6.757 -0.989 1.00 0.00 C ATOM 881 CG LEU A 80 5.470 6.693 -0.587 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.130 5.339 0.039 1.00 0.00 C ATOM 883 CD2 LEU A 80 5.102 7.858 0.334 1.00 0.00 C ATOM 0 H LEU A 80 7.059 5.665 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 80 6.498 8.310 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.313 5.738 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.504 7.209 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 80 4.866 6.791 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.076 5.320 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.330 4.545 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.741 5.186 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.048 7.789 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.712 7.815 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.283 8.801 -0.182 1.00 0.00 H new ATOM 895 N VAL A 81 9.649 7.459 -2.558 1.00 0.00 N ATOM 896 CA VAL A 81 11.001 7.991 -2.578 1.00 0.00 C ATOM 897 C VAL A 81 11.134 8.991 -3.728 1.00 0.00 C ATOM 898 O VAL A 81 11.635 10.099 -3.537 1.00 0.00 O ATOM 899 CB VAL A 81 12.013 6.846 -2.662 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.386 7.359 -3.098 1.00 0.00 C ATOM 901 CG2 VAL A 81 12.105 6.097 -1.331 1.00 0.00 C ATOM 0 H VAL A 81 9.576 6.470 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 81 11.214 8.528 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 81 11.662 6.144 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.086 6.525 -3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.305 7.826 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.747 8.092 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.831 5.289 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.421 6.785 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.129 5.683 -1.078 1.00 0.00 H new ATOM 911 N VAL A 82 10.676 8.566 -4.896 1.00 0.00 N ATOM 912 CA VAL A 82 10.738 9.410 -6.077 1.00 0.00 C ATOM 913 C VAL A 82 10.051 10.745 -5.780 1.00 0.00 C ATOM 914 O VAL A 82 10.498 11.794 -6.243 1.00 0.00 O ATOM 915 CB VAL A 82 10.130 8.679 -7.275 1.00 0.00 C ATOM 916 CG1 VAL A 82 9.910 9.637 -8.448 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.001 7.493 -7.693 1.00 0.00 C ATOM 0 H VAL A 82 10.260 7.647 -5.050 1.00 0.00 H new ATOM 0 HA VAL A 82 11.774 9.627 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 82 9.158 8.291 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.477 9.092 -9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.232 10.434 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.865 10.068 -8.750 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.546 6.991 -8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.994 7.850 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.085 6.792 -6.862 1.00 0.00 H new ATOM 927 N ALA A 83 8.977 10.663 -5.009 1.00 0.00 N ATOM 928 CA ALA A 83 8.224 11.852 -4.645 1.00 0.00 C ATOM 929 C ALA A 83 9.110 12.773 -3.805 1.00 0.00 C ATOM 930 O ALA A 83 8.902 13.985 -3.778 1.00 0.00 O ATOM 931 CB ALA A 83 6.947 11.442 -3.910 1.00 0.00 C ATOM 0 H ALA A 83 8.610 9.792 -4.626 1.00 0.00 H new ATOM 0 HA ALA A 83 7.924 12.405 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.382 12.333 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.339 10.812 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.208 10.888 -3.009 1.00 0.00 H new ATOM 937 N GLY A 84 10.080 12.163 -3.139 1.00 0.00 N ATOM 938 CA GLY A 84 10.998 12.914 -2.299 1.00 0.00 C ATOM 939 C GLY A 84 10.847 12.517 -0.830 1.00 0.00 C ATOM 940 O GLY A 84 11.260 13.256 0.062 1.00 0.00 O ATOM 0 H GLY A 84 10.250 11.158 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.023 12.735 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.809 13.982 -2.412 1.00 0.00 H new ATOM 944 N ALA A 85 10.255 11.350 -0.623 1.00 0.00 N ATOM 945 CA ALA A 85 10.044 10.845 0.723 1.00 0.00 C ATOM 946 C ALA A 85 11.351 10.248 1.250 1.00 0.00 C ATOM 947 O ALA A 85 12.225 9.873 0.470 1.00 0.00 O ATOM 948 CB ALA A 85 8.901 9.829 0.715 1.00 0.00 C ATOM 0 H ALA A 85 9.915 10.739 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 