USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 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 1 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.25) USER MOD Single : A 1 ASN N :NH3+ -161:sc= 0 (180deg=-0.515) USER MOD Single : A 5 ASN : amide:sc= -3.92! C(o=-3.9!,f=-8.1!) USER MOD Single : A 8 ASN : amide:sc= 0.087 K(o=0.087,f=-10!) USER MOD Single : A 10 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.7!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 10:sc= 0.813 USER MOD Single : A 35 TYR OH : rot -27:sc= -1.73 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0524 USER MOD Single : A 49 ASN : amide:sc= -0.0515 K(o=-0.051,f=-0.7) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.32) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 1.223 -1.004 -0.630 1.00 0.00 N ATOM 2 CA ASN A 1 2.097 -0.557 -1.709 1.00 0.00 C ATOM 3 C ASN A 1 3.523 -0.357 -1.206 1.00 0.00 C ATOM 4 O ASN A 1 3.756 -0.217 -0.005 1.00 0.00 O ATOM 5 CB ASN A 1 1.570 0.745 -2.314 1.00 0.00 C ATOM 6 CG ASN A 1 0.056 0.773 -2.400 1.00 0.00 C ATOM 7 OD1 ASN A 1 -0.600 1.570 -1.730 1.00 0.00 O ATOM 8 ND2 ASN A 1 -0.506 -0.102 -3.227 1.00 0.00 N ATOM 0 H1 ASN A 1 0.367 -1.436 -1.033 1.00 0.00 H new ATOM 0 H2 ASN A 1 1.723 -1.705 -0.046 1.00 0.00 H new ATOM 0 H3 ASN A 1 0.955 -0.190 -0.040 1.00 0.00 H new ATOM 0 HA ASN A 1 2.107 -1.329 -2.478 1.00 0.00 H new ATOM 0 HB2 ASN A 1 1.912 1.587 -1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 1 1.990 0.875 -3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -1.521 -0.131 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.077 -0.744 -3.763 1.00 0.00 H new ATOM 15 N CYS A 2 4.475 -0.344 -2.133 1.00 0.00 N ATOM 16 CA CYS A 2 5.879 -0.161 -1.786 1.00 0.00 C ATOM 17 C CYS A 2 6.549 0.829 -2.735 1.00 0.00 C ATOM 18 O CYS A 2 5.929 1.319 -3.678 1.00 0.00 O ATOM 19 CB CYS A 2 6.615 -1.501 -1.826 1.00 0.00 C ATOM 20 SG CYS A 2 7.594 -1.857 -0.332 1.00 0.00 S ATOM 0 H CYS A 2 4.299 -0.458 -3.131 1.00 0.00 H new ATOM 0 HA CYS A 2 5.928 0.242 -0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.887 -2.299 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 2 7.276 -1.514 -2.692 1.00 0.00 H new ATOM 25 N VAL A 3 7.821 1.118 -2.477 1.00 0.00 N ATOM 26 CA VAL A 3 8.577 2.048 -3.308 1.00 0.00 C ATOM 27 C VAL A 3 9.769 1.357 -3.960 1.00 0.00 C ATOM 28 O VAL A 3 10.407 0.495 -3.357 1.00 0.00 O ATOM 29 CB VAL A 3 9.080 3.251 -2.488 1.00 0.00 C ATOM 30 CG1 VAL A 3 9.913 4.180 -3.359 1.00 0.00 C ATOM 31 CG2 VAL A 3 7.910 3.998 -1.866 1.00 0.00 C ATOM 0 H VAL A 3 8.349 0.722 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 3 7.899 2.404 -4.083 1.00 0.00 H new ATOM 0 HB VAL A 3 9.714 2.880 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.260 5.024 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.772 3.637 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.305 4.546 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.284 4.845 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.248 4.358 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.358 3.327 -1.208 1.00 0.00 H new ATOM 41 N ALA A 4 10.065 1.743 -5.197 1.00 0.00 N ATOM 42 CA ALA A 4 11.182 1.163 -5.932 1.00 0.00 C ATOM 43 C ALA A 4 12.230 2.220 -6.262 1.00 0.00 C ATOM 44 O ALA A 4 11.900 3.313 -6.720 1.00 0.00 O ATOM 45 CB ALA A 4 10.686 0.493 -7.205 1.00 0.00 C ATOM 0 H ALA A 4 9.546 2.455 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 4 11.650 0.410 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.531 0.064 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.980 -0.297 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.191 1.231 -7.836 1.00 0.00 H new ATOM 51 N ASN A 5 13.495 1.887 -6.026 1.00 0.00 N ATOM 52 CA ASN A 5 14.592 2.809 -6.297 1.00 0.00 C ATOM 53 C ASN A 5 15.738 2.096 -7.007 1.00 0.00 C ATOM 54 O ASN A 5 16.002 0.920 -6.756 1.00 0.00 O ATOM 55 CB ASN A 5 15.094 3.434 -4.994 1.00 0.00 C ATOM 56 CG ASN A 5 14.224 4.588 -4.534 1.00 0.00 C ATOM 57 OD1 ASN A 5 13.336 5.038 -5.258 1.00 0.00 O ATOM 58 ND2 ASN A 5 14.477 5.074 -3.324 1.00 0.00 N ATOM 0 H ASN A 5 13.786 0.985 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 5 14.218 3.598 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 5 15.123 2.671 -4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 5 16.116 3.786 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.925 5.851 -2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 5 15.223 4.670 -2.758 1.00 0.00 H new ATOM 65 N ILE A 6 16.416 2.816 -7.895 1.00 0.00 N ATOM 66 CA ILE A 6 17.536 2.253 -8.640 1.00 0.00 C ATOM 67 C ILE A 6 18.845 2.943 -8.270 1.00 0.00 C ATOM 68 O ILE A 6 18.908 4.169 -8.175 1.00 0.00 O ATOM 69 CB ILE A 6 17.317 2.373 -10.160 1.00 0.00 C ATOM 70 CG1 ILE A 6 15.965 1.774 -10.551 1.00 0.00 C ATOM 71 CG2 ILE A 6 18.446 1.685 -10.913 1.00 0.00 C ATOM 72 CD1 ILE A 6 15.972 0.263 -10.624 1.00 0.00 C ATOM 0 H ILE A 6 16.209 3.790 -8.116 1.00 0.00 H new ATOM 0 HA ILE A 6 17.596 1.198 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 6 17.317 3.429 -10.431 1.00 0.00 H new ATOM 0 HG12 ILE A 6 15.213 2.091 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.665 2.175 -11.519 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.277 1.778 -11.986 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.395 2.153 -10.653 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.475 0.630 -10.641 1.00 0.00 H new ATOM 0 HD11 ILE A 6 14.981 -0.092 -10.906 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.700 -0.062 -11.368 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.241 -0.147 -9.650 1.00 0.00 H new ATOM 84 N LEU A 7 19.888 2.146 -8.063 1.00 0.00 N ATOM 85 CA LEU A 7 21.198 2.679 -7.704 1.00 0.00 C ATOM 86 C LEU A 7 22.228 2.364 -8.784 1.00 0.00 C ATOM 87 O LEU A 7 22.092 1.386 -9.518 1.00 0.00 O ATOM 88 CB LEU A 7 21.655 2.103 -6.363 1.00 0.00 C ATOM 89 CG LEU A 7 20.593 2.035 -5.265 1.00 0.00 C ATOM 90 CD1 LEU A 7 20.486 0.622 -4.713 1.00 0.00 C ATOM 91 CD2 LEU A 7 20.913 3.022 -4.151 1.00 0.00 C ATOM 0 H LEU A 7 19.852 1.129 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 7 21.111 3.762 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 7 22.037 1.097 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 7 22.489 2.703 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 7 19.631 2.307 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.725 0.593 