USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= -7.55! C(o=-7.5!,f=-17!) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.592 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.158 USER MOD Single : A 24 MET CE :methyl -129:sc= -1.87 (180deg=-7.1!) USER MOD Single : A 25 ASN : amide:sc= -6.38! C(o=-6.4!,f=-14!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.51! C(o=-2.5!,f=-3.2!) USER MOD Single : A 38 SER OG : rot -122:sc= -2.69! USER MOD Single : A 49 SER OG : rot 97:sc= 0.646 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.98! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N ILE A 2 -4.907 5.466 5.418 1.00 0.00 N ATOM 16 CA ILE A 2 -5.245 4.206 4.778 1.00 0.00 C ATOM 17 C ILE A 2 -5.058 3.064 5.780 1.00 0.00 C ATOM 18 O ILE A 2 -4.739 3.302 6.943 1.00 0.00 O ATOM 19 CB ILE A 2 -4.444 4.029 3.486 1.00 0.00 C ATOM 20 CG1 ILE A 2 -2.952 4.263 3.731 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.992 4.925 2.374 1.00 0.00 C ATOM 22 CD1 ILE A 2 -2.551 5.688 3.344 1.00 0.00 C ATOM 0 HA ILE A 2 -6.293 4.200 4.479 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.557 2.998 3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.720 4.089 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.368 3.547 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.405 4.780 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.033 4.666 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.930 5.968 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.486 5.829 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.762 5.851 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.119 6.401 3.941 1.00 0.00 H new ATOM 34 N GLU A 3 -5.264 1.851 5.290 1.00 0.00 N ATOM 35 CA GLU A 3 -5.121 0.672 6.128 1.00 0.00 C ATOM 36 C GLU A 3 -4.347 -0.418 5.385 1.00 0.00 C ATOM 37 O GLU A 3 -4.410 -0.503 4.158 1.00 0.00 O ATOM 38 CB GLU A 3 -6.487 0.157 6.587 1.00 0.00 C ATOM 39 CG GLU A 3 -6.342 -0.803 7.768 1.00 0.00 C ATOM 40 CD GLU A 3 -6.022 -0.043 9.057 1.00 0.00 C ATOM 41 OE1 GLU A 3 -6.555 1.077 9.202 1.00 0.00 O ATOM 42 OE2 GLU A 3 -5.251 -0.601 9.868 1.00 0.00 O ATOM 0 H GLU A 3 -5.529 1.659 4.324 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.555 0.950 7.017 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.119 0.998 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.985 -0.350 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.264 -1.370 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.551 -1.523 7.561 1.00 0.00 H new ATOM 49 N VAL A 4 -3.633 -1.223 6.157 1.00 0.00 N ATOM 50 CA VAL A 4 -2.846 -2.304 5.586 1.00 0.00 C ATOM 51 C VAL A 4 -2.574 -3.354 6.664 1.00 0.00 C ATOM 52 O VAL A 4 -1.654 -3.202 7.467 1.00 0.00 O ATOM 53 CB VAL A 4 -1.567 -1.745 4.959 1.00 0.00 C ATOM 54 CG1 VAL A 4 -0.915 -0.707 5.876 1.00 0.00 C ATOM 55 CG2 VAL A 4 -0.586 -2.870 4.621 1.00 0.00 C ATOM 0 H VAL A 4 -3.582 -1.149 7.173 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.397 -2.796 4.784 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.840 -1.246 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.008 -0.326 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.609 0.116 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.663 -1.171 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.315 -2.446 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.323 -3.409 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.050 -3.557 3.914 1.00 0.00 H new ATOM 65 N ASN A 5 -3.390 -4.399 6.647 1.00 0.00 N ATOM 66 CA ASN A 5 -3.249 -5.474 7.614 1.00 0.00 C ATOM 67 C ASN A 5 -1.812 -5.998 7.580 1.00 0.00 C ATOM 68 O ASN A 5 -0.953 -5.422 6.917 1.00 0.00 O ATOM 69 CB ASN A 5 -4.185 -6.638 7.281 1.00 0.00 C ATOM 70 CG ASN A 5 -4.377 -6.774 5.770 1.00 0.00 C ATOM 71 OD1 ASN A 5 -3.527 -6.407 4.975 1.00 0.00 O ATOM 72 ND2 ASN A 5 -5.537 -7.320 5.418 1.00 0.00 N ATOM 0 H ASN A 5 -4.151 -4.523 5.979 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.500 -5.079 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.776 -7.565 7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.151 -6.481 7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.759 -7.454 4.432 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.205 -7.605 6.134 1.00 0.00 H new ATOM 79 N ASP A 6 -1.596 -7.087 8.305 1.00 0.00 N ATOM 80 CA ASP A 6 -0.278 -7.695 8.367 1.00 0.00 C ATOM 81 C ASP A 6 -0.250 -8.934 7.470 1.00 0.00 C ATOM 82 O ASP A 6 0.781 -9.256 6.882 1.00 0.00 O ATOM 83 CB ASP A 6 0.058 -8.136 9.793 1.00 0.00 C ATOM 84 CG ASP A 6 -1.135 -8.206 10.747 1.00 0.00 C ATOM 85 OD1 ASP A 6 -2.190 -8.707 10.300 1.00 0.00 O ATOM 86 OD2 ASP A 6 -0.967 -7.757 11.901 1.00 0.00 O ATOM 0 H ASP A 6 -2.312 -7.563 8.854 1.00 0.00 H new ATOM 0 HA ASP A 6 0.451 -6.955 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.529 -9.118 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.794 -7.447 10.206 1.00 0.00 H new ATOM 91 N ASP A 7 -1.396 -9.596 7.393 1.00 0.00 N ATOM 92 CA ASP A 7 -1.516 -10.792 6.578 1.00 0.00 C ATOM 93 C ASP A 7 -0.729 -10.600 5.279 1.00 0.00 C ATOM 94 O ASP A 7 -0.195 -11.561 4.725 1.00 0.00 O ATOM 95 CB ASP A 7 -2.976 -11.063 6.210 1.00 0.00 C ATOM 96 CG ASP A 7 -3.901 -11.339 7.396 1.00 0.00 C ATOM 97 OD1 ASP A 7 -3.376 -11.370 8.530 1.00 0.00 O ATOM 98 OD2 ASP A 7 -5.114 -11.509 7.142 1.00 0.00 O ATOM 0 H ASP A 7 -2.249 -9.326 7.882 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.127 -11.632 7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.362 -10.205 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.012 -11.917 5.534 1.00 0.00 H new ATOM 103 N CYS A 8 -0.681 -9.354 4.833 1.00 0.00 N ATOM 104 CA CYS A 8 0.032 -9.024 3.610 1.00 0.00 C ATOM 105 C CYS A 8 1.451 -9.585 3.716 1.00 0.00 C ATOM 106 O CYS A 8 1.956 -9.802 4.817 1.00 0.00 O ATOM 107 CB CYS A 8 0.032 -7.518 3.344 1.00 0.00 C ATOM 108 SG CYS A 8 1.592 -6.862 2.643 1.00 0.00 S