USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.563 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.9) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0955 USER MOD Single : A 35 HIS : no HD1:sc= -0.201 K(o=-0.2,f=-0.81) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.66 K(o=-2.7,f=-2!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.099) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.02 K(o=-1,f=-4.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.226 -4.762 -30.991 1.00 0.00 N ATOM 2 CA GLY A 1 28.459 -4.167 -29.861 1.00 0.00 C ATOM 3 C GLY A 1 29.088 -4.463 -28.514 1.00 0.00 C ATOM 4 O GLY A 1 29.000 -5.585 -28.015 1.00 0.00 O ATOM 0 H1 GLY A 1 28.756 -4.531 -31.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.192 -4.376 -30.997 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.267 -5.795 -30.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.394 -3.088 -29.999 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.440 -4.552 -29.875 1.00 0.00 H new ATOM 10 N SER A 2 29.723 -3.456 -27.925 1.00 0.00 N ATOM 11 CA SER A 2 30.370 -3.614 -26.628 1.00 0.00 C ATOM 12 C SER A 2 30.521 -2.268 -25.927 1.00 0.00 C ATOM 13 O SER A 2 31.308 -1.422 -26.350 1.00 0.00 O ATOM 14 CB SER A 2 31.741 -4.272 -26.795 1.00 0.00 C ATOM 15 OG SER A 2 32.577 -3.502 -27.640 1.00 0.00 O ATOM 0 H SER A 2 29.804 -2.521 -28.325 1.00 0.00 H new ATOM 0 HA SER A 2 29.740 -4.255 -26.012 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.213 -4.388 -25.819 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.620 -5.272 -27.212 1.00 0.00 H new ATOM 0 HG SER A 2 32.417 -2.549 -27.478 1.00 0.00 H new ATOM 21 N SER A 3 29.761 -2.078 -24.854 1.00 0.00 N ATOM 22 CA SER A 3 29.810 -0.834 -24.094 1.00 0.00 C ATOM 23 C SER A 3 30.818 -0.933 -22.954 1.00 0.00 C ATOM 24 O SER A 3 31.470 -1.962 -22.776 1.00 0.00 O ATOM 25 CB SER A 3 28.425 -0.496 -23.539 1.00 0.00 C ATOM 26 OG SER A 3 27.402 -1.060 -24.340 1.00 0.00 O ATOM 0 H SER A 3 29.104 -2.769 -24.491 1.00 0.00 H new ATOM 0 HA SER A 3 30.128 -0.038 -24.767 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.338 -0.868 -22.518 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.302 0.586 -23.495 1.00 0.00 H new ATOM 0 HG SER A 3 26.527 -0.831 -23.963 1.00 0.00 H new ATOM 32 N GLY A 4 30.940 0.143 -22.183 1.00 0.00 N ATOM 33 CA GLY A 4 31.870 0.156 -21.069 1.00 0.00 C ATOM 34 C GLY A 4 31.538 -0.891 -20.025 1.00 0.00 C ATOM 35 O GLY A 4 32.411 -1.642 -19.590 1.00 0.00 O ATOM 0 H GLY A 4 30.411 1.006 -22.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 32.880 -0.014 -21.441 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.863 1.142 -20.605 1.00 0.00 H new ATOM 39 N SER A 5 30.274 -0.941 -19.620 1.00 0.00 N ATOM 40 CA SER A 5 29.828 -1.903 -18.619 1.00 0.00 C ATOM 41 C SER A 5 29.599 -3.274 -19.247 1.00 0.00 C ATOM 42 O SER A 5 29.204 -3.377 -20.409 1.00 0.00 O ATOM 43 CB SER A 5 28.542 -1.415 -17.949 1.00 0.00 C ATOM 44 OG SER A 5 28.765 -0.214 -17.231 1.00 0.00 O ATOM 0 H SER A 5 29.539 -0.326 -19.970 1.00 0.00 H new ATOM 0 HA SER A 5 30.610 -1.994 -17.865 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.773 -1.253 -18.705 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.167 -2.183 -17.272 1.00 0.00 H new ATOM 0 HG SER A 5 27.928 0.078 -16.814 1.00 0.00 H new ATOM 50 N SER A 6 29.850 -4.324 -18.473 