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.209 -0.062 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.447 0.321 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 7 20.147 2.960 -3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.884 2.781 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.938 4.033 -4.557 1.00 0.00 H new ATOM 103 N ASN A 8 23.259 3.197 -8.872 1.00 0.00 N ATOM 104 CA ASN A 8 24.314 3.006 -9.861 1.00 0.00 C ATOM 105 C ASN A 8 25.442 2.150 -9.294 1.00 0.00 C ATOM 106 O ASN A 8 25.300 1.541 -8.233 1.00 0.00 O ATOM 107 CB ASN A 8 24.864 4.358 -10.318 1.00 0.00 C ATOM 108 CG ASN A 8 25.671 5.050 -9.236 1.00 0.00 C ATOM 109 OD1 ASN A 8 25.634 4.655 -8.071 1.00 0.00 O ATOM 110 ND2 ASN A 8 26.406 6.088 -9.618 1.00 0.00 N ATOM 0 H ASN A 8 23.387 4.011 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 8 23.885 2.488 -10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 8 25.490 4.213 -11.198 1.00 0.00 H new ATOM 0 HB3 ASN A 8 24.037 5.001 -10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 8 26.970 6.593 -8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 8 26.406 6.381 -10.595 1.00 0.00 H new ATOM 117 N ILE A 9 26.563 2.110 -10.007 1.00 0.00 N ATOM 118 CA ILE A 9 27.716 1.331 -9.574 1.00 0.00 C ATOM 119 C ILE A 9 28.164 1.743 -8.176 1.00 0.00 C ATOM 120 O ILE A 9 28.706 0.934 -7.424 1.00 0.00 O ATOM 121 CB ILE A 9 28.899 1.488 -10.547 1.00 0.00 C ATOM 122 CG1 ILE A 9 28.546 0.898 -11.914 1.00 0.00 C ATOM 123 CG2 ILE A 9 30.143 0.820 -9.981 1.00 0.00 C ATOM 124 CD1 ILE A 9 28.480 -0.614 -11.920 1.00 0.00 C ATOM 0 H ILE A 9 26.697 2.608 -10.887 1.00 0.00 H new ATOM 0 HA ILE A 9 27.404 0.287 -9.560 1.00 0.00 H new ATOM 0 HB ILE A 9 29.107 2.550 -10.674 1.00 0.00 H new ATOM 0 HG12 ILE A 9 27.584 1.297 -12.236 1.00 0.00 H new ATOM 0 HG13 ILE A 9 29.287 1.224 -12.644 1.00 0.00 H new ATOM 0 HG21 ILE A 9 30.970 0.940 -10.680 1.00 0.00 H new ATOM 0 HG22 ILE A 9 30.403 1.282 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE A 9 29.948 -0.241 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 9 28.225 -0.963 -12.921 1.00 0.00 H new ATOM 0 HD12 ILE A 9 29.448 -1.022 -11.629 1.00 0.00 H new ATOM 0 HD13 ILE A 9 27.719 -0.948 -11.215 1.00 0.00 H new ATOM 136 N ASN A 10 27.933 3.006 -7.835 1.00 0.00 N ATOM 137 CA ASN A 10 28.311 3.526 -6.526 1.00 0.00 C ATOM 138 C ASN A 10 27.157 3.402 -5.536 1.00 0.00 C ATOM 139 O ASN A 10 27.120 4.096 -4.521 1.00 0.00 O ATOM 140 CB ASN A 10 28.744 4.989 -6.640 1.00 0.00 C ATOM 141 CG ASN A 10 29.559 5.446 -5.446 1.00 0.00 C ATOM 142 OD1 ASN A 10 30.033 4.631 -4.655 1.00 0.00 O ATOM 143 ND2 ASN A 10 29.726 6.757 -5.310 1.00 0.00 N ATOM 0 H ASN A 10 27.486 3.689 -8.447 1.00 0.00 H new ATOM 0 HA ASN A 10 29.148 2.934 -6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 10 29.331 5.121 -7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 10 27.860 5.620 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 10 30.265 7.124 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 10 29.315 7.397 -5.990 1.00 0.00 H new ATOM 150 N GLU A 11 26.216 2.513 -5.841 1.00 0.00 N ATOM 151 CA GLU A 11 25.061 2.298 -4.978 1.00 0.00 C ATOM 152 C GLU A 11 24.364 3.619 -4.664 1.00 0.00 C ATOM 153 O GLU A 11 23.757 3.776 -3.605 1.00 0.00 O ATOM 154 CB GLU A 11 25.487 1.612 -3.678 1.00 0.00 C ATOM 155 CG GLU A 11 26.198 0.287 -3.894 1.00 0.00 C ATOM 156 CD GLU A 11 25.958 -0.694 -2.763 1.00 0.00 C ATOM 157 OE1 GLU A 11 25.514 -0.257 -1.681 1.00 0.00 O ATOM 158 OE2 GLU A 11 26.215 -1.901 -2.961 1.00 0.00 O ATOM 0 H GLU A 11 26.231 1.931 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 11 24.360 1.653 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 11 26.144 2.281 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 11 24.605 1.445 -3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.859 -0.155 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 11 27.269 0.465 -3.994 1.00 0.00 H new ATOM 165 N ALA A 12 24.456 4.565 -5.592 1.00 0.00 N ATOM 166 CA ALA A 12 23.834 5.872 -5.416 1.00 0.00 C ATOM 167 C ALA A 12 22.480 5.933 -6.116 1.00 0.00 C ATOM 168 O ALA A 12 22.366 5.616 -7.299 1.00 0.00 O ATOM 169 CB ALA A 12 24.750 6.968 -5.939 1.00 0.00 C ATOM 0 H ALA A 12 24.955 4.451 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 12 23.671 6.029 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 12 24.272 7.938 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 12 25.692 6.946 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 12 24.942 6.806 -7.000 1.00 0.00 H new ATOM 175 N VAL A 13 21.455 6.344 -5.375 1.00 0.00 N ATOM 176 CA VAL A 13 20.108 6.448 -5.924 1.00 0.00 C ATOM 177 C VAL A 13 20.092 7.310 -7.181 1.00 0.00 C ATOM 178 O VAL A 13 20.248 8.530 -7.111 1.00 0.00 O ATOM 179 CB VAL A 13 19.127 7.040 -4.896 1.00 0.00 C ATOM 180 CG1 VAL A 13 17.845 7.491 -5.579 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.829 6.028 -3.800 1.00 0.00 C ATOM 0 H VAL A 13 21.532 6.610 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 13 19.790 5.436 -6.177 1.00 0.00 H new ATOM 0 HB VAL A 13 19.592 7.912 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.164 7.907 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.078 8.252 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.373 6.638 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 13 18.134 6.463 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.384 5.135 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.755 5.759 -3.291 1.00 0.00 H new ATOM 191 N ILE A 14 19.903 6.670 -8.330 1.00 0.00 N ATOM 192 CA ILE A 14 19.865 7.379 -9.602 1.00 0.00 C ATOM 193 C ILE A 14 18.444 7.447 -10.152 1.00 0.00 C ATOM 194 O ILE A 14 18.127 8.302 -10.977 1.00 0.00 O ATOM 195 CB ILE A 14 20.776 6.709 -10.648 1.00 0.00 C ATOM 196 CG1 ILE A 14 20.560 5.194 -10.649 1.00 0.00 C ATOM 197 CG2 ILE A 14 22.234 7.041 -10.369 1.00 0.00 C ATOM 198 CD1 ILE A 14 21.444 4.459 -11.632 1.00 0.00 C ATOM 0 H ILE A 14 19.774 5.661 -8.406 1.00 0.00 H new ATOM 0 HA ILE A 14 20.227 8.389 -9.410 1.00 0.00 H new ATOM 0 HB ILE A 14 20.517 7.094 -11.634 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.745 4.808 -9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.516 4.984 -10.883 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.866 6.561 -11.116 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.376 8.121 -10.413 1.00 0.00 H new ATOM 0 HG23 ILE A 14 22.506 6.680 -9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.237 3.390 -11.579 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.242 4.818 -12.641 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.490 4.639 -11.385 1.00 0.00 H new ATOM 210 N ALA A 15 17.592 6.539 -9.687 1.00 0.00 N ATOM 211 CA ALA A 15 16.203 6.498 -10.128 1.00 0.00 C ATOM 212 C ALA A 15 15.262 6.236 -8.957 1.00 0.00 C ATOM 213 O ALA A 15 15.667 5.687 -7.932 1.00 0.00 O ATOM 214 CB ALA A 15 16.022 5.434 -11.201 1.00 0.00 C ATOM 0 H ALA A 15 17.839 5.822 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 15 15.953 7.471 -10.550 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.980 5.414 -11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.660 5.665 -12.054 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.296 4.459 -10.797 1.00 0.00 H new ATOM 220 N THR A 16 14.003 6.633 -9.115 1.00 0.00 N ATOM 221 CA THR A 16 13.005 6.443 -8.071 1.00 0.00 C ATOM 222 C THR A 16 11.622 6.211 -8.668 1.00 0.00 C ATOM 223 O THR A 16 11.320 6.683 -9.763 1.00 0.00 O ATOM 224 CB THR A 16 12.946 7.656 -7.123 1.00 0.00 C ATOM 225 OG1 THR A 16 12.855 8.866 -7.882 1.00 0.00 O ATOM 226 CG2 THR A 16 14.175 7.703 -6.228 1.00 0.00 C ATOM 0 H THR A 16 13.651 7.088 -9.957 1.00 0.00 H new ATOM 0 HA THR A 16 13.305 5.562 -7.504 1.00 0.00 H new ATOM 0 HB THR A 16 12.062 7.555 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.816 9.632 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.111 8.568 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.225 6.793 -5.630 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.071 7.782 -6.844 1.00 0.00 H new ATOM 234 N GLY A 17 10.782 5.481 -7.939 1.00 0.00 N ATOM 235 CA GLY A 17 9.440 5.200 -8.413 1.00 0.00 C ATOM 236 C GLY A 17 8.588 4.509 -7.367 1.00 0.00 C ATOM 237 O GLY A 17 9.102 4.023 -6.359 1.00 0.00 O ATOM 0 H GLY A 17 11.008 5.080 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.960 6.133 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.496 4.573 -9.303 1.00 0.00 H new ATOM 241 N CYS A 18 7.281 4.466 -7.604 1.00 0.00 N ATOM 242 CA CYS A 18 6.355 3.833 -6.674 1.00 0.00 C ATOM 243 C CYS A 18 5.761 2.563 -7.277 1.00 0.00 C ATOM 244 O CYS A 18 5.271 2.570 -8.406 1.00 0.00 O ATOM 245 CB CYS A 18 5.234 4.803 -6.297 1.00 0.00 C ATOM 246 SG CYS A 18 5.129 5.162 -4.514 1.00 0.00 S ATOM 0 H CYS A 18 6.839 4.863 -8.433 1.00 0.00 H new ATOM 0 HA CYS A 18 6.910 3.563 -5.776 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.381 5.738 -6.837 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.282 4.389 -6.630 1.00 0.00 H new ATOM 251 N VAL A 19 5.810 1.474 -6.516 1.00 0.00 N ATOM 252 CA VAL A 19 5.276 0.197 -6.975 1.00 0.00 C ATOM 253 C VAL A 19 4.119 -0.263 -6.095 1.00 0.00 C ATOM 254 O VAL A 19 4.193 -0.238 -4.866 1.00 0.00 O ATOM 255 CB VAL A 19 6.364 -0.894 -6.986 1.00 0.00 C ATOM 256 CG1 VAL A 19 5.792 -2.213 -7.485 1.00 0.00 C ATOM 257 CG2 VAL A 19 7.546 -0.459 -7.839 1.00 0.00 C ATOM 0 H VAL A 19 6.214 1.451 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 19 4.916 0.351 -7.992 1.00 0.00 H new ATOM 0 HB VAL A 19 6.717 -1.041 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.575 -2.972 -7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.981 -2.529 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.410 -2.084 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.305 -1.241 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.212 -0.283 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.970 0.459 -7.432 1.00 0.00 H new ATOM 267 N PRO A 20 3.023 -0.695 -6.736 1.00 0.00 N ATOM 268 CA PRO A 20 1.829 -1.170 -6.031 1.00 0.00 C ATOM 269 C PRO A 20 2.063 -2.503 -5.329 1.00 0.00 C ATOM 270 O PRO A 20 3.182 -3.014 -5.302 1.00 0.00 O ATOM 271 CB PRO A 20 0.796 -1.328 -7.150 1.00 0.00 C ATOM 272 CG PRO A 20 1.604 -1.550 -8.382 1.00 0.00 C ATOM 273 CD PRO A 20 2.866 -0.753 -8.199 1.00 0.00 C ATOM 0 HA PRO A 20 1.521 -0.484 -5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.129 -2.168 -6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.171 -0.439 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.827 -2.608 -8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.061 -1.223 -9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.719 -1.236 -8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.779 0.243 -8.634 1.00 0.00 H new ATOM 281 N ALA A 21 0.999 -3.062 -4.762 1.00 0.00 N ATOM 282 CA ALA A 21 1.088 -4.337 -4.061 1.00 0.00 C ATOM 283 C ALA A 21 0.895 -5.506 -5.022 1.00 0.00 C ATOM 284 O ALA A 21 -0.155 -5.639 -5.649 1.00 0.00 O ATOM 285 CB ALA A 21 0.061 -4.397 -2.941 1.00 0.00 C ATOM 0 H ALA A 21 0.065 -2.652 -4.774 1.00 0.00 H new ATOM 0 HA ALA A 21 2.085 -4.417 -3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.139 -5.355 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.247 -3.589 -2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.940 -4.291 -3.359 1.00 0.00 H new ATOM 291 N GLY A 22 1.916 -6.350 -5.133 1.00 0.00 N ATOM 292 CA GLY A 22 1.838 -7.496 -6.020 1.00 0.00 C ATOM 293 C GLY A 22 1.935 -7.106 -7.481 1.00 0.00 C ATOM 294 O GLY A 22 1.770 -7.943 -8.367 1.00 0.00 O ATOM 0 H GLY A 22 2.796 -6.261 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.641 -8.193 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.898 -8.021 -5.849 1.00 0.00 H new ATOM 298 N GLY A 23 2.201 -5.828 -7.735 1.00 0.00 N ATOM 299 CA GLY A 23 2.313 -5.350 -9.100 1.00 0.00 C ATOM 300 C GLY A 23 3.743 -5.028 -9.487 1.00 0.00 C ATOM 301 O GLY A 23 4.685 -5.542 -8.886 1.00 0.00 O ATOM 0 H GLY A 23 2.341 -5.115 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.917 -6.105 -9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.698 -4.458 -9.221 1.00 0.00 H new ATOM 305 N GLU A 24 3.904 -4.175 -10.494 1.00 0.00 N ATOM 306 CA GLU A 24 5.230 -3.787 -10.960 1.00 0.00 C ATOM 307 C GLU A 24 5.172 -2.474 -11.735 1.00 0.00 C ATOM 308 O GLU A 24 4.208 -2.205 -12.452 1.00 0.00 O ATOM 309 CB GLU A 24 5.827 -4.886 -11.842 1.00 0.00 C ATOM 310 CG GLU A 24 5.045 -5.131 -13.122 1.00 0.00 C ATOM 311 CD GLU A 24 3.783 -5.938 -12.889 1.00 0.00 C ATOM 312 OE1 GLU A 24 3.787 -6.798 -11.984 1.00 0.00 O ATOM 313 OE2 GLU A 24 2.790 -5.709 -13.612 1.00 0.00 O ATOM 0 H GLU A 24 3.134 -3.740 -11.002 1.00 0.00 H new ATOM 0 HA GLU A 24 5.867 -3.646 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.852 -4.618 -12.098 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.873 -5.813 -11.271 