ATOM 0 H CYS A 8 -1.124 -8.560 5.296 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.474 -9.477 2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.784 -7.284 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.177 -6.998 4.279 1.00 0.00 H new ATOM 0 HG CYS A 8 1.479 -5.580 2.457 1.00 0.00 H new ATOM 113 N MET A 9 2.055 -9.803 2.557 1.00 0.00 N ATOM 114 CA MET A 9 3.407 -10.333 2.505 1.00 0.00 C ATOM 115 C MET A 9 4.412 -9.239 2.142 1.00 0.00 C ATOM 116 O MET A 9 5.048 -8.657 3.020 1.00 0.00 O ATOM 117 CB MET A 9 3.476 -11.456 1.467 1.00 0.00 C ATOM 118 CG MET A 9 3.584 -12.823 2.145 1.00 0.00 C ATOM 119 SD MET A 9 5.245 -13.456 1.980 1.00 0.00 S ATOM 120 CE MET A 9 4.967 -15.168 2.405 1.00 0.00 C ATOM 0 H MET A 9 1.633 -9.622 1.646 1.00 0.00 H new ATOM 0 HA MET A 9 3.663 -10.721 3.491 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.588 -11.428 0.836 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.335 -11.301 0.815 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.322 -12.737 3.199 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.875 -13.518 1.696 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.909 -15.714 2.352 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.567 -15.231 3.417 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.255 -15.605 1.705 1.00 0.00 H new ATOM 130 N ALA A 10 4.527 -8.992 0.846 1.00 0.00 N ATOM 131 CA ALA A 10 5.444 -7.978 0.355 1.00 0.00 C ATOM 132 C ALA A 10 5.610 -8.135 -1.158 1.00 0.00 C ATOM 133 O ALA A 10 6.709 -8.404 -1.641 1.00 0.00 O ATOM 134 CB ALA A 10 6.775 -8.088 1.102 1.00 0.00 C ATOM 0 H ALA A 10 4.000 -9.477 0.120 1.00 0.00 H new ATOM 0 HA ALA A 10 5.047 -6.980 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.463 -7.327 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.607 -7.939 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.204 -9.076 0.937 1.00 0.00 H new ATOM 140 N CYS A 11 4.502 -7.960 -1.864 1.00 0.00 N ATOM 141 CA CYS A 11 4.512 -8.079 -3.312 1.00 0.00 C ATOM 142 C CYS A 11 5.276 -6.885 -3.888 1.00 0.00 C ATOM 143 O CYS A 11 6.044 -7.036 -4.837 1.00 0.00 O ATOM 144 CB CYS A 11 3.094 -8.177 -3.880 1.00 0.00 C ATOM 145 SG CYS A 11 2.995 -8.817 -5.591 1.00 0.00 S ATOM 0 H CYS A 11 3.592 -7.737 -1.460 1.00 0.00 H new ATOM 0 HA CYS A 11 5.014 -9.003 -3.600 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.502 -8.822 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.637 -7.188 -3.850 1.00 0.00 H new ATOM 0 HG CYS A 11 1.751 -8.859 -5.967 1.00 0.00 H new ATOM 150 N GLU A 12 5.040 -5.728 -3.289 1.00 0.00 N ATOM 151 CA GLU A 12 5.698 -4.510 -3.730 1.00 0.00 C ATOM 152 C GLU A 12 5.018 -3.966 -4.989 1.00 0.00 C ATOM 153 O GLU A 12 5.501 -3.010 -5.595 1.00 0.00 O ATOM 154 CB GLU A 12 7.189 -4.748 -3.973 1.00 0.00 C ATOM 155 CG GLU A 12 7.994 -3.467 -3.748 1.00 0.00 C ATOM 156 CD GLU A 12 9.495 -3.760 -3.708 1.00 0.00 C ATOM 157 OE1 GLU A 12 9.905 -4.487 -2.779 1.00 0.00 O ATOM 158 OE2 GLU A 12 10.198 -3.251 -4.607 1.00 0.00 O ATOM 0 H GLU A 12 4.402 -5.608 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 12 5.607 -3.765 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.549 -5.530 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.343 -5.104 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.780 -2.755 -4.545 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.686 -3.000 -2.812 1.00 0.00 H new ATOM 165 N ALA A 13 3.909 -4.597 -5.343 1.00 0.00 N ATOM 166 CA ALA A 13 3.159 -4.188 -6.518 1.00 0.00 C ATOM 167 C ALA A 13 2.515 -2.824 -6.258 1.00 0.00 C ATOM 168 O ALA A 13 2.626 -1.915 -7.079 1.00 0.00 O ATOM 169 CB ALA A 13 2.126 -5.263 -6.864 1.00 0.00 C ATOM 0 H ALA A 13 3.511 -5.388 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 13 3.821 -4.082 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.563 -4.956 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.635 -6.205 -7.068 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.443 -5.395 -6.025 1.00 0.00 H new ATOM 175 N CYS A 14 1.857 -2.724 -5.112 1.00 0.00 N ATOM 176 CA CYS A 14 1.196 -1.487 -4.734 1.00 0.00 C ATOM 177 C CYS A 14 2.258 -0.392 -4.618 1.00 0.00 C ATOM 178 O CYS A 14 1.982 0.776 -4.887 1.00 0.00 O ATOM 179 CB CYS A 14 0.397 -1.646 -3.439 1.00 0.00 C ATOM 180 SG CYS A 14 1.406 -1.993 -1.951 1.00 0.00 S ATOM 0 H CYS A 14 1.768 -3.480 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 14 0.471 -1.210 -5.499 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.176 -0.734 -3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.322 -2.454 -3.570 1.00 0.00 H new ATOM 0 HG CYS A 14 0.628 -2.106 -0.916 1.00 0.00 H new ATOM 185 N VAL A 15 3.451 -0.808 -4.218 1.00 0.00 N ATOM 186 CA VAL A 15 4.555 0.124 -4.063 1.00 0.00 C ATOM 187 C VAL A 15 5.100 0.496 -5.444 1.00 0.00 C ATOM 188 O VAL A 15 5.592 1.605 -5.642 1.00 0.00 O ATOM 189 CB VAL A 15 5.619 -0.475 -3.142 1.00 0.00 C ATOM 190 CG1 VAL A 15 6.851 0.429 -3.066 1.00 0.00 C ATOM 191 CG2 VAL A 15 5.050 -0.743 -1.748 1.00 0.00 C ATOM 0 H VAL A 15 3.677 -1.778 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 15 4.215 1.045 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 15 5.929 -1.430 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.592 -0.020 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.278 0.547 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.562 1.405 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.827 -1.169 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.698 0.192 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.219 -1.444 -1.823 1.00 0.00 H new ATOM 201 N GLU A 16 4.994 -0.454 -6.361 1.00 0.00 N ATOM 202 CA GLU A 16 5.471 -0.240 -7.717 1.00 0.00 C ATOM 203 C GLU A 16 4.438 0.552 -8.524 1.00 0.00 C ATOM 204 O GLU A 16 4.707 0.959 -9.653 1.00 0.00 O ATOM 205 CB GLU A 16 5.798 -1.569 -8.400 1.00 0.00 C ATOM 206 CG GLU A 16 7.245 -1.590 -8.895 1.00 0.00 C ATOM 207 CD