1.00 0.00 N ATOM 51 CA SER A 6 29.671 -5.689 -18.954 1.00 0.00 C ATOM 52 C SER A 6 29.659 -6.678 -17.793 1.00 0.00 C ATOM 53 O SER A 6 30.399 -6.520 -16.822 1.00 0.00 O ATOM 54 CB SER A 6 30.783 -6.054 -19.939 1.00 0.00 C ATOM 55 OG SER A 6 31.981 -5.359 -19.638 1.00 0.00 O ATOM 0 H SER A 6 30.178 -4.256 -17.510 1.00 0.00 H new ATOM 0 HA SER A 6 28.710 -5.745 -19.465 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.964 -7.128 -19.906 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.466 -5.816 -20.954 1.00 0.00 H new ATOM 0 HG SER A 6 32.676 -5.611 -20.281 1.00 0.00 H new ATOM 61 N GLY A 7 28.813 -7.697 -17.900 1.00 0.00 N ATOM 62 CA GLY A 7 28.720 -8.697 -16.852 1.00 0.00 C ATOM 63 C GLY A 7 27.286 -9.032 -16.495 1.00 0.00 C ATOM 64 O GLY A 7 26.368 -8.274 -16.809 1.00 0.00 O ATOM 0 H GLY A 7 28.190 -7.848 -18.693 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.232 -9.604 -17.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.238 -8.336 -15.963 1.00 0.00 H new ATOM 68 N GLN A 8 27.091 -10.170 -15.837 1.00 0.00 N ATOM 69 CA GLN A 8 25.758 -10.604 -15.438 1.00 0.00 C ATOM 70 C GLN A 8 25.586 -10.511 -13.925 1.00 0.00 C ATOM 71 O GLN A 8 26.567 -10.471 -13.181 1.00 0.00 O ATOM 72 CB GLN A 8 25.504 -12.039 -15.904 1.00 0.00 C ATOM 73 CG GLN A 8 24.119 -12.557 -15.554 1.00 0.00 C ATOM 74 CD GLN A 8 23.867 -13.953 -16.087 1.00 0.00 C ATOM 75 OE1 GLN A 8 23.479 -14.855 -15.344 1.00 0.00 O ATOM 76 NE2 GLN A 8 24.086 -14.139 -17.384 1.00 0.00 N ATOM 0 H GLN A 8 27.840 -10.808 -15.569 1.00 0.00 H new ATOM 0 HA GLN A 8 25.032 -9.942 -15.910 1.00 0.00 H new ATOM 0 HB2 GLN A 8 25.640 -12.090 -16.984 1.00 0.00 H new ATOM 0 HB3 GLN A 8 26.251 -12.695 -15.457 1.00 0.00 H new ATOM 0 HG2 GLN A 8 23.999 -12.559 -14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 8 23.368 -11.877 -15.957 1.00 0.00 H new ATOM 0 HE21 GLN A 8 24.407 -13.363 -17.963 1.00 0.00 H new ATOM 0 HE22 GLN A 8 23.933 -15.057 -17.801 1.00 0.00 H new ATOM 85 N ALA A 9 24.336 -10.476 -13.477 1.00 0.00 N ATOM 86 CA ALA A 9 24.036 -10.388 -12.054 1.00 0.00 C ATOM 87 C ALA A 9 22.752 -11.139 -11.716 1.00 0.00 C ATOM 88 O ALA A 9 21.748 -10.536 -11.337 1.00 0.00 O ATOM 89 CB ALA A 9 23.927 -8.931 -11.628 1.00 0.00 C ATOM 0 H ALA A 9 23.514 -10.507 -14.080 1.00 0.00 H new ATOM 0 HA ALA A 9 24.853 -10.855 -11.505 1.00 0.00 H new ATOM 0 HB1 ALA A 9 23.703 -8.879 -10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 9 24.871 -8.423 -11.825 1.00 0.00 H new ATOM 0 HB3 ALA A 9 23.129 -8.446 -12.191 1.00 0.00 H new ATOM 95 N LEU A 10 22.793 -12.461 -11.856 1.00 0.00 N ATOM 96 CA LEU A 10 21.633 -13.295 -11.566 1.00 0.00 C ATOM 97 C LEU A 10 21.224 -13.169 -10.102 1.00 0.00 C ATOM 98 O LEU A 10 21.994 -13.500 -9.200 1.00 0.00 O ATOM 99 CB LEU A 10 21.936 -14.758 -11.898 1.00 0.00 C ATOM 100 CG LEU A 10 20.753 -15.554 -12.452 1.00 0.00 C ATOM 101 CD1 LEU A 10 21.228 -16.868 -13.052 1.00 0.00 C ATOM 102 CD2 LEU A 10 19.723 -15.805 -11.361 1.00 0.00 C ATOM 0 H LEU A 10 23.616 -12.976 -12.168 1.00 0.00 H new ATOM 0 HA LEU A 10 20.805 -12.951 -12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.748 -14.789 -12.625 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.297 -15.252 -10.996 1.00 0.00 H new ATOM 0 HG LEU A 10 20.282 -14.968 -13.241 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.373 -17.421 -13.441 