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.782 -4.173 -13.571 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.680 -5.655 -13.837 1.00 0.00 H new ATOM 320 N LEU A 25 6.211 -1.659 -11.585 1.00 0.00 N ATOM 321 CA LEU A 25 6.279 -0.373 -12.270 1.00 0.00 C ATOM 322 C LEU A 25 7.644 -0.174 -12.921 1.00 0.00 C ATOM 323 O LEU A 25 8.658 -0.659 -12.419 1.00 0.00 O ATOM 324 CB LEU A 25 5.999 0.766 -11.287 1.00 0.00 C ATOM 325 CG LEU A 25 4.879 1.730 -11.679 1.00 0.00 C ATOM 326 CD1 LEU A 25 3.695 1.584 -10.736 1.00 0.00 C ATOM 327 CD2 LEU A 25 5.387 3.165 -11.682 1.00 0.00 C ATOM 0 H LEU A 25 7.017 -1.866 -10.995 1.00 0.00 H new ATOM 0 HA LEU A 25 5.520 -0.365 -13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.754 0.331 -10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.916 1.340 -11.156 1.00 0.00 H new ATOM 0 HG LEU A 25 4.547 1.481 -12.687 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.908 2.278 -11.030 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.316 0.563 -10.784 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.012 1.806 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.576 3.837 -11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.746 3.426 -10.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.203 3.261 -12.398 1.00 0.00 H new ATOM 339 N ARG A 26 7.662 0.544 -14.039 1.00 0.00 N ATOM 340 CA ARG A 26 8.902 0.808 -14.758 1.00 0.00 C ATOM 341 C ARG A 26 9.461 2.180 -14.393 1.00 0.00 C ATOM 342 O ARG A 26 8.861 3.209 -14.708 1.00 0.00 O ATOM 343 CB ARG A 26 8.670 0.724 -16.267 1.00 0.00 C ATOM 344 CG ARG A 26 9.913 1.013 -17.092 1.00 0.00 C ATOM 345 CD ARG A 26 9.720 0.619 -18.548 1.00 0.00 C ATOM 346 NE ARG A 26 10.975 0.224 -19.180 1.00 0.00 N ATOM 347 CZ ARG A 26 11.539 -0.967 -19.012 1.00 0.00 C ATOM 348 NH1 ARG A 26 10.962 -1.874 -18.237 1.00 0.00 N ATOM 349 NH2 ARG A 26 12.683 -1.252 -19.621 1.00 0.00 N ATOM 0 H ARG A 26 6.831 0.953 -14.467 1.00 0.00 H new ATOM 0 HA ARG A 26 9.629 0.050 -14.467 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.304 -0.272 -16.515 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.887 1.430 -16.545 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.153 2.074 -17.030 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.761 0.469 -16.676 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.009 -0.205 -18.609 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.286 1.456 -19.095 1.00 0.00 H new ATOM 0 HE ARG A 26 11.444 0.899 -19.783 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.082 -1.659 -17.768 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.397 -2.788 -18.110 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.130 -0.556 -20.218 1.00 0.00 H new ATOM 0 HH22 ARG A 26 13.116 -2.167 -19.492 1.00 0.00 H new ATOM 363 N ILE A 27 10.611 2.188 -13.728 1.00 0.00 N ATOM 364 CA ILE A 27 11.250 3.433 -13.322 1.00 0.00 C ATOM 365 C ILE A 27 12.227 3.922 -14.385 1.00 0.00 C ATOM 366 O ILE A 27 12.851 3.123 -15.084 1.00 0.00 O ATOM 367 CB ILE A 27 11.999 3.272 -11.986 1.00 0.00 C ATOM 368 CG1 ILE A 27 11.065 2.701 -10.918 1.00 0.00 C ATOM 369 CG2 ILE A 27 12.574 4.607 -11.537 1.00 0.00 C ATOM 370 CD1 ILE A 27 11.761 2.389 -9.611 1.00 0.00 C ATOM 0 H ILE A 27 11.119 1.346 -13.459 1.00 0.00 H new ATOM 0 HA ILE A 27 10.456 4.169 -13.197 1.00 0.00 H new ATOM 0 HB ILE A 27 12.824 2.574 -12.130 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.261 3.413 -10.731 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.602 1.791 -11.300 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.100 4.477 -10.591 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.269 4.976 -12.291 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.765 5.326 -11.406 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.038 1.988 -8.901 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.547 1.653 -9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.200 3.301 -9.206 1.00 0.00 H new ATOM 382 N PHE A 28 12.357 5.240 -14.501 1.00 0.00 N ATOM 383 CA PHE A 28 13.260 5.836 -15.479 1.00 0.00 C ATOM 384 C PHE A 28 14.655 6.022 -14.888 1.00 0.00 C ATOM 385 O PHE A 28 14.836 6.751 -13.913 1.00 0.00 O ATOM 386 CB PHE A 28 12.712 7.182 -15.956 1.00 0.00 C ATOM 387 CG PHE A 28 11.225 7.183 -16.170 1.00 0.00 C ATOM 388 CD1 PHE A 28 10.628 6.229 -16.978 1.00 0.00 C ATOM 389 CD2 PHE A 28 10.425 8.136 -15.562 1.00 0.00 C ATOM 390 CE1 PHE A 28 9.260 6.227 -17.177 1.00 0.00 C ATOM 391 CE2 PHE A 28 9.056 8.140 -15.757 1.00 0.00 C ATOM 392 CZ PHE A 28 8.473 7.183 -16.565 1.00 0.00 C ATOM 0 H PHE A 28 11.849 5.915 -13.930 1.00 0.00 H new ATOM 0 HA PHE A 28 13.332 5.159 -16.330 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.966 7.949 -15.224 1.00 0.00 H new ATOM 0 HB3 PHE A 28 13.205 7.456 -16.889 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.238 5.478 -17.458 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.876 8.885 -14.928 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.807 5.479 -17.810 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.444 8.890 -15.278 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.404 7.182 -16.718 1.00 0.00 H new ATOM 402 N VAL A 29 15.638 5.357 -15.487 1.00 0.00 N ATOM 403 CA VAL A 29 17.016 5.448 -15.021 1.00 0.00 C ATOM 404 C VAL A 29 17.933 5.974 -16.120 1.00 0.00 C ATOM 405 O VAL A 29 18.779 5.247 -16.638 1.00 0.00 O ATOM 406 CB VAL A 29 17.539 4.081 -14.543 1.00 0.00 C ATOM 407 CG1 VAL A 29 18.885 4.236 -13.850 1.00 0.00 C ATOM 408 CG2 VAL A 29 16.528 3.418 -13.619 1.00 0.00 C ATOM 0 H VAL A 29 15.505 4.750 -16.296 1.00 0.00 H new ATOM 0 HA VAL A 29 17.021 6.144 -14.182 1.00 0.00 H new ATOM 0 HB VAL A 29 17.677 3.440 -15.414 1.00 0.00 H new ATOM 0 HG11 VAL A 29 19.239 3.259 -13.519 1.00 0.00 H new ATOM 0 HG12 VAL A 29 19.605 4.666 -14.546 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.777 4.894 -12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.914 2.453 -13.290 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.356 4.055 -12.751 1.00 0.00 H new ATOM 0 HG23 VAL A 29 15.589 3.271 -14.153 1.00 0.00 H new ATOM 464 N SER A 34 15.282 2.686 -18.521 1.00 0.00 N ATOM 465 CA SER A 34 14.294 2.378 -17.493 1.00 0.00 C ATOM 466 C SER A 34 14.303 0.889 -17.160 1.00 0.00 C ATOM 467 O SER A 34 14.664 0.057 -17.993 1.00 0.00 O ATOM 468 CB SER A 34 12.898 2.800 -17.956 1.00 0.00 C ATOM 469 OG SER A 34 12.924 3.267 -19.294 1.00 0.00 O ATOM 0 HA SER A 34 14.555 