GLU A 16 8.225 -1.450 -7.728 1.00 0.00 C ATOM 208 OE1 GLU A 16 8.081 -2.236 -6.768 1.00 0.00 O ATOM 209 OE2 GLU A 16 9.097 -0.559 -7.824 1.00 0.00 O ATOM 0 H GLU A 16 4.585 -1.373 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 16 6.391 0.342 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.637 -2.390 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.121 -1.727 -9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.438 -2.522 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.402 -0.779 -9.606 1.00 0.00 H new ATOM 216 N ILE A 17 3.279 0.745 -7.912 1.00 0.00 N ATOM 217 CA ILE A 17 2.206 1.481 -8.560 1.00 0.00 C ATOM 218 C ILE A 17 2.014 2.824 -7.852 1.00 0.00 C ATOM 219 O ILE A 17 1.587 3.799 -8.469 1.00 0.00 O ATOM 220 CB ILE A 17 0.935 0.630 -8.620 1.00 0.00 C ATOM 221 CG1 ILE A 17 0.136 0.927 -9.890 1.00 0.00 C ATOM 222 CG2 ILE A 17 0.091 0.815 -7.356 1.00 0.00 C ATOM 223 CD1 ILE A 17 -0.188 2.418 -9.999 1.00 0.00 C ATOM 0 H ILE A 17 3.059 0.405 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 17 2.465 1.701 -9.596 1.00 0.00 H new ATOM 0 HB ILE A 17 1.228 -0.419 -8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.705 0.610 -10.764 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.789 0.350 -9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.806 0.200 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.672 0.515 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.194 1.863 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.756 2.601 -10.911 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.778 2.726 -9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.739 2.991 -10.028 1.00 0.00 H new ATOM 235 N CYS A 18 2.340 2.831 -6.568 1.00 0.00 N ATOM 236 CA CYS A 18 2.209 4.039 -5.770 1.00 0.00 C ATOM 237 C CYS A 18 3.256 3.994 -4.656 1.00 0.00 C ATOM 238 O CYS A 18 2.927 3.739 -3.499 1.00 0.00 O ATOM 239 CB CYS A 18 0.792 4.199 -5.215 1.00 0.00 C ATOM 240 SG CYS A 18 0.267 5.930 -4.940 1.00 0.00 S ATOM 0 H CYS A 18 2.694 2.020 -6.060 1.00 0.00 H new ATOM 0 HA CYS A 18 2.384 4.913 -6.397 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.092 3.727 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.724 3.659 -4.271 1.00 0.00 H new ATOM 245 N PRO A 19 4.531 4.254 -5.055 1.00 0.00 N ATOM 246 CA PRO A 19 5.629 4.246 -4.105 1.00 0.00 C ATOM 247 C PRO A 19 5.609 5.504 -3.233 1.00 0.00 C ATOM 248 O PRO A 19 6.523 5.728 -2.441 1.00 0.00 O ATOM 249 CB PRO A 19 6.884 4.131 -4.954 1.00 0.00 C ATOM 250 CG PRO A 19 6.477 4.547 -6.358 1.00 0.00 C ATOM 251 CD PRO A 19 4.957 4.560 -6.417 1.00 0.00 C ATOM 0 HA PRO A 19 5.567 3.419 -3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.676 4.775 -4.570 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.270 3.111 -4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.877 5.533 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.882 3.853 -7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.582 5.531 -6.741 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.582 3.821 -7.125 1.00 0.00 H new ATOM 259 N ASP A 20 4.558 6.290 -3.410 1.00 0.00 N ATOM 260 CA ASP A 20 4.408 7.520 -2.650 1.00 0.00 C ATOM 261 C ASP A 20 3.360 7.312 -1.555 1.00 0.00 C ATOM 262 O ASP A 20 3.248 8.122 -0.636 1.00 0.00 O ATOM 263 CB ASP A 20 3.934 8.666 -3.545 1.00 0.00 C ATOM 264 CG ASP A 20 4.573 10.025 -3.249 1.00 0.00 C ATOM 265 OD1 ASP A 20 4.092 10.684 -2.303 1.00 0.00 O ATOM 266 OD2 ASP A 20 5.528 10.373 -3.977 1.00 0.00 O ATOM 0 H ASP A 20 3.802 6.100 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 20 5.378 7.773 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.138 8.404 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.853 8.761 -3.446 1.00 0.00 H new ATOM 271 N VAL A 21 2.619 6.221 -1.688 1.00 0.00 N ATOM 272 CA VAL A 21 1.585 5.897 -0.721 1.00 0.00 C ATOM 273 C VAL A 21 1.983 4.630 0.041 1.00 0.00 C ATOM 274 O VAL A 21 1.540 4.413 1.167 1.00 0.00 O ATOM 275 CB VAL A 21 0.232 5.769 -1.424 1.00 0.00 C ATOM 276 CG1 VAL A 21 -0.867 5.381 -0.432 1.00 0.00 C ATOM 277 CG2 VAL A 21 -0.126 7.060 -2.162 1.00 0.00 C ATOM 0 H VAL A 21 2.715 5.551 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 21 1.483 6.699 0.010 1.00 0.00 H new ATOM 0 HB VAL A 21 0.312 4.972 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.818 5.297 -0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.621 4.424 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.946 6.146 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.092 6.942 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.179 7.884 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.637 7.275 -2.910 1.00 0.00 H new ATOM 287 N PHE A 22 2.817 3.828 -0.605 1.00 0.00 N ATOM 288 CA PHE A 22 3.280 2.589 -0.003 1.00 0.00 C ATOM 289 C PHE A 22 4.721 2.284 -0.418 1.00 0.00 C ATOM 290 O PHE A 22 5.021 2.184 -1.606 1.00 0.00 O ATOM 291 CB PHE A 22 2.368 1.474 -0.515 1.00 0.00 C ATOM 292 CG PHE A 22 0.892 1.869 -0.605 1.00 0.00 C ATOM 293 CD1 PHE A 22 0.160 2.029 0.530 1.00 0.00 C ATOM 294 CD2 PHE A 22 0.313 2.061 -1.821 1.00 0.00 C ATOM 295 CE1 PHE A 22 -1.209 2.397 0.445 1.00 0.00 C ATOM 296 CE2 PHE A 22 -1.055 2.429 -1.905 1.00 0.00 C ATOM 297 CZ PHE A 22 -1.788 2.589 -0.770 1.00 0.00 C ATOM 0 H PHE A 22 3.184 4.012 -1.539 1.00 0.00 H new ATOM 0 HA PHE A 22 3.252 2.670 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.711 1.162 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.463 0.610 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.620 1.876 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.894 1.933 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.791 2.524 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.514 2.582 -2.870 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.829 2.868 -0.834 1.00 0.00 H new ATOM 307 N GLU A 23 5.576 2.143 0.585 1.00 0.00 N ATOM 308 CA GLU A 23 6.977 1.850 0.339 1.00 0.00 C