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.928 -16.666 -13.862 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.724 -17.461 -12.283 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.888 -16.372 -11.772 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.182 -16.371 -10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.360 -14.852 -10.977 1.00 0.00 H new ATOM 114 N ALA A 11 20.007 -12.687 -9.872 1.00 0.00 N ATOM 115 CA ALA A 11 19.494 -12.517 -8.518 1.00 0.00 C ATOM 116 C ALA A 11 18.068 -13.041 -8.401 1.00 0.00 C ATOM 117 O ALA A 11 17.819 -14.049 -7.741 1.00 0.00 O ATOM 118 CB ALA A 11 19.557 -11.053 -8.112 1.00 0.00 C ATOM 0 H ALA A 11 19.357 -12.407 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 11 20.121 -13.098 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.171 -10.939 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 11 20.591 -10.710 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.954 -10.459 -8.799 1.00 0.00 H new ATOM 124 N SER A 12 17.134 -12.349 -9.046 1.00 0.00 N ATOM 125 CA SER A 12 15.731 -12.744 -9.013 1.00 0.00 C ATOM 126 C SER A 12 15.096 -12.608 -10.394 1.00 0.00 C ATOM 127 O SER A 12 15.041 -11.516 -10.958 1.00 0.00 O ATOM 128 CB SER A 12 14.962 -11.895 -8.000 1.00 0.00 C ATOM 129 OG SER A 12 13.987 -12.668 -7.322 1.00 0.00 O ATOM 0 H SER A 12 17.324 -11.512 -9.598 1.00 0.00 H new ATOM 0 HA SER A 12 15.681 -13.790 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.657 -11.466 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.479 -11.062 -8.511 1.00 0.00 H new ATOM 0 HG SER A 12 13.510 -12.103 -6.679 1.00 0.00 H new ATOM 135 N ASP A 13 14.618 -13.726 -10.933 1.00 0.00 N ATOM 136 CA ASP A 13 13.987 -13.731 -12.246 1.00 0.00 C ATOM 137 C ASP A 13 13.412 -15.107 -12.570 1.00 0.00 C ATOM 138 O ASP A 13 13.453 -15.554 -13.716 1.00 0.00 O ATOM 139 CB ASP A 13 14.995 -13.321 -13.322 1.00 0.00 C ATOM 140 CG ASP A 13 14.368 -12.467 -14.406 1.00 0.00 C ATOM 141 OD1 ASP A 13 13.361 -11.788 -14.120 1.00 0.00 O ATOM 142 OD2 ASP A 13 14.886 -12.479 -15.543 1.00 0.00 O ATOM 0 H ASP A 13 14.656 -14.639 -10.480 1.00 0.00 H new ATOM 0 HA ASP A 13 13.169 -13.010 -12.230 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.814 -12.771 -12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.426 -14.215 -13.772 1.00 0.00 H new ATOM 147 N SER A 14 12.878 -15.773 -11.551 1.00 0.00 N ATOM 148 CA SER A 14 12.295 -17.099 -11.727 1.00 0.00 C ATOM 149 C SER A 14 10.963 -17.208 -10.991 1.00 0.00 C ATOM 150 O SER A 14 9.939 -17.543 -11.587 1.00 0.00 O ATOM 151 CB SER A 14 13.259 -18.174 -11.224 1.00 0.00 C ATOM 152 OG SER A 14 14.509 -18.087 -11.884 1.00 0.00 O ATOM 0 H SER A 14 12.837 -15.417 -10.596 1.00 0.00 H new ATOM 0 HA SER A 14 12.116 -17.252 -12.791 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.403 -18.063 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.826 -19.161 -11.388 1.00 0.00 H new ATOM 0 HG SER A 14 15.108 -18.784 -11.544 1.00 0.00 H new ATOM 158 N GLU A 15 10.985 -16.924 -9.694 1.00 0.00 N ATOM 159 CA GLU A 15 9.779 -16.990 -8.876 1.00 0.00 C ATOM 160 C GLU A 15 9.205 -15.595 -8.640 1.00 0.00 C ATOM 161 O GLU A 15 9.669 -14.862 -7.766 1.00 0.00 O ATOM 162 CB GLU A 15 10.083 -17.668 -7.536 1.00 0.00 C ATOM 163 CG GLU A 15 9.385 -19.007 -7.362 1.00 0.00 C ATOM 164 CD GLU A 15 9.737 -19.680 -6.050 1.00 0.00 