2.935 -16.593 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.214 1.955 -17.876 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.516 3.583 -17.301 1.00 0.00 H new ATOM 0 HG SER A 34 13.798 3.072 -19.692 1.00 0.00 H new ATOM 475 N TYR A 35 13.904 0.562 -15.936 1.00 0.00 N ATOM 476 CA TYR A 35 13.868 -0.826 -15.490 1.00 0.00 C ATOM 477 C TYR A 35 12.562 -1.131 -14.763 1.00 0.00 C ATOM 478 O TYR A 35 12.064 -0.314 -13.986 1.00 0.00 O ATOM 479 CB TYR A 35 15.056 -1.120 -14.572 1.00 0.00 C ATOM 480 CG TYR A 35 16.201 -1.820 -15.269 1.00 0.00 C ATOM 481 CD1 TYR A 35 15.985 -2.971 -16.016 1.00 0.00 C ATOM 482 CD2 TYR A 35 17.498 -1.331 -15.179 1.00 0.00 C ATOM 483 CE1 TYR A 35 17.027 -3.615 -16.654 1.00 0.00 C ATOM 484 CE2 TYR A 35 18.547 -1.968 -15.815 1.00 0.00 C ATOM 485 CZ TYR A 35 18.306 -3.109 -16.551 1.00 0.00 C ATOM 486 OH TYR A 35 19.348 -3.747 -17.184 1.00 0.00 O ATOM 0 H TYR A 35 13.601 1.238 -15.235 1.00 0.00 H new ATOM 0 HA TYR A 35 13.931 -1.465 -16.371 1.00 0.00 H new ATOM 0 HB2 TYR A 35 15.418 -0.183 -14.149 1.00 0.00 H new ATOM 0 HB3 TYR A 35 14.717 -1.736 -13.739 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.985 -3.369 -16.099 1.00 0.00 H new ATOM 0 HD2 TYR A 35 17.690 -0.438 -14.602 1.00 0.00 H new ATOM 0 HE1 TYR A 35 16.841 -4.509 -17.230 1.00 0.00 H new ATOM 0 HE2 TYR A 35 19.550 -1.574 -15.736 1.00 0.00 H new ATOM 0 HH TYR A 35 19.139 -4.700 -17.280 1.00 0.00 H new ATOM 496 N LEU A 36 12.012 -2.312 -15.019 1.00 0.00 N ATOM 497 CA LEU A 36 10.763 -2.728 -14.389 1.00 0.00 C ATOM 498 C LEU A 36 11.021 -3.325 -13.010 1.00 0.00 C ATOM 499 O LEU A 36 11.880 -4.193 -12.849 1.00 0.00 O ATOM 500 CB LEU A 36 10.039 -3.747 -15.271 1.00 0.00 C ATOM 501 CG LEU A 36 8.714 -4.284 -14.727 1.00 0.00 C ATOM 502 CD1 LEU A 36 7.793 -3.138 -14.340 1.00 0.00 C ATOM 503 CD2 LEU A 36 8.044 -5.187 -15.751 1.00 0.00 C ATOM 0 H LEU A 36 12.411 -2.999 -15.659 1.00 0.00 H new ATOM 0 HA LEU A 36 10.133 -1.846 -14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.851 -3.289 -16.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.708 -4.591 -15.441 1.00 0.00 H new ATOM 0 HG LEU A 36 8.922 -4.873 -13.834 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.855 -3.539 -13.955 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.271 -2.531 -13.571 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.592 -2.521 -15.216 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.103 -5.560 -15.347 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.849 -4.622 -16.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.699 -6.028 -15.979 1.00 0.00 H new ATOM 515 N ILE A 37 10.272 -2.855 -12.018 1.00 0.00 N ATOM 516 CA ILE A 37 10.418 -3.345 -10.653 1.00 0.00 C ATOM 517 C ILE A 37 9.108 -3.931 -10.136 1.00 0.00 C ATOM 518 O ILE A 37 8.109 -3.224 -10.004 1.00 0.00 O ATOM 519 CB ILE A 37 10.879 -2.227 -9.700 1.00 0.00 C ATOM 520 CG1 ILE A 37 12.061 -1.466 -10.304 1.00 0.00 C ATOM 521 CG2 ILE A 37 11.253 -2.807 -8.344 1.00 0.00 C ATOM 522 CD1 ILE A 37 13.306 -2.310 -10.460 1.00 0.00 C ATOM 0 H ILE A 37 9.558 -2.136 -12.134 1.00 0.00 H new ATOM 0 HA ILE A 37 11.178 -4.126 -10.678 1.00 0.00 H new ATOM 0 HB ILE A 37 10.055 -1.528 -9.560 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.771 -1.076 -11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.291 -0.607 -9.673 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.577 -2.004 -7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.387 -3.308 -7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.064 -3.525 -8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 37 14.103 -1.706 -10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 37 13.620 -2.679 -9.484 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.093 -3.155 -11.115 1.00 0.00 H new ATOM 534 N LYS A 38 9.121 -5.227 -9.843 1.00 0.00 N ATOM 535 CA LYS A 38 7.936 -5.909 -9.337 1.00 0.00 C ATOM 536 C LYS A 38 7.991 -6.040 -7.818 1.00 0.00 C ATOM 537 O LYS A 38 8.954 -6.572 -7.266 1.00 0.00 O ATOM 538 CB LYS A 38 7.808 -7.294 -9.975 1.00 0.00 C ATOM 539 CG LYS A 38 6.715 -8.149 -9.358 1.00 0.00 C ATOM 540 CD LYS A 38 6.303 -9.281 -10.284 1.00 0.00 C ATOM 541 CE LYS A 38 7.169 -10.514 -10.077 1.00 0.00 C ATOM 542 NZ LYS A 38 6.458 -11.763 -10.466 1.00 0.00 N ATOM 0 H LYS A 38 9.940 -5.826 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 38 7.063 -5.312 -9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.608 -7.177 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.761 -7.816 -9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.065 -8.561 -8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.848 -7.527 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.258 -9.535 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.380 -8.951 -11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.083 -10.419 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.467 -10.577 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.082 -12.580 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.599 -11.868 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.196 -11.714 -11.471 1.00 0.00 H new ATOM 556 N ALA A 39 6.951 -5.554 -7.149 1.00 0.00 N ATOM 557 CA ALA A 39 6.880 -5.621 -5.694 1.00 0.00 C ATOM 558 C ALA A 39 5.943 -6.735 -5.241 1.00 0.00 C ATOM 559 O ALA A 39 4.742 -6.701 -5.515 1.00 0.00 O ATOM 560 CB ALA A 39 6.427 -4.284 -5.126 1.00 0.00 C ATOM 0 H ALA A 39 6.146 -5.110 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 39 7.878 -5.845 -5.