ATOM 309 C GLU A 23 7.456 0.729 1.264 1.00 0.00 C ATOM 310 O GLU A 23 7.178 0.747 2.462 1.00 0.00 O ATOM 311 CB GLU A 23 7.837 3.105 0.508 1.00 0.00 C ATOM 312 CG GLU A 23 9.269 2.739 0.906 1.00 0.00 C ATOM 313 CD GLU A 23 10.206 3.937 0.742 1.00 0.00 C ATOM 314 OE1 GLU A 23 9.811 4.871 0.011 1.00 0.00 O ATOM 315 OE2 GLU A 23 11.297 3.891 1.350 1.00 0.00 O ATOM 0 H GLU A 23 5.325 2.226 1.570 1.00 0.00 H new ATOM 0 HA GLU A 23 7.082 1.513 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.848 3.671 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.398 3.751 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.287 2.398 1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.621 1.911 0.291 1.00 0.00 H new ATOM 322 N MET A 24 8.167 -0.220 0.672 1.00 0.00 N ATOM 323 CA MET A 24 8.686 -1.346 1.427 1.00 0.00 C ATOM 324 C MET A 24 9.096 -0.919 2.839 1.00 0.00 C ATOM 325 O MET A 24 9.470 0.233 3.058 1.00 0.00 O ATOM 326 CB MET A 24 9.898 -1.934 0.700 1.00 0.00 C ATOM 327 CG MET A 24 9.649 -2.005 -0.808 1.00 0.00 C ATOM 328 SD MET A 24 10.471 -0.648 -1.626 1.00 0.00 S ATOM 329 CE MET A 24 11.576 -1.554 -2.696 1.00 0.00 C ATOM 0 H MET A 24 8.395 -0.231 -0.322 1.00 0.00 H new ATOM 0 HA MET A 24 7.900 -2.097 1.509 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.778 -1.323 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.109 -2.932 1.085 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.015 -2.953 -1.201 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.579 -1.968 -1.010 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.591 -1.175 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.550 -2.612 -2.434 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.263 -1.429 -3.733 1.00 0.00 H new ATOM 339 N ASN A 25 9.013 -1.869 3.758 1.00 0.00 N ATOM 340 CA ASN A 25 9.372 -1.604 5.142 1.00 0.00 C ATOM 341 C ASN A 25 10.859 -1.254 5.221 1.00 0.00 C ATOM 342 O ASN A 25 11.394 -0.601 4.327 1.00 0.00 O ATOM 343 CB ASN A 25 9.128 -2.835 6.018 1.00 0.00 C ATOM 344 CG ASN A 25 8.965 -2.438 7.486 1.00 0.00 C ATOM 345 OD1 ASN A 25 8.149 -1.605 7.844 1.00 0.00 O ATOM 346 ND2 ASN A 25 9.785 -3.079 8.314 1.00 0.00 N ATOM 0 H ASN A 25 8.703 -2.823 3.573 1.00 0.00 H new ATOM 0 HA ASN A 25 8.756 -0.779 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.234 -3.357 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.962 -3.530 5.916 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.754 -2.884 9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.445 -3.765 7.948 1.00 0.00 H new ATOM 353 N GLU A 26 11.483 -1.705 6.299 1.00 0.00 N ATOM 354 CA GLU A 26 12.897 -1.447 6.507 1.00 0.00 C ATOM 355 C GLU A 26 13.741 -2.478 5.754 1.00 0.00 C ATOM 356 O GLU A 26 14.910 -2.234 5.462 1.00 0.00 O ATOM 357 CB GLU A 26 13.241 -1.443 7.998 1.00 0.00 C ATOM 358 CG GLU A 26 14.158 -0.268 8.347 1.00 0.00 C ATOM 359 CD GLU A 26 15.523 -0.762 8.830 1.00 0.00 C ATOM 360 OE1 GLU A 26 15.542 -1.429 9.886 1.00 0.00 O ATOM 361 OE2 GLU A 26 16.514 -0.461 8.131 1.00 0.00 O ATOM 0 H GLU A 26 11.035 -2.247 7.038 1.00 0.00 H new ATOM 0 HA GLU A 26 13.127 -0.458 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.325 -1.381 8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.728 -2.381 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.287 0.370 7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.694 0.343 9.121 1.00 0.00 H new ATOM 368 N GLU A 27 13.114 -3.608 5.461 1.00 0.00 N ATOM 369 CA GLU A 27 13.793 -4.676 4.748 1.00 0.00 C ATOM 370 C GLU A 27 12.818 -5.388 3.807 1.00 0.00 C ATOM 371 O GLU A 27 13.104 -6.483 3.324 1.00 0.00 O ATOM 372 CB GLU A 27 14.435 -5.665 5.723 1.00 0.00 C ATOM 373 CG GLU A 27 14.940 -4.949 6.977 1.00 0.00 C ATOM 374 CD GLU A 27 15.686 -5.917 7.898 1.00 0.00 C ATOM 375 OE1 GLU A 27 16.556 -6.644 7.372 1.00 0.00 O ATOM 376 OE2 GLU A 27 15.368 -5.908 9.107 1.00 0.00 O ATOM 0 H GLU A 27 12.144 -3.807 5.704 1.00 0.00 H new ATOM 0 HA GLU A 27 14.591 -4.237 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.709 -6.428 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.263 -6.177 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.601 -4.131 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.099 -4.508 7.512 1.00 0.00 H new ATOM 383 N GLY A 28 11.689 -4.737 3.573 1.00 0.00 N ATOM 384 CA GLY A 28 10.671 -5.294 2.698 1.00 0.00 C ATOM 385 C GLY A 28 9.780 -6.282 3.454 1.00 0.00 C ATOM 386 O GLY A 28 9.027 -7.038 2.841 1.00 0.00 O ATOM 0 H GLY A 28 11.456 -3.829 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.061 -4.490 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.146 -5.798 1.856 1.00 0.00 H new ATOM 390 N ASP A 29 9.896 -6.245 4.774 1.00 0.00 N ATOM 391 CA ASP A 29 9.110 -7.128 5.619 1.00 0.00 C ATOM 392 C ASP A 29 7.622 -6.880 5.364 1.00 0.00 C ATOM 393 O ASP A 29 6.787 -7.734 5.661 1.00 0.00 O ATOM 394 CB ASP A 29 9.388 -6.863 7.099 1.00 0.00 C ATOM 395 CG ASP A 29 9.461 -8.113 7.977 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.397 -8.911 7.752 1.00 0.00 O ATOM 397 OD2 ASP A 29 8.580 -8.244 8.855 1.00 0.00 O ATOM 0 H ASP A 29 10.522 -5.618 5.278 1.00 0.00 H new ATOM 0 HA ASP A 29 9.382 -8.156 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.330 -6.322 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.608 -6.209 7.488 1.00 0.00 H new ATOM 402 N LYS A 30 7.336 -5.708 4.817 1.00 0.00 N ATOM 403 CA LYS A 30 5.962 -5.337 4.520 1.00 0.00 C ATOM 404 C LYS A 30 5.944 -3.959 3.855 1.00 0.00 C ATOM 405 O LYS A 30 6.919 -3.213 3.937 1.00 0.00 O ATOM 406 CB LYS A 30 5.099 -5.424 5.780 1.00 0.00 C ATOM 407 CG LYS A 30 5.632 -4.497 6.874 1.00 0.00 C ATOM 408 CD LYS A 30 4.574 -4.262 7.956 1.00 0.00 C ATOM 409 CE LYS A 30 4.613 -2.816 8.455 1.00 0.00 C ATOM 410 NZ LYS A 30 3.291 -2.173 8.286 1.00 0.00 N ATOM 0 H LYS A 30 8.031 -5.003 4.572 1.00 0.00 H new ATOM 0 HA LYS A 30 5.522 -6.039 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.070 -5.155 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.083 -6.451 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.525 -4.933 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.928 -3.544 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.585 -4.486 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.744 -4.943 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.902 -2.795 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.369 -2.256 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.335 -1.192 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.030 -2.176 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.577 -2.698 8.830 1.00 0.00 H new ATOM 423 N ALA A 31 4.823 -3.662 3.212 1.00 0.00 N ATOM 424 CA ALA A 31 4.665 -2.387 2.535 1.00 0.00 C ATOM 425 C ALA A 31 4.150 -1.345 3.529 1.00 0.00 C ATOM 426 O ALA A 31 2.980 -1.370 3.909 1.00 0.00 O ATOM 427 CB ALA A 31 3.732 -2.560 1.334 1.00 0.00 C ATOM 0 H ALA A 31 4.016 -4.283 3.146 1.00 0.00 H new ATOM 0 HA ALA A 31 5.623 -2.033 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.613 -1.603 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.159 -3.288 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.759 -2.912 1.677 1.00 0.00 H new ATOM 433 N VAL A 32 5.049 -0.455 3.924 1.00 0.00 N ATOM 434 CA VAL A 32 4.699 0.593 4.868 1.00 0.00 C ATOM 435 C VAL A 32 4.004 1.734 4.123 1.00 0.00 C ATOM 436 O VAL A 32 4.240 1.937 2.933 1.00 0.00 O ATOM 437 CB VAL A 32 5.945 1.048 5.630 1.00 0.00 C ATOM 438 CG1 VAL A 32 5.607 2.171 6.612 1.00 0.00 C ATOM 439 CG2 VAL A 32 6.609 -0.128 6.350 1.00 0.00 C ATOM 0 H VAL A 32 6.019 -0.438 3.608 1.00 0.00 H new ATOM 0 HA VAL A 32 3.998 0.217 5.613 1.00 0.00 H new ATOM 0 HB VAL A 32 6.657 1.440 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.510 2.476 7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.201 3.022 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.868 1.816 7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.492 0.224 6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.906 -0.564 7.060 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.903 -0.883 5.620 1.00 0.00 H new ATOM 449 N VAL A 33 3.161 2.449 4.853 1.00 0.00 N ATOM 450 CA VAL A 33 2.430 3.564 4.276 1.00 0.00 C ATOM 451 C VAL A 33 3.268 4.838 4.405 1.00 0.00 C ATOM 452 O VAL A 33 3.852 5.097 5.455 1.00 0.00 O ATOM 453 CB VAL A 33 1.054 3.684 4.933 1.00 0.00 C ATOM 454 CG1 VAL A 33 0.312 4.925 4.430 1.00 0.00 C ATOM 455 CG2 VAL A 33 0.225 2.419 4.703 1.00 0.00 C ATOM 0 H VAL A 33 2.968 2.278 5.840 1.00 0.00 H new ATOM 0 HA VAL A 33 2.254 3.397 3.213 1.00 0.00 H new ATOM 0 HB VAL A 33 1.204 3.796 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.663 4.986 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.892 5.817 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.179 4.856 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.749 2.530 5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.089 2.263 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.743 1.561 5.132 1.00 0.00 H new ATOM 465 N ILE A 34 3.299 5.600 3.321 1.00 0.00 N ATOM 466 CA ILE A 34 4.054 6.840 3.300 1.00 0.00 C ATOM 467 C ILE A 34 3.086 8.021 3.191 1.00 0.00 C ATOM 468 O ILE A 34 3.382 9.115 3.666 1.00 0.00 O ATOM 469 CB ILE A 34 5.110 6.806 2.192 1.00 0.00 C ATOM 470 CG1 ILE A 34 4.932 5.574 1.304 1.00 0.00 C ATOM 471 CG2 ILE A 34 6.521 6.893 2.777 1.00 0.00 C ATOM 472 CD1 ILE A 34 5.849 5.643 0.081 1.00 0.00 C ATOM 0 H ILE A 34 2.813 5.382 2.451 1.00 0.00 H new ATOM 0 HA ILE A 34 4.606 6.965 4.231 1.00 0.00 H new ATOM 0 HB ILE A 34 4.970 7.682 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.151 4.673 1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.894 5.501 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.252 6.867 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.628 7.825 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.690 6.050 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.703 4.755 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.611 6.532 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.888 5.691 0.407 1.00 0.00 H new ATOM 484 N ASN A 35 1.951 7.757 2.561 1.00 0.00 N ATOM 485 CA ASN A 35 0.938 8.783 2.384 1.00 0.00 C ATOM 486 C ASN A 35 -0.300 8.421 3.207 1.00 0.00 C ATOM 487 O ASN A 35 -1.196 7.735 2.717 1.00 0.00 O ATOM 488 CB ASN A 35 0.515 8.892 0.918 1.00 0.00 C ATOM 489 CG ASN A 35 0.002 10.298 0.598 1.00 0.00 C ATOM 490 OD1 ASN A 35 -0.475 11.023 1.455 1.00 0.00 O ATOM 491 ND2 ASN A 35 0.125 10.640 -0.681 1.00 0.00 N ATOM 0 H ASN A 35 1.711 6.847 2.167 1.00 0.00 H new ATOM 0 HA ASN A 35 1.361 9.733 2.710 1.00 0.00 H new ATOM 0 HB2 ASN A 35 1.361 8.654 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.264 8.160 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.189 11.558 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.534 9.985 -1.347 1.00 0.00 H new ATOM 498 N PRO A 36 -0.310 8.908 4.477 1.00 0.00 N ATOM 499 CA PRO A 36 -1.423 8.643 5.371 1.00 0.00 C ATOM 500 C PRO A 36 -2.641 9.490 4.999 1.00 0.00 C ATOM 501 O PRO A 36 -3.481 9.782 5.849 1.00 0.00 O ATOM 502 CB PRO A 36 -0.890 8.946 6.762 1.00 0.00 C ATOM 503 CG PRO A 36 0.344 9.810 6.556 1.00 0.00 C ATOM 504 CD PRO A 36 0.735 9.723 5.090 1.00 0.00 C ATOM 0 HA PRO A 36 -1.776 7.614 5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.636 9.467 7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.640 8.028 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.137 10.843 6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.161 9.466 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.785 10.712 4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.717 9.266 4.968 1.00 0.00 H new ATOM 512 N ASP A 37 -2.698 9.861 3.729 1.00 0.00 N ATOM 513 CA ASP A 37 -3.799 10.669 3.233 1.00 0.00 C ATOM 514 C ASP A 37 -3.675 10.816 1.715 