C ATOM 165 OE1 GLU A 15 10.727 -20.439 -6.018 1.00 0.00 O ATOM 166 OE2 GLU A 15 9.021 -19.447 -5.053 1.00 0.00 O ATOM 0 H GLU A 15 11.824 -16.646 -9.186 1.00 0.00 H new ATOM 0 HA GLU A 15 9.036 -17.581 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.160 -17.814 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.784 -17.003 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.306 -18.860 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.656 -19.664 -8.188 1.00 0.00 H new ATOM 173 N GLU A 16 8.195 -15.237 -9.425 1.00 0.00 N ATOM 174 CA GLU A 16 7.558 -13.931 -9.302 1.00 0.00 C ATOM 175 C GLU A 16 6.234 -14.040 -8.552 1.00 0.00 C ATOM 176 O GLU A 16 5.242 -14.529 -9.092 1.00 0.00 O ATOM 177 CB GLU A 16 7.324 -13.323 -10.686 1.00 0.00 C ATOM 178 CG GLU A 16 7.041 -11.830 -10.654 1.00 0.00 C ATOM 179 CD GLU A 16 5.862 -11.441 -11.525 1.00 0.00 C ATOM 180 OE1 GLU A 16 6.066 -11.223 -12.738 1.00 0.00 O ATOM 181 OE2 GLU A 16 4.735 -11.353 -10.993 1.00 0.00 O ATOM 0 H GLU A 16 7.800 -15.832 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 16 8.224 -13.281 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.201 -13.505 -11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.486 -13.833 -11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.846 -11.523 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.927 -11.289 -10.986 1.00 0.00 H new ATOM 188 N ALA A 17 6.227 -13.581 -7.304 1.00 0.00 N ATOM 189 CA ALA A 17 5.025 -13.628 -6.480 1.00 0.00 C ATOM 190 C ALA A 17 4.758 -12.278 -5.822 1.00 0.00 C ATOM 191 O ALA A 17 5.477 -11.308 -6.058 1.00 0.00 O ATOM 192 CB ALA A 17 5.152 -14.715 -5.424 1.00 0.00 C ATOM 0 H ALA A 17 7.040 -13.173 -6.842 1.00 0.00 H new ATOM 0 HA ALA A 17 4.179 -13.862 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.248 -14.739 -4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.288 -15.681 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.012 -14.505 -4.788 1.00 0.00 H new ATOM 198 N ASP A 18 3.720 -12.225 -4.994 1.00 0.00 N ATOM 199 CA ASP A 18 3.357 -10.995 -4.300 1.00 0.00 C ATOM 200 C ASP A 18 3.953 -10.967 -2.895 1.00 0.00 C ATOM 201 O ASP A 18 3.238 -10.788 -1.909 1.00 0.00 O ATOM 202 CB ASP A 18 1.835 -10.857 -4.228 1.00 0.00 C ATOM 203 CG ASP A 18 1.202 -10.694 -5.596 1.00 0.00 C ATOM 204 OD1 ASP A 18 1.080 -9.540 -6.059 1.00 0.00 O ATOM 205 OD2 ASP A 18 0.830 -11.719 -6.205 1.00 0.00 O ATOM 0 H ASP A 18 3.115 -13.020 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 18 3.764 -10.154 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.416 -11.737 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.580 -9.997 -3.608 1.00 0.00 H new ATOM 210 N GLU A 19 5.268 -11.145 -2.813 1.00 0.00 N ATOM 211 CA GLU A 19 5.960 -11.140 -1.530 1.00 0.00 C ATOM 212 C GLU A 19 5.763 -9.808 -0.810 1.00 0.00 C ATOM 213 O GLU A 19 6.047 -8.746 -1.362 1.00 0.00 O ATOM 214 CB GLU A 19 7.453 -11.407 -1.730 1.00 0.00 C ATOM 215 CG GLU A 19 7.821 -12.881 -1.672 1.00 0.00 C ATOM 216 CD GLU A 19 9.315 -13.113 -1.785 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.040 -12.787 -0.822 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.759 -13.622 -2.835 1.00 0.00 O ATOM 0 H GLU A 19 5.875 -11.294 -3.619 1.00 0.00 H new ATOM 0 HA GLU A 19 5.535 -11.933 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.760 -11.002 