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.378 -4.348 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.137 -3.508 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.441 -4.037 -5.519 1.00 0.00 H new ATOM 566 N THR A 40 6.498 -7.723 -4.547 1.00 0.00 N ATOM 567 CA THR A 40 5.712 -8.849 -4.057 1.00 0.00 C ATOM 568 C THR A 40 4.994 -8.496 -2.760 1.00 0.00 C ATOM 569 O THR A 40 5.131 -7.385 -2.246 1.00 0.00 O ATOM 570 CB THR A 40 6.594 -10.089 -3.822 1.00 0.00 C ATOM 571 OG1 THR A 40 5.779 -11.208 -3.456 1.00 0.00 O ATOM 572 CG2 THR A 40 7.620 -9.825 -2.730 1.00 0.00 C ATOM 0 H THR A 40 7.489 -7.767 -4.311 1.00 0.00 H new ATOM 0 HA THR A 40 4.974 -9.078 -4.826 1.00 0.00 H new ATOM 0 HB THR A 40 7.122 -10.312 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.347 -11.993 -3.310 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.231 -10.715 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.258 -8.992 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.107 -9.579 -1.800 1.00 0.00 H new ATOM 580 N SER A 41 4.230 -9.447 -2.234 1.00 0.00 N ATOM 581 CA SER A 41 3.488 -9.235 -0.997 1.00 0.00 C ATOM 582 C SER A 41 4.427 -8.840 0.139 1.00 0.00 C ATOM 583 O SER A 41 4.023 -8.165 1.087 1.00 0.00 O ATOM 584 CB SER A 41 2.714 -10.499 -0.618 1.00 0.00 C ATOM 585 OG SER A 41 1.474 -10.563 -1.300 1.00 0.00 O ATOM 0 H SER A 41 4.108 -10.372 -2.645 1.00 0.00 H new ATOM 0 HA SER A 41 2.782 -8.421 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.310 -11.379 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.542 -10.514 0.458 1.00 0.00 H new ATOM 0 HG SER A 41 1.000 -11.381 -1.041 1.00 0.00 H new ATOM 591 N SER A 42 5.682 -9.265 0.036 1.00 0.00 N ATOM 592 CA SER A 42 6.678 -8.960 1.056 1.00 0.00 C ATOM 593 C SER A 42 7.401 -7.655 0.735 1.00 0.00 C ATOM 594 O SER A 42 8.441 -7.348 1.320 1.00 0.00 O ATOM 595 CB SER A 42 7.690 -10.102 1.168 1.00 0.00 C ATOM 596 OG SER A 42 7.668 -10.677 2.463 1.00 0.00 O ATOM 0 H SER A 42 6.033 -9.821 -0.743 1.00 0.00 H new ATOM 0 HA SER A 42 6.163 -8.845 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.465 -10.866 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.690 -9.728 0.949 1.00 0.00 H new ATOM 0 HG SER A 42 8.322 -11.405 2.509 1.00 0.00 H new ATOM 602 N CYS A 43 6.843 -6.891 -0.197 1.00 0.00 N ATOM 603 CA CYS A 43 7.432 -5.618 -0.597 1.00 0.00 C ATOM 604 C CYS A 43 8.798 -5.831 -1.243 1.00 0.00 C ATOM 605 O CYS A 43 9.574 -4.889 -1.404 1.00 0.00 O ATOM 606 CB CYS A 43 7.565 -4.691 0.612 1.00 0.00 C ATOM 607 SG CYS A 43 6.390 -3.300 0.616 1.00 0.00 S ATOM 0 H CYS A 43 5.983 -7.131 -0.690 1.00 0.00 H new ATOM 0 HA CYS A 43 6.772 -5.154 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.423 -5.275 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.580 -4.295 0.643 1.00 0.00 H new ATOM 612 N GLY A 44 9.086 -7.076 -1.610 1.00 0.00 N ATOM 613 CA GLY A 44 10.358 -7.390 -2.234 1.00 0.00 C ATOM 614 C GLY A 44 10.414 -6.959 -3.686 1.00 0.00 C ATOM 615 O GLY A 44 9.476 -7.196 -4.449 1.00 0.00 O ATOM 0 H GLY A 44 8.461 -7.873 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.160 -6.901 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.535 -8.464 -2.170 1.00 0.00 H new ATOM 619 N LEU A 45 11.515 -6.323 -4.071 1.00 0.00 N ATOM 620 CA LEU A 45 11.690 -5.856 -5.442 1.00 0.00 C ATOM 621 C LEU A 45 12.414 -6.901 -6.285 1.00 0.00 C ATOM 622 O LEU A 45 13.181 -7.711 -5.764 1.00 0.00 O ATOM 623 CB LEU A 45 12.471 -4.541 -5.458 1.00 0.00 C ATOM 624 CG LEU A 45 11.984 -3.460 -4.492 1.00 0.00 C ATOM 625 CD1 LEU A 45 12.642 -2.126 -4.809 1.00 0.00 C ATOM 626 CD2 LEU A 45 10.469 -3.336 -4.549 1.00 0.00 C ATOM 0 H LEU A 45 12.300 -6.119 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 45 10.702 -5.690 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.515 -4.759 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.442 -4.136 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 45 12.266 -3.750 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.284 -1.369 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.724 -2.223 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.391 -1.829 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.141 -2.562 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.164 -3.069 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.015 -4.288 -4.272 1.00 0.00 H new ATOM 638 N SER A 46 12.166 -6.875 -7.591 1.00 0.00 N ATOM 639 CA SER A 46 12.793 -7.821 -8.506 1.00 0.00 C ATOM 640 C SER A 46 12.329 -7.579 -9.939 1.00 0.00 C ATOM 641 O SER A 46 11.150 -7.322 -10.188 1.00 0.00 O ATOM 642 CB SER A 46 12.470 -9.257 -8.089 1.00 0.00 C ATOM 643 OG SER A 46 13.655 -9.995 -7.842 1.00 0.00 O ATOM 0 H SER A 46 11.536 -6.209 -8.039 1.00 0.00 H new ATOM 0 HA SER A 46 13.872 -7.671 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.850 -9.248 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.890 -9.745 -8.873 1.00 0.00 H new ATOM 0 HG SER A 46 13.422 -10.909 -7.575 1.00 0.00 H new ATOM 649 N LEU A 47 13.264 -7.662 -10.879 1.00 0.00 N ATOM 650 CA LEU A 47 12.953 -7.452 -12.289 1.00 0.00 C ATOM 651 C LEU A 47 11.946 -8.485 -12.784 1.00 0.00 C ATOM 652 O LEU A 47 11.750 -9.528 -12.158 1.00 0.00 O ATOM 653 CB LEU A 47 14.229 -7.523 -13.129 1.00 0.00 C ATOM 654 CG LEU A 47 14.691 -6.210 -13.761 1.00 0.00 C ATOM 655 CD1 LEU A 47 15.338 -5.314 -12.717 1.00 0.00 C ATOM 656 CD2 LEU A 47 15.655 -6.479 -14.907 1.00 0.00 C ATOM 0 H LEU A 47 14.244 -7.873 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 47 12.511 -6.461 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.034 -7.903 -12.499 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.076 -8.252 -13.925 1.00 0.00 H new ATOM 0 HG LEU A 47 13.818 -5.695 -14.161 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.661 -4.384 -13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.617 -5.093 -11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.201 -5.822 -12.286 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.973 -5.533 -15.345 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.526 -7.016 -14.531 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.157 -7.081 -15.667 1.00 0.00 H new ATOM 668 N THR A 48 11.310 -8.191 -13.914 1.00 0.00 N ATOM 669 CA THR A 48 10.325 -9.094 -14.494 1.00 0.00 C ATOM 670 C THR A 48 10.848 -9.727 -15.778 1.00 0.00 C ATOM 671 O THR A 48 10.787 -9.124 -16.848 1.00 0.00 O ATOM 672 CB THR A 48 9.003 -8.363 -14.797 1.00 0.00 C ATOM 673 OG1 THR A 48 8.734 -7.394 -13.778 1.00 0.00 O ATOM 674 CG2 THR A 48 7.847 -9.349 -14.884 1.00 0.00 C ATOM 0 H THR A 48 11.460 -7.334 -14.446 1.00 0.00 H new ATOM 0 HA THR A 48 10.139 -9.875 -13.757 1.00 0.00 H new ATOM 0 HB THR A 48 9.104 -7.860 -15.759 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.781 -7.165 -13.788 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.924 -8.810 -15.099 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.041 -10.068 -15.680 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.747 -9.877 -13.936 1.00 0.00 H new ATOM 682 N ASN A 49 11.361 -10.948 -15.664 1.00 0.00 N ATOM 683 CA ASN A 49 11.895 -11.663 -16.817 1.00 0.00 C ATOM 684 C ASN A 49 12.888 -10.795 -17.584 1.00 0.00 C ATOM 685 O ASN A 49 12.812 -10.683 -18.808 1.00 0.00 O ATOM 686 CB ASN A 49 10.759 -12.099 -17.744 1.00 0.00 C ATOM 687 CG ASN A 49 11.171 -13.222 -18.676 1.00 0.00 C