1.00 0.00 C ATOM 515 O ASP A 37 -3.948 11.883 1.168 1.00 0.00 O ATOM 516 CB ASP A 37 -3.774 12.070 3.847 1.00 0.00 C ATOM 517 CG ASP A 37 -4.879 13.010 3.362 1.00 0.00 C ATOM 518 OD1 ASP A 37 -6.018 12.844 3.848 1.00 0.00 O ATOM 519 OD2 ASP A 37 -4.560 13.870 2.515 1.00 0.00 O ATOM 0 H ASP A 37 -1.999 9.617 3.028 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.731 10.173 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.847 11.976 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.808 12.527 3.631 1.00 0.00 H new ATOM 524 N SER A 38 -3.265 9.729 1.080 1.00 0.00 N ATOM 525 CA SER A 38 -3.103 9.723 -0.365 1.00 0.00 C ATOM 526 C SER A 38 -4.110 10.677 -1.009 1.00 0.00 C ATOM 527 O SER A 38 -3.809 11.849 -1.229 1.00 0.00 O ATOM 528 CB SER A 38 -3.269 8.312 -0.932 1.00 0.00 C ATOM 529 OG SER A 38 -4.000 8.312 -2.156 1.00 0.00 O ATOM 0 H SER A 38 -3.040 8.846 1.538 1.00 0.00 H new ATOM 0 HA SER A 38 -2.093 10.062 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.287 7.869 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.783 7.686 -0.203 1.00 0.00 H new ATOM 0 HG SER A 38 -4.792 7.742 -2.064 1.00 0.00 H new ATOM 535 N ASP A 39 -5.288 10.140 -1.292 1.00 0.00 N ATOM 536 CA ASP A 39 -6.342 10.928 -1.906 1.00 0.00 C ATOM 537 C ASP A 39 -6.104 11.003 -3.416 1.00 0.00 C ATOM 538 O ASP A 39 -6.555 11.940 -4.073 1.00 0.00 O ATOM 539 CB ASP A 39 -6.353 12.356 -1.358 1.00 0.00 C ATOM 540 CG ASP A 39 -7.741 12.927 -1.063 1.00 0.00 C ATOM 541 OD1 ASP A 39 -8.717 12.166 -1.243 1.00 0.00 O ATOM 542 OD2 ASP A 39 -7.797 14.109 -0.662 1.00 0.00 O ATOM 0 H ASP A 39 -5.535 9.168 -1.107 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.295 10.448 -1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.764 12.381 -0.441 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.854 13.008 -2.075 1.00 0.00 H new ATOM 547 N LEU A 40 -5.395 10.004 -3.921 1.00 0.00 N ATOM 548 CA LEU A 40 -5.092 9.945 -5.341 1.00 0.00 C ATOM 549 C LEU A 40 -5.698 8.672 -5.935 1.00 0.00 C ATOM 550 O LEU A 40 -6.290 7.868 -5.216 1.00 0.00 O ATOM 551 CB LEU A 40 -3.585 10.076 -5.572 1.00 0.00 C ATOM 552 CG LEU A 40 -2.687 9.563 -4.445 1.00 0.00 C ATOM 553 CD1 LEU A 40 -2.491 8.049 -4.546 1.00 0.00 C ATOM 554 CD2 LEU A 40 -1.353 10.312 -4.423 1.00 0.00 C ATOM 0 H LEU A 40 -5.022 9.229 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.546 10.787 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.330 9.540 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.354 11.127 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.184 9.761 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.849 7.710 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.458 7.551 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.026 7.805 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.733 9.928 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.839 10.167 -5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.535 11.375 -4.268 1.00 0.00 H new ATOM 566 N ASP A 41 -5.529 8.528 -7.241 1.00 0.00 N ATOM 567 CA ASP A 41 -6.051 7.367 -7.940 1.00 0.00 C ATOM 568 C ASP A 41 -4.955 6.305 -8.046 1.00 0.00 C ATOM 569 O ASP A 41 -4.709 5.767 -9.125 1.00 0.00 O ATOM 570 CB ASP A 41 -6.495 7.731 -9.358 1.00 0.00 C ATOM 571 CG ASP A 41 -7.481 6.751 -9.999 1.00 0.00 C ATOM 572 OD1 ASP A 41 -7.850 5.781 -9.303 1.00 0.00 O ATOM 573 OD2 ASP A 41 -7.843 6.995 -11.170 1.00 0.00 O ATOM 0 H ASP A 41 -5.037 9.197 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.907 6.993 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.952 8.721 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.611 7.801 -9.992 1.00 0.00 H new ATOM 578 N CYS A 42 -4.326 6.035 -6.912 1.00 0.00 N ATOM 579 CA CYS A 42 -3.261 5.047 -6.864 1.00 0.00 C ATOM 580 C CYS A 42 -3.717 3.893 -5.969 1.00 0.00 C ATOM 581 O CYS A 42 -3.252 2.764 -6.119 1.00 0.00 O ATOM 582 CB CYS A 42 -1.944 5.658 -6.382 1.00 0.00 C ATOM 583 SG CYS A 42 -1.508 5.273 -4.646 1.00 0.00 S ATOM 0 H CYS A 42 -4.533 6.483 -6.019 1.00 0.00 H new ATOM 0 HA CYS A 42 -3.064 4.671 -7.868 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.140 5.309 -7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.999 6.741 -6.496 1.00 0.00 H new ATOM 588 N VAL A 43 -4.620 4.216 -5.056 1.00 0.00 N ATOM 589 CA VAL A 43 -5.144 3.220 -4.136 1.00 0.00 C ATOM 590 C VAL A 43 -6.102 2.292 -4.886 1.00 0.00 C ATOM 591 O VAL A 43 -6.189 1.105 -4.580 1.00 0.00 O ATOM 592 CB VAL A 43 -5.798 3.909 -2.936 1.00 0.00 C ATOM 593 CG1 VAL A 43 -5.793 2.994 -1.709 1.00 0.00 C ATOM 594 CG2 VAL A 43 -5.113 5.241 -2.628 1.00 0.00 C ATOM 0 H VAL A 43 -5.003 5.153 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.336 2.604 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.836 4.118 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.263 3.507 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.347 2.082 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.765 2.740 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.597 5.710 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.062 5.065 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.191 5.899 -3.494 1.00 0.00 H new ATOM 604 N GLU A 44 -6.795 2.869 -5.857 1.00 0.00 N ATOM 605 CA GLU A 44 -7.743 2.108 -6.653 1.00 0.00 C ATOM 606 C GLU A 44 -7.001 1.148 -7.586 1.00 0.00 C ATOM 607 O GLU A 44 -7.490 0.057 -7.874 1.00 0.00 O ATOM 608 CB GLU A 44 -8.665 3.038 -7.444 1.00 0.00 C ATOM 609 CG GLU A 44 -9.708 2.239 -8.228 1.00 0.00 C ATOM 610 CD GLU A 44 -11.123 2.737 -7.922 1.00 0.00 C ATOM 611 OE1 GLU A 44 -11.610 2.416 -6.817 1.00 0.00 O ATOM 612 OE2 GLU A 44 -11.684 3.426 -8.801 1.00 0.00 O ATOM 0 H GLU A 44 -6.719 3.854 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.366 1.520 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.166 3.726 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.074 3.644 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.511 