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.015 -10.870 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.461 -13.305 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.313 -13.411 -2.478 1.00 0.00 H new ATOM 225 N VAL A 20 5.273 -9.875 0.423 1.00 0.00 N ATOM 226 CA VAL A 20 5.036 -8.677 1.218 1.00 0.00 C ATOM 227 C VAL A 20 6.291 -8.277 1.996 1.00 0.00 C ATOM 228 O VAL A 20 6.709 -8.985 2.912 1.00 0.00 O ATOM 229 CB VAL A 20 3.875 -8.881 2.211 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.537 -7.577 2.917 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.653 -9.441 1.499 1.00 0.00 C ATOM 0 H VAL A 20 5.032 -10.747 0.893 1.00 0.00 H new ATOM 0 HA VAL A 20 4.772 -7.882 0.521 1.00 0.00 H new ATOM 0 HB VAL A 20 4.191 -9.603 2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.715 -7.743 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.410 -7.223 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.243 -6.830 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.844 -9.578 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.334 -8.746 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.903 -10.401 1.047 1.00 0.00 H new ATOM 241 N PRO A 21 6.910 -7.135 1.643 1.00 0.00 N ATOM 242 CA PRO A 21 8.120 -6.656 2.320 1.00 0.00 C ATOM 243 C PRO A 21 7.943 -6.574 3.832 1.00 0.00 C ATOM 244 O PRO A 21 6.831 -6.698 4.345 1.00 0.00 O ATOM 245 CB PRO A 21 8.331 -5.259 1.731 1.00 0.00 C ATOM 246 CG PRO A 21 7.660 -5.302 0.402 1.00 0.00 C ATOM 247 CD PRO A 21 6.484 -6.225 0.563 1.00 0.00 C ATOM 0 HA PRO A 21 8.964 -7.329 2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.895 -4.490 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.391 -5.027 1.632 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.337 -4.307 0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.340 -5.667 -0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.579 -5.680 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.269 -6.767 -0.358 1.00 0.00 H new ATOM 255 N GLU A 22 9.047 -6.364 4.541 1.00 0.00 N ATOM 256 CA GLU A 22 9.014 -6.265 5.996 1.00 0.00 C ATOM 257 C GLU A 22 8.691 -4.840 6.435 1.00 0.00 C ATOM 258 O GLU A 22 8.053 -4.628 7.466 1.00 0.00 O ATOM 259 CB GLU A 22 10.355 -6.702 6.589 1.00 0.00 C ATOM 260 CG GLU A 22 10.442 -8.196 6.856 1.00 0.00 C ATOM 261 CD GLU A 22 11.290 -8.521 8.069 1.00 0.00 C ATOM 262 OE1 GLU A 22 11.134 -7.839 9.104 1.00 0.00 O ATOM 263 OE2 GLU A 22 12.112 -9.459 7.986 1.00 0.00 O ATOM 0 H GLU A 22 9.976 -6.259 4.132 1.00 0.00 H new ATOM 0 HA GLU A 22 8.230 -6.927 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.155 -6.416 5.907 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.523 -6.164 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.438 -8.595 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.859 -8.694 5.981 1.00 0.00 H new ATOM 270 N TRP A 23 9.133 -3.868 5.645 1.00 0.00 N ATOM 271 CA TRP A 23 8.891 -2.463 5.952 1.00 0.00 C ATOM 272 C TRP A 23 7.411 -2.120 5.802 1.00 0.00 C ATOM 273 O TRP A 23 6.909 -1.201 6.449 1.00 0.00 O ATOM 274 CB TRP A 23 9.730 -1.567 5.039 1.00 0.00 C ATOM 275 CG TRP A 23 9.570 -1.881 3.584 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.459 -2.541 2.786 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.453 -1.548 2.751 1.00 0.00 C ATOM 278 NE1 TRP A 23 9.964 -2.639 1.507 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.734 -2.037 1.462 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.243 -0.884 2.971 1.00 0.00 C ATOM 281 CZ2 TRP A 23 7.849 -1.883 0.398 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.365 -0.732 1.915 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.671 -1.230 0.642 1.00 0.00 C ATOM 0 H TRP A 23 9.661 -4.027 4.787 1.00 0.00 H new ATOM 0 HA TRP A 23 9.183 -2.288 6.988 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.454 -0.527 5.211 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.781 -1.667 5.311 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.413 -2.930 3.112 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.435 -3.086 0.721 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.999 -0.497 3.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.084 -2.265 -0.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.427 -0.221 2.074 1.00 0.00 H new ATOM 0 HH2 TRP A 23 5.963 -1.096 -0.163 1.00 0.00 H new ATOM 294 N LEU A 24 6.718 -2.863 4.943 1.00 0.00 N ATOM 295 CA LEU A 24 5.297 -2.634 4.711 1.00 0.00 C ATOM 296 C LEU A 24 4.492 -2.879 5.983 1.00 0.00 C ATOM 297 O LEU A 24 4.484 -3.987 6.520 1.00 0.00 O ATOM 298 CB LEU A 24 4.788 -3.541 3.589 1.00 0.00 C ATOM 299 CG LEU A 24 3.367 -3.243 3.110 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.270 -1.820 2.580 1.00 0.00 C ATOM 301 CD2 LEU A 24 2.941 -4.243 2.044 1.00 0.00 C ATOM 0 H LEU A 24 7.117 -3.627 4.398 1.00 0.00 H new ATOM 0 HA LEU A 24 5.167 -1.593 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.466 -3.458 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.830 -4.575 3.931 1.00 0.00 H new ATOM 0 HG LEU A 24 2.690 -3.339 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.252 -1.626 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.531 -1.118 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.958 -1.695 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.927 -4.015 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.621 -4.180 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.970 -5.251 2.458 1.00 0.00 H new ATOM 313 N ARG A 25 3.816 -1.839 6.458 1.00 0.00 N ATOM 314 CA ARG A 25 3.007 -1.941 7.667 1.00 0.00 C ATOM 315 C ARG A 25 2.200 -0.667 7.891 1.00 0.00 C ATOM 316 O ARG A 25 2.488 0.374 7.299 1.00 0.00 O ATOM 317 CB ARG A 25 3.898 -2.213 8.881 1.00 0.00 C ATOM 318 CG ARG A 25 5.067 -1.249 9.005 1.00 0.00 C ATOM 319 CD ARG A 25 5.540 -1.127 10.445 1.00 0.00 C ATOM 320 NE ARG A 25 6.998 -1.131 10.543 1.00 0.00 N ATOM 321 CZ ARG A 25 7.672 -0.679 11.598 1.00 0.00 C ATOM 322 NH1 ARG A 25 7.025 -0.187 12.647 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.998 -0.719 11.605 1.00 0.00 N ATOM 0 H ARG A 25 3.812 -0.916 6.024 1.00 0.00 H new ATOM 0 HA ARG A 25 2.313 -2.772 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.293 -2.156 9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.282 -3.231 8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.890 -1.592 8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.771 -0.268 8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.150 -0.206 10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.135 -1.952 11.031 1.00 0.00 H new ATOM 0 HE ARG A 25 7.531 -1.502 9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.006 -0.154 12.648 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.547 0.158 