ATOM 688 OD1 ASN A 49 11.868 -14.154 -18.273 1.00 0.00 O ATOM 689 ND2 ASN A 49 10.741 -13.139 -19.929 1.00 0.00 N ATOM 0 H ASN A 49 11.418 -11.462 -14.785 1.00 0.00 H new ATOM 0 HA ASN A 49 12.418 -12.548 -16.454 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.908 -12.422 -17.144 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.427 -11.245 -18.334 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.986 -13.866 -20.602 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.165 -12.349 -20.219 1.00 0.00 H new ATOM 696 N GLN A 50 13.817 -10.183 -16.857 1.00 0.00 N ATOM 697 CA GLN A 50 14.824 -9.325 -17.469 1.00 0.00 C ATOM 698 C GLN A 50 16.099 -9.299 -16.632 1.00 0.00 C ATOM 699 O GLN A 50 16.109 -9.742 -15.484 1.00 0.00 O ATOM 700 CB GLN A 50 14.281 -7.905 -17.638 1.00 0.00 C ATOM 701 CG GLN A 50 13.460 -7.714 -18.903 1.00 0.00 C ATOM 702 CD GLN A 50 13.933 -6.537 -19.733 1.00 0.00 C ATOM 703 OE1 GLN A 50 13.829 -5.384 -19.313 1.00 0.00 O ATOM 704 NE2 GLN A 50 14.457 -6.822 -20.920 1.00 0.00 N ATOM 0 H GLN A 50 13.893 -10.266 -15.843 1.00 0.00 H new ATOM 0 HA GLN A 50 15.064 -9.733 -18.451 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.665 -7.655 -16.774 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.116 -7.204 -17.648 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.510 -8.622 -19.505 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.414 -7.567 -18.634 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.524 -7.792 -21.228 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.793 -6.071 -21.523 1.00 0.00 H new ATOM 713 N VAL A 51 17.173 -8.777 -17.215 1.00 0.00 N ATOM 714 CA VAL A 51 18.453 -8.692 -16.523 1.00 0.00 C ATOM 715 C VAL A 51 18.802 -7.246 -16.188 1.00 0.00 C ATOM 716 O VAL A 51 18.057 -6.324 -16.520 1.00 0.00 O ATOM 717 CB VAL A 51 19.589 -9.300 -17.367 1.00 0.00 C ATOM 718 CG1 VAL A 51 19.272 -10.743 -17.728 1.00 0.00 C ATOM 719 CG2 VAL A 51 19.827 -8.469 -18.618 1.00 0.00 C ATOM 0 H VAL A 51 17.182 -8.406 -18.165 1.00 0.00 H new ATOM 0 HA VAL A 51 18.352 -9.262 -15.599 1.00 0.00 H new ATOM 0 HB VAL A 51 20.503 -9.291 -16.774 1.00 0.00 H new ATOM 0 HG11 VAL A 51 20.086 -11.156 -18.324 1.00 0.00 H new ATOM 0 HG12 VAL A 51 19.156 -11.329 -16.816 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.346 -10.779 -18.303 1.00 0.00 H new ATOM 0 HG21 VAL A 51 20.633 -8.913 -19.202 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.916 -8.444 -19.217 1.00 0.00 H new ATOM 0 HG23 VAL A 51 20.103 -7.454 -18.333 1.00 0.00 H new ATOM 729 N PHE A 52 19.940 -7.055 -15.529 1.00 0.00 N ATOM 730 CA PHE A 52 20.389 -5.721 -15.149 1.00 0.00 C ATOM 731 C PHE A 52 21.570 -5.278 -16.008 1.00 0.00 C ATOM 732 O PHE A 52 22.090 -6.052 -16.812 1.00 0.00 O ATOM 733 CB PHE A 52 20.781 -5.694 -13.670 1.00 0.00 C ATOM 734 CG PHE A 52 22.137 -6.281 -13.398 1.00 0.00 C ATOM 735 CD1 PHE A 52 23.275 -5.496 -13.484 1.00 0.00 C ATOM 736 CD2 PHE A 52 22.272 -7.617 -13.058 1.00 0.00 C ATOM 737 CE1 PHE A 52 24.524 -6.033 -13.235 1.00 0.00 C ATOM 738 CE2 PHE A 52 23.518 -8.159 -12.807 1.00 0.00 C ATOM 739 CZ PHE A 52 24.646 -7.366 -12.896 1.00 0.00 C ATOM 0 H PHE A 52 20.568 -7.808 -15.247 1.00 0.00 H new ATOM 0 HA PHE A 52 19.564 -5.027 -15.312 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.763 -4.663 -13.316 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.035 -6.242 -13.095 1.00 0.00 H new ATOM 0 HD1 PHE A 52 23.185 -4.453 -13.749 1.00 0.00 H new ATOM 0 HD2 PHE A 52 21.394 -8.242 -12.988 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.404 -5.411 -13.306 1.00 0.00 H new ATOM 0 HE2 PHE A 52 23.610 -9.202 -12.541 1.00 0.00 H new ATOM 0 HZ PHE A 52 25.621 -7.788 -12.701 1.00 0.00 H new ATOM 749 N ILE A 53 21.987 -4.029 -15.831 1.00 0.00 N ATOM 750 CA ILE A 53 23.106 -3.484 -16.589 1.00 0.00 C ATOM 751 C ILE A 53 23.801 -2.367 -15.817 1.00 0.00 C ATOM 752 O ILE A 53 23.237 -1.803 -14.880 1.00 0.00 O ATOM 753 CB ILE A 53 22.649 -2.940 -17.955 1.00 0.00 C ATOM 754 CG1 ILE A 53 21.514 -1.931 -17.773 1.00 0.00 C ATOM 755 CG2 ILE A 53 22.210 -4.083 -18.859 1.00 0.00 C ATOM 756 CD1 ILE A 53 21.868 -0.534 -18.233 1.00 0.00 C ATOM 0 H ILE A 53 21.567 -3.376 -15.170 1.00 0.00 H new ATOM 0 HA ILE A 53 23.807 -4.303 -16.749 1.00 0.00 H new ATOM 0 HB ILE A 53 23.489 -2.431 -18.427 1.00 0.00 H new ATOM 0 HG12 ILE A 53 20.640 -2.276 -18.325 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.233 -1.898 -16.720 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.890 -3.683 -19.821 1.00 0.00 H new ATOM 0 HG22 ILE A 53 23.044 -4.768 -19.010 1.00 0.00 H new ATOM 0 HG23 ILE A 53 21.381 -4.617 -18.394 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.017 0.128 -18.074 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.723 -0.169 -17.663 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.120 -0.553 -19.293 1.00 0.00 H new ATOM 768 N ASN A 54 25.028 -2.052 -16.218 1.00 0.00 N ATOM 769 CA ASN A 54 25.800 -1.002 -15.565 1.00 0.00 C ATOM 770 C ASN A 54 25.843 -1.217 -14.055 1.00 0.00 C ATOM 771 O ASN A 54 25.974 -0.267 -13.285 1.00 0.00 O ATOM 772 CB ASN A 54 25.200 0.371 -15.878 1.00 0.00 C ATOM 773 CG ASN A 54 26.259 1.448 -16.009 1.00 0.00 C ATOM 774 OD1 ASN A 54 27.456 1.172 -15.918 1.00 0.00 O ATOM 775 ND2 ASN A 54 25.823 2.684 -16.224 1.00 0.00 N ATOM 0 H ASN A 54 25.509 -2.509 -16.992 1.00 0.00 H new ATOM 0 HA ASN A 54 26.819 -1.043 -15.950 1.00 0.00 H new ATOM 0 HB2 ASN A 54 24.629 0.312 -16.804 1.00 0.00 H new ATOM 0 HB3 ASN A 54 24.500 0.647 -15.089 1.00 0.00 H new ATOM 0 HD21 ASN A 54 26.489 3.450 -16.321 1.00 0.00 H new ATOM 0 HD22 ASN A 54 24.822 2.867 -16.292 1.00 0.00 H new ATOM 782 N GLY A 55 25.732 -2.475 -13.639 1.00 0.00 N ATOM 783 CA GLY A 55 25.762 -2.794 -12.223 1.00 0.00 C ATOM 784 C GLY A 55 24.650 -2.109 -11.452 1.00 0.00 C ATOM 785 O GLY A 55 24.757 -1.912 -10.242 1.00 0.00 O ATOM 0 H GLY A 55 25.622 -3.279 -14.257 1.00 0.00 H new ATOM 0 HA2 GLY A 55 25.678 -3.873 -12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 55 26.725 -2.498 -11.807 1.00 0.00 H new ATOM 789 N GLU A 56 23.582 -1.745 -12.154 1.00 0.00 N ATOM 790 CA GLU A 56 22.448 -1.076 -11.527 1.00 0.00 C ATOM 791 C GLU A 56 21.715 -2.021 -10.579 1.00 0.00 C ATOM 792 O GLU A 56 21.409 -3.160 -10.935 1.00 0.00 O ATOM 793 CB GLU A 56 21.482 -0.554 -12.593 1.00 0.00 C ATOM 794 CG GLU A 56 22.016 0.640 -13.366 1.00 0.00 C ATOM 795 CD GLU A 56 20.914 1.566 -13.843 1.00 0.00 C