85 9.756 11.654 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.743 9.451 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.989 10.310 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.155 9.001 0.053 1.00 0.00 H new ATOM 954 N GLU A 86 11.443 10.180 2.570 1.00 0.00 N ATOM 955 CA GLU A 86 12.629 9.635 3.209 1.00 0.00 C ATOM 956 C GLU A 86 12.911 8.223 2.690 1.00 0.00 C ATOM 957 O GLU A 86 11.988 7.496 2.326 1.00 0.00 O ATOM 958 CB GLU A 86 12.481 9.639 4.732 1.00 0.00 C ATOM 959 CG GLU A 86 13.704 10.269 5.400 1.00 0.00 C ATOM 960 CD GLU A 86 13.890 11.719 4.949 1.00 0.00 C ATOM 961 OE1 GLU A 86 15.063 12.117 4.786 1.00 0.00 O ATOM 962 OE2 GLU A 86 12.854 12.396 4.776 1.00 0.00 O ATOM 0 H GLU A 86 10.717 10.493 3.214 1.00 0.00 H new ATOM 0 HA GLU A 86 13.478 10.270 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.584 10.191 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.352 8.618 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.590 10.233 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.595 9.691 5.154 1.00 0.00 H new ATOM 969 N ASP A 87 14.191 7.879 2.671 1.00 0.00 N ATOM 970 CA ASP A 87 14.606 6.569 2.201 1.00 0.00 C ATOM 971 C ASP A 87 15.615 5.975 3.187 1.00 0.00 C ATOM 972 O ASP A 87 16.785 6.356 3.187 1.00 0.00 O ATOM 973 CB ASP A 87 15.281 6.662 0.832 1.00 0.00 C ATOM 974 CG ASP A 87 15.060 5.456 -0.083 1.00 0.00 C ATOM 975 OD1 ASP A 87 15.825 5.340 -1.064 1.00 0.00 O ATOM 976 OD2 ASP A 87 14.130 4.677 0.221 1.00 0.00 O ATOM 0 H ASP A 87 14.954 8.485 2.974 1.00 0.00 H new ATOM 0 HA ASP A 87 13.718 5.942 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.917 7.555 0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.353 6.794 0.981 1.00 0.00 H new ATOM 981 N GLN A 88 15.125 5.053 4.002 1.00 0.00 N ATOM 982 CA GLN A 88 15.970 4.403 4.990 1.00 0.00 C ATOM 983 C GLN A 88 16.017 2.894 4.738 1.00 0.00 C ATOM 984 O GLN A 88 16.860 2.194 5.296 1.00 0.00 O ATOM 985 CB GLN A 88 15.487 4.707 6.409 1.00 0.00 C ATOM 986 CG GLN A 88 15.105 6.182 6.554 1.00 0.00 C ATOM 987 CD GLN A 88 16.313 7.088 6.307 1.00 0.00 C ATOM 988 OE1 GLN A 88 17.405 6.640 5.997 1.00 0.00 O ATOM 989 NE2 GLN A 88 16.058 8.384 6.460 1.00 0.00 N ATOM 0 H GLN A 88 14.154 4.740 3.999 1.00 0.00 H new ATOM 0 HA GLN A 88 16.981 4.799 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.628 4.080 6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.271 4.458 7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.312 6.427 5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.709 6.362 7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.121 8.692 6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.799 9.070 6.317 1.00 0.00 H new ATOM 998 N ARG A 89 15.100 2.438 3.898 1.00 0.00 N ATOM 999 CA ARG A 89 15.026 1.025 3.566 1.00 0.00 C ATOM 1000 C ARG A 89 16.143 0.650 2.591 1.00 0.00 C ATOM 1001 O ARG A 89 16.510 -0.519 2.482 1.00 0.00 O ATOM 1002 CB ARG A 89 13.674 0.677 2.941 1.00 0.00 C ATOM 1003 CG ARG A 89 13.501 1.367 1.586 1.00 0.00 C ATOM 1004 CD ARG A 89 12.283 0.818 0.842 1.00 0.00 C ATOM 1005 NE ARG A 89 12.258 1.340 -0.543 1.00 0.00 N ATOM 1006 CZ ARG A 89 11.458 0.868 -1.509 1.00 0.00 C ATOM 1007 NH1 ARG A 89 10.612 -0.137 -1.247 1.00 0.00 N ATOM 1008 NH2 ARG A 89 11.505 1.403 -2.737 1.00 0.00 N ATOM 0 H ARG A 89 14.402 3.022 3.437 1.00 0.00 H new ATOM 0 HA ARG A 89 15.142 0.460 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.595 -0.403 2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.870 0.980 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.388 2.441 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.397 1.220 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.316 -0.271 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.369 1.103 1.363 1.00 0.00 H new ATOM 0 HE ARG A 89 12.889 2.107 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.577 -0.543 -0.312 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.003 -0.496 -1.982 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.149 2.169 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.897 1.045 -3.473 1.00 0.00 H new