13.453 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.501 -1.096 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.514 -0.373 12.414 1.00 0.00 H new ATOM 337 N GLU A 26 1.189 -0.755 8.748 1.00 0.00 N ATOM 338 CA GLU A 26 0.340 0.391 9.050 1.00 0.00 C ATOM 339 C GLU A 26 1.164 1.549 9.605 1.00 0.00 C ATOM 340 O GLU A 26 2.066 1.349 10.418 1.00 0.00 O ATOM 341 CB GLU A 26 -0.747 -0.003 10.052 1.00 0.00 C ATOM 342 CG GLU A 26 -2.059 -0.404 9.398 1.00 0.00 C ATOM 343 CD GLU A 26 -3.043 -1.002 10.385 1.00 0.00 C ATOM 344 OE1 GLU A 26 -3.642 -0.234 11.166 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.214 -2.239 10.376 1.00 0.00 O ATOM 0 H GLU A 26 0.937 -1.609 9.246 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.131 0.716 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.386 -0.832 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.928 0.833 10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.508 0.470 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.860 -1.126 8.606 1.00 0.00 H new ATOM 352 N GLY A 27 0.849 2.761 9.157 1.00 0.00 N ATOM 353 CA GLY A 27 1.570 3.932 9.618 1.00 0.00 C ATOM 354 C GLY A 27 2.909 4.099 8.927 1.00 0.00 C ATOM 355 O GLY A 27 3.823 4.719 9.472 1.00 0.00 O ATOM 0 H GLY A 27 0.107 2.952 8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.962 4.820 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.727 3.858 10.694 1.00 0.00 H new ATOM 359 N GLU A 28 3.028 3.545 7.725 1.00 0.00 N ATOM 360 CA GLU A 28 4.266 3.636 6.959 1.00 0.00 C ATOM 361 C GLU A 28 4.037 4.365 5.639 1.00 0.00 C ATOM 362 O GLU A 28 3.167 3.990 4.854 1.00 0.00 O ATOM 363 CB GLU A 28 4.830 2.239 6.695 1.00 0.00 C ATOM 364 CG GLU A 28 6.343 2.161 6.816 1.00 0.00 C ATOM 365 CD GLU A 28 6.822 2.322 8.246 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.836 1.315 8.984 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.180 3.456 8.628 1.00 0.00 O ATOM 0 H GLU A 28 2.282 3.028 7.260 1.00 0.00 H new ATOM 0 HA GLU A 28 4.987 4.205 7.546 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.381 1.536 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.537 1.921 5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.686 1.202 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.794 2.936 6.196 1.00 0.00 H new ATOM 374 N PHE A 29 4.826 5.407 5.402 1.00 0.00 N ATOM 375 CA PHE A 29 4.712 6.190 4.177 1.00 0.00 C ATOM 376 C PHE A 29 5.205 5.394 2.974 1.00 0.00 C ATOM 377 O PHE A 29 6.214 4.693 3.052 1.00 0.00 O ATOM 378 CB PHE A 29 5.507 7.490 4.303 1.00 0.00 C ATOM 379 CG PHE A 29 4.736 8.606 4.948 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.997 8.381 6.098 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.751 9.880 4.403 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.287 9.407 6.694 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.043 10.910 4.994 1.00 0.00 C ATOM 384 CZ PHE A 29 3.310 10.672 6.141 1.00 0.00 C ATOM 0 H PHE A 29 5.552 5.729 6.042 1.00 0.00 H new ATOM 0 HA PHE A 29 3.659 6.429 4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.409 7.300 4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.828 7.807 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.975 7.393 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.322 10.070 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.715 9.219 