2.326 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.628 1.182 -7.975 1.00 0.00 H new ATOM 619 N GLU A 45 -5.834 1.589 -8.031 1.00 0.00 N ATOM 620 CA GLU A 45 -5.021 0.783 -8.925 1.00 0.00 C ATOM 621 C GLU A 45 -4.045 -0.081 -8.122 1.00 0.00 C ATOM 622 O GLU A 45 -3.553 -1.091 -8.618 1.00 0.00 O ATOM 623 CB GLU A 45 -4.275 1.662 -9.930 1.00 0.00 C ATOM 624 CG GLU A 45 -3.249 2.552 -9.225 1.00 0.00 C ATOM 625 CD GLU A 45 -2.921 3.786 -10.069 1.00 0.00 C ATOM 626 OE1 GLU A 45 -3.740 4.097 -10.961 1.00 0.00 O ATOM 627 OE2 GLU A 45 -1.861 4.390 -9.802 1.00 0.00 O ATOM 0 H GLU A 45 -5.432 2.495 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.681 0.123 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.772 1.034 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.987 2.283 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.638 2.863 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.338 1.984 -9.036 1.00 0.00 H new ATOM 634 N ALA A 46 -3.797 0.351 -6.894 1.00 0.00 N ATOM 635 CA ALA A 46 -2.891 -0.370 -6.016 1.00 0.00 C ATOM 636 C ALA A 46 -3.642 -1.525 -5.350 1.00 0.00 C ATOM 637 O ALA A 46 -3.042 -2.537 -4.993 1.00 0.00 O ATOM 638 CB ALA A 46 -2.288 0.599 -4.997 1.00 0.00 C ATOM 0 H ALA A 46 -4.208 1.191 -6.486 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.066 -0.799 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.608 0.058 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.740 1.382 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.086 1.048 -4.405 1.00 0.00 H new ATOM 644 N ILE A 47 -4.945 -1.333 -5.202 1.00 0.00 N ATOM 645 CA ILE A 47 -5.785 -2.345 -4.585 1.00 0.00 C ATOM 646 C ILE A 47 -6.165 -3.395 -5.632 1.00 0.00 C ATOM 647 O ILE A 47 -6.041 -4.594 -5.388 1.00 0.00 O ATOM 648 CB ILE A 47 -6.989 -1.697 -3.899 1.00 0.00 C ATOM 649 CG1 ILE A 47 -6.579 -1.037 -2.581 1.00 0.00 C ATOM 650 CG2 ILE A 47 -8.120 -2.709 -3.705 1.00 0.00 C ATOM 651 CD1 ILE A 47 -7.579 0.050 -2.178 1.00 0.00 C ATOM 0 H ILE A 47 -5.439 -0.492 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.239 -2.863 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.370 -0.909 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.519 -1.791 -1.796 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.585 -0.602 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.964 -2.222 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.436 -3.092 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.768 -3.534 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.264 0.503 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.618 0.814 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.567 -0.393 -2.055 1.00 0.00 H new ATOM 663 N ASP A 48 -6.620 -2.904 -6.776 1.00 0.00 N ATOM 664 CA ASP A 48 -7.020 -3.785 -7.861 1.00 0.00 C ATOM 665 C ASP A 48 -5.834 -4.669 -8.256 1.00 0.00 C ATOM 666 O ASP A 48 -6.010 -5.846 -8.567 1.00 0.00 O ATOM 667 CB ASP A 48 -7.443 -2.983 -9.093 1.00 0.00 C ATOM 668 CG ASP A 48 -8.734 -3.458 -9.761 1.00 0.00 C ATOM 669 OD1 ASP A 48 -8.779 -4.654 -10.123 1.00 0.00 O ATOM 670 OD2 ASP A 48 -9.648 -2.616 -9.896 1.00 0.00 O ATOM 0 H ASP A 48 -6.720 -1.909 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.861 -4.386 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.564 -1.939 -8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.637 -3.020 -9.826 1.00 0.00 H new ATOM 675 N SER A 49 -4.654 -4.068 -8.232 1.00 0.00 N ATOM 676 CA SER A 49 -3.441 -4.786 -8.584 1.00 0.00 C ATOM 677 C SER A 49 -3.041 -5.726 -7.445 1.00 0.00 C ATOM 678 O SER A 49 -2.314 -6.695 -7.662 1.00 0.00 O ATOM 679 CB SER A 49 -2.300 -3.818 -8.900 1.00 0.00 C ATOM 680 OG SER A 49 -2.482 -3.169 -10.155 1.00 0.00 O ATOM 0 H SER A 49 -4.512 -3.091 -7.974 1.00 0.00 H new ATOM 0 HA SER A 49 -3.639 -5.375 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.231 -3.069 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.355 -4.361 -8.907 1.00 0.00 H new ATOM 0 HG SER A 49 -2.892 -2.290 -10.013 1.00 0.00 H new ATOM 686 N CYS A 50 -3.531 -5.406 -6.257 1.00 0.00 N ATOM 687 CA CYS A 50 -3.233 -6.210 -5.083 1.00 0.00 C ATOM 688 C CYS A 50 -4.277 -7.323 -4.986 1.00 0.00 C ATOM 689 O CYS A 50 -5.457 -7.055 -4.760 1.00 0.00 O ATOM 690 CB CYS A 50 -3.184 -5.359 -3.812 1.00 0.00 C ATOM 691 SG CYS A 50 -3.068 -6.314 -2.253 1.00 0.00 S ATOM 0 H CYS A 50 -4.132 -4.601 -6.081 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.242 -6.652 -5.183 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.328 -4.687 -3.874 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.077 -4.735 -3.774 1.00 0.00 H new ATOM 0 HG CYS A 50 -3.031 -5.495 -1.244 1.00 0.00 H new ATOM 696 N PRO A 51 -3.794 -8.582 -5.164 1.00 0.00 N ATOM 697 CA PRO A 51 -4.673 -9.737 -5.098 1.00 0.00 C ATOM 698 C PRO A 51 -5.057 -10.053 -3.651 1.00 0.00 C ATOM 699 O PRO A 51 -6.144 -10.564 -3.390 1.00 0.00 O ATOM 700 CB PRO A 51 -3.898 -10.860 -5.765 1.00 0.00 C ATOM 701 CG PRO A 51 -2.443 -10.421 -5.763 1.00 0.00 C ATOM 702 CD PRO A 51 -2.405 -8.938 -5.433 1.00 0.00 C ATOM 0 HA PRO A 51 -5.623 -9.571 -5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.024 -11.797 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.253 -11.030 -6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.873 -10.990 -5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.986 -10.608 -6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.771 -8.741 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.001 -8.358 -6.263 1.00 0.00 H new ATOM 710 N ALA A 52 -4.142 -9.734 -2.747 1.00 0.00 N ATOM 711 CA ALA A 52 -4.370 -9.976 -1.332 1.00 0.00 C ATOM 712 C ALA A 52 -5.223 -8.845 -0.757 1.00 0.00 C ATOM 713 O ALA A 52 -5.643 -8.906 0.398 1.00 0.00 O ATOM 714 CB ALA A 52 -3.026 -10.118 -0.615 1.00 0.00 C ATOM 0 H ALA A 52 -3.241 -9.310 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.917 -10.907 