ATOM 796 OE1 GLU A 56 19.728 1.223 -13.656 1.00 0.00 O ATOM 797 OE2 GLU A 56 21.239 2.634 -14.403 1.00 0.00 O ATOM 0 H GLU A 56 23.478 -1.902 -13.156 1.00 0.00 H new ATOM 0 HA GLU A 56 22.830 -0.234 -10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 56 21.258 -1.359 -13.293 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.543 -0.276 -12.115 1.00 0.00 H new ATOM 0 HG2 GLU A 56 22.706 1.198 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 56 22.586 0.286 -14.225 1.00 0.00 H new ATOM 804 N SER A 57 21.437 -1.541 -9.372 1.00 0.00 N ATOM 805 CA SER A 57 20.744 -2.344 -8.371 1.00 0.00 C ATOM 806 C SER A 57 19.415 -1.701 -7.984 1.00 0.00 C ATOM 807 O SER A 57 19.198 -0.511 -8.212 1.00 0.00 O ATOM 808 CB SER A 57 21.621 -2.517 -7.129 1.00 0.00 C ATOM 809 OG SER A 57 22.726 -1.630 -7.157 1.00 0.00 O ATOM 0 H SER A 57 21.681 -0.600 -9.063 1.00 0.00 H new ATOM 0 HA SER A 57 20.541 -3.324 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.028 -2.335 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.978 -3.545 -7.072 1.00 0.00 H new ATOM 0 HG SER A 57 23.270 -1.759 -6.352 1.00 0.00 H new ATOM 815 N VAL A 58 18.529 -2.498 -7.396 1.00 0.00 N ATOM 816 CA VAL A 58 17.221 -2.008 -6.976 1.00 0.00 C ATOM 817 C VAL A 58 17.071 -2.074 -5.460 1.00 0.00 C ATOM 818 O VAL A 58 17.485 -3.046 -4.828 1.00 0.00 O ATOM 819 CB VAL A 58 16.083 -2.815 -7.629 1.00 0.00 C ATOM 820 CG1 VAL A 58 14.744 -2.130 -7.402 1.00 0.00 C ATOM 821 CG2 VAL A 58 16.349 -3.003 -9.115 1.00 0.00 C ATOM 0 H VAL A 58 18.693 -3.485 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 58 17.152 -0.970 -7.301 1.00 0.00 H new ATOM 0 HB VAL A 58 16.044 -3.799 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.952 -2.715 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.552 -2.051 -6.332 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.767 -1.132 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.535 -3.575 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.415 -2.029 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.288 -3.540 -9.252 1.00 0.00 H new ATOM 831 N GLN A 59 16.475 -1.035 -4.884 1.00 0.00 N ATOM 832 CA GLN A 59 16.270 -0.976 -3.442 1.00 0.00 C ATOM 833 C GLN A 59 14.871 -0.468 -3.111 1.00 0.00 C ATOM 834 O GLN A 59 14.316 0.363 -3.830 1.00 0.00 O ATOM 835 CB GLN A 59 17.320 -0.072 -2.793 1.00 0.00 C ATOM 836 CG GLN A 59 18.527 -0.828 -2.260 1.00 0.00 C ATOM 837 CD GLN A 59 18.145 -1.926 -1.287 1.00 0.00 C ATOM 838 OE1 GLN A 59 18.455 -3.098 -1.502 1.00 0.00 O ATOM 839 NE2 GLN A 59 17.468 -1.551 -0.207 1.00 0.00 N ATOM 0 H GLN A 59 16.126 -0.223 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 59 16.374 -1.986 -3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 59 17.656 0.664 -3.524 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.857 0.480 -1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 59 19.076 -1.263 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 59 19.200 -0.128 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.232 -0.568 -0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.184 -2.246 0.484 1.00 0.00 H new ATOM 848 N SER A 60 14.306 -0.972 -2.019 1.00 0.00 N ATOM 849 CA SER A 60 12.969 -0.573 -1.596 1.00 0.00 C ATOM 850 C SER A 60 13.008 0.769 -0.870 1.00 0.00 C ATOM 851 O SER A 60 13.411 0.849 0.290 1.00 0.00 O ATOM 852 CB SER A 60 12.359 -1.640 -0.685 1.00 0.00 C ATOM 853 OG SER A 60 11.243 -1.129 0.023 1.00 0.00 O ATOM 0 H SER A 60 14.753 -1.658 -1.411 1.00 0.00 H new ATOM 0 HA SER A 60 12.349 -0.468 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.053 -2.500 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.111 -1.993 0.021 1.00 0.00 H new ATOM 0 HG SER A 60 10.870 -1.831 0.597 1.00 0.00 H new ATOM 859 N GLY A 61 12.585 1.822 -1.563 1.00 0.00 N ATOM 860 CA GLY A 61 12.580 3.147 -0.970 1.00 0.00 C ATOM 861 C GLY A 61 11.675 3.235 0.243 1.00 0.00 C ATOM 862 O GLY A 61 11.768 4.177 1.029 1.00 0.00 O ATOM 0 H GLY A 61 12.246 1.781 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.596 3.417 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.256 3.874 -1.715 1.00 0.00 H new ATOM 866 N GLY A 62 10.795 2.250 0.396 1.00 0.00 N ATOM 867 CA GLY A 62 9.881 2.240 1.524 1.00 0.00 C ATOM 868 C GLY A 62 8.448 1.979 1.106 1.00 0.00 C ATOM 869 O GLY A 62 8.187 1.130 0.253 1.00 0.00 O ATOM 0 H GLY A 62 10.699 1.459 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.194 1.475 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.937 3.198 2.041 1.00 0.00 H new ATOM 873 N ARG A 63 7.515 2.710 1.708 1.00 0.00 N ATOM 874 CA ARG A 63 6.100 2.550 1.396 1.00 0.00 C ATOM 875 C ARG A 63 5.603 3.698 0.521 1.00 0.00 C ATOM 876 O ARG A 63 6.106 4.819 0.605 1.00 0.00 O ATOM 877 CB ARG A 63 5.276 2.482 2.683 1.00 0.00 C ATOM 878 CG ARG A 63 5.603 3.587 3.674 1.00 0.00 C ATOM 879 CD ARG A 63 6.676 3.151 4.660 1.00 0.00 C ATOM 880 NE ARG A 63 6.227 3.268 6.045 1.00 0.00 N ATOM 881 CZ ARG A 63 6.151 4.422 6.698 1.00 0.00 C ATOM 882 NH1 ARG A 63 6.492 5.553 6.094 1.00 0.00 N ATOM 883 NH2 ARG A 63 5.733 4.448 7.957 1.00 0.00 N ATOM 0 H ARG A 63 7.714 3.419 2.414 1.00 0.00 H new ATOM 0 HA ARG A 63 5.979 1.617 0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.217 2.534 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.442 1.516 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.940 4.472 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.701 3.869 4.217 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.957 2.118 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.569 3.759 4.516 1.00 0.00 H new ATOM 0 HE ARG A 63 5.957 2.417 6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.813 5.537 5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.433 6.438 6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.469 3.581 8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.675 5.335 8.457 1.00 0.00 H new ATOM 897 N CYS A 64 4.614 3.410 -0.318 1.00 0.00 N ATOM 898 CA CYS A 64 4.050 4.417 -1.209 1.00 0.00 C ATOM 899 C CYS A 64 3.056 5.305 -0.466 1.00 0.00 C ATOM 900 O CYS A 64 3.241 5.610 0.712 1.00 0.00 O ATOM 901 CB CYS A 64 3.360 3.746 -2.399 1.00 0.00 C ATOM 902 SG CYS A 64 3.275 4.786 -3.892 1.00 0.00 S ATOM 0 H CYS A 64 4.186 2.488 -0.400 1.00 0.00 H new ATOM 0 HA CYS A 64 4.866 5.041 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.890 2.825 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.348 3.464 -2.107 1.00 0.00 H new