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.197 -10.299 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.473 -10.955 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.449 -9.201 -0.738 1.00 0.00 H new ATOM 720 N GLU A 53 -5.453 -7.839 -1.587 1.00 0.00 N ATOM 721 CA GLU A 53 -6.249 -6.696 -1.175 1.00 0.00 C ATOM 722 C GLU A 53 -6.068 -6.436 0.322 1.00 0.00 C ATOM 723 O GLU A 53 -7.046 -6.275 1.051 1.00 0.00 O ATOM 724 CB GLU A 53 -7.725 -6.900 -1.522 1.00 0.00 C ATOM 725 CG GLU A 53 -8.376 -7.909 -0.573 1.00 0.00 C ATOM 726 CD GLU A 53 -8.838 -9.155 -1.331 1.00 0.00 C ATOM 727 OE1 GLU A 53 -8.226 -9.438 -2.385 1.00 0.00 O ATOM 728 OE2 GLU A 53 -9.792 -9.797 -0.842 1.00 0.00 O ATOM 0 H GLU A 53 -5.102 -7.792 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.900 -5.820 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.251 -5.947 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.816 -7.251 -2.550 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.666 -8.194 0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.227 -7.447 -0.073 1.00 0.00 H new ATOM 735 N ALA A 54 -4.810 -6.402 0.737 1.00 0.00 N ATOM 736 CA ALA A 54 -4.489 -6.165 2.134 1.00 0.00 C ATOM 737 C ALA A 54 -4.624 -4.672 2.437 1.00 0.00 C ATOM 738 O ALA A 54 -4.820 -4.283 3.588 1.00 0.00 O ATOM 739 CB ALA A 54 -3.085 -6.695 2.433 1.00 0.00 C ATOM 0 H ALA A 54 -4.001 -6.535 0.130 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.184 -6.698 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.844 -6.517 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.049 -7.765 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.360 -6.181 1.802 1.00 0.00 H new ATOM 745 N ILE A 55 -4.514 -3.874 1.385 1.00 0.00 N ATOM 746 CA ILE A 55 -4.622 -2.432 1.524 1.00 0.00 C ATOM 747 C ILE A 55 -6.077 -2.011 1.308 1.00 0.00 C ATOM 748 O ILE A 55 -6.697 -2.392 0.316 1.00 0.00 O ATOM 749 CB ILE A 55 -3.634 -1.728 0.592 1.00 0.00 C ATOM 750 CG1 ILE A 55 -3.738 -2.276 -0.833 1.00 0.00 C ATOM 751 CG2 ILE A 55 -2.207 -1.818 1.138 1.00 0.00 C ATOM 752 CD1 ILE A 55 -3.289 -1.231 -1.856 1.00 0.00 C ATOM 0 H ILE A 55 -4.351 -4.199 0.432 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.347 -2.125 2.533 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.897 -0.671 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.123 -3.171 -0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.767 -2.573 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.524 -1.310 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.162 -1.343 2.118 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.917 -2.865 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.373 -1.646 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.921 -0.347 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.252 -0.955 -1.663 1.00 0.00 H new ATOM 764 N VAL A 56 -6.581 -1.230 2.253 1.00 0.00 N ATOM 765 CA VAL A 56 -7.950 -0.753 2.179 1.00 0.00 C ATOM 766 C VAL A 56 -7.999 0.714 2.611 1.00 0.00 C ATOM 767 O VAL A 56 -7.072 1.208 3.250 1.00 0.00 O ATOM 768 CB VAL A 56 -8.863 -1.652 3.015 1.00 0.00 C ATOM 769 CG1 VAL A 56 -9.101 -2.992 2.316 1.00 0.00 C ATOM 770 CG2 VAL A 56 -8.294 -1.858 4.419 1.00 0.00 C ATOM 0 H VAL A 56 -6.064 -0.916 3.074 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.316 -0.803 1.154 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.826 -1.151 3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.753 -3.612 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.572 -2.819 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.148 -3.501 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.963 -2.501 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.312 -2.327 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.201 -0.894 4.919 1.00 0.00 H new ATOM 780 N ARG A 57 -9.090 1.371 2.244 1.00 0.00 N ATOM 781 CA ARG A 57 -9.272 2.771 2.585 1.00 0.00 C ATOM 782 C ARG A 57 -10.520 2.949 3.450 1.00 0.00 C ATOM 783 O ARG A 57 -11.320 3.855 3.216 1.00 0.00 O ATOM 784 CB ARG A 57 -9.404 3.632 1.327 1.00 0.00 C ATOM 785 CG ARG A 57 -10.569 3.155 0.456 1.00 0.00 C ATOM 786 CD ARG A 57 -11.165 4.314 -0.346 1.00 0.00 C ATOM 787 NE ARG A 57 -10.561 4.359 -1.695 1.00 0.00 N ATOM 788 CZ ARG A 57 -10.965 3.593 -2.731 1.00 0.00 C ATOM 789 NH1 ARG A 57 -11.979 2.714 -2.580 1.00 0.00 N ATOM 790 NH2 ARG A 57 -10.353 3.716 -3.895 1.00 0.00 N ATOM 0 H ARG A 57 -9.857 0.959 1.713 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.392 3.094 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.559 4.673 1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.477 3.591 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.224 2.377 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.339 2.709 1.085 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.245 4.194 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.987 5.256 0.173 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.791 5.009 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.446 2.625 -1.678 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.278 2.139 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.588 4.382 -4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.646 3.145 -4.688 1.00 0.00 H new ATOM 804 N SER A 58 -10.651 2.071 4.434 1.00 0.00 N ATOM 805 CA SER A 58 -11.789 2.119 5.335 1.00 0.00 C ATOM 806 C SER A 58 -12.163 3.573 5.628 1.00 0.00 C ATOM 807 O SER A 58 -12.985 4.161 4.925 1.00 0.00 O ATOM 808 CB SER A 58 -11.491 1.375 6.638 1.00 0.00 C ATOM 809 OG SER A 58 -12.609 0.611 7.084 1.00 0.00 O ATOM 810 OXT SER A 58 -11.646 4.159 6.565 1.00 1.00 O ATOM 0 H SER A 58 -9.987 1.322 4.627 1.00 0.00 H new ATOM 0 HA SER A 58 -12.631 1.625 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.636 0.715 6.491 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.211 2.092 7.409 1.00 0.00 H new ATOM 0 HG SER A 58 -12.378 0.150 7.917 1.00 0.00 H new