7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.063 11.899 4.560 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.756 11.475 6.604 1.00 0.00 H new ATOM 394 N VAL A 30 4.488 5.508 1.860 1.00 0.00 N ATOM 395 CA VAL A 30 4.854 4.800 0.639 1.00 0.00 C ATOM 396 C VAL A 30 4.350 5.536 -0.596 1.00 0.00 C ATOM 397 O VAL A 30 3.621 6.523 -0.488 1.00 0.00 O ATOM 398 CB VAL A 30 4.294 3.365 0.630 1.00 0.00 C ATOM 399 CG1 VAL A 30 5.115 2.464 1.540 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.829 3.359 1.043 1.00 0.00 C ATOM 0 H VAL A 30 3.650 6.084 1.778 1.00 0.00 H new ATOM 0 HA VAL A 30 5.943 4.757 0.615 1.00 0.00 H new ATOM 0 HB VAL A 30 4.363 2.976 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.704 1.455 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.148 2.442 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.082 2.849 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.452 2.336 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.733 3.769 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.252 3.967 0.346 1.00 0.00 H new ATOM 410 N THR A 31 4.742 5.052 -1.769 1.00 0.00 N ATOM 411 CA THR A 31 4.331 5.664 -3.027 1.00 0.00 C ATOM 412 C THR A 31 3.844 4.608 -4.013 1.00 0.00 C ATOM 413 O THR A 31 4.103 3.417 -3.840 1.00 0.00 O ATOM 414 CB THR A 31 5.490 6.453 -3.638 1.00 0.00 C ATOM 415 OG1 THR A 31 5.076 7.122 -4.815 1.00 0.00 O ATOM 416 CG2 THR A 31 6.679 5.587 -3.997 1.00 0.00 C ATOM 0 H THR A 31 5.345 4.236 -1.875 1.00 0.00 H new ATOM 0 HA THR A 31 3.507 6.346 -2.817 1.00 0.00 H new ATOM 0 HB THR A 31 5.795 7.161 -2.868 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.831 7.622 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.466 6.208 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.054 5.094 -3.100 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.375 4.834 -4.724 1.00 0.00 H new ATOM 424 N VAL A 32 3.139 5.052 -5.048 1.00 0.00 N ATOM 425 CA VAL A 32 2.617 4.143 -6.062 1.00 0.00 C ATOM 426 C VAL A 32 3.036 4.584 -7.461 1.00 0.00 C ATOM 427 O VAL A 32 3.395 5.742 -7.677 1.00 0.00 O ATOM 428 CB VAL A 32 1.080 4.054 -6.005 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.579 2.913 -6.876 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.607 3.886 -4.569 1.00 0.00 C ATOM 0 H VAL A 32 2.916 6.035 -5.207 1.00 0.00 H new ATOM 0 HA VAL A 32 3.037 3.160 -5.849 1.00 0.00 H new ATOM 0 HB VAL A 32 0.666 4.985 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.509 2.865 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.885 3.082 -7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.001 1.972 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.481 3.825 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.029 2.972 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.933 4.740 -3.976 1.00 0.00 H new ATOM 440 N GLY A 33 2.989 3.653 -8.407 1.00 0.00 N ATOM 441 CA GLY A 33 3.368 3.963 -9.774 1.00 0.00 C ATOM 442 C GLY A 33 2.478 5.020 -10.398 1.00 0.00 C ATOM 443 O GLY A 33 2.969 5.976 -10.999 1.00 0.00 O ATOM 0 H GLY A 33 2.695 2.689 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.402 4.307 -9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.324 3.055 -10.375 1.00 0.00 H new ATOM 447 N ALA A 34 1.168 4.848 -10.260 1.00 0.00 N ATOM 448 CA ALA A 34 0.211 5.795 -10.820 1.00 0.00 C ATOM 449 C ALA A 34 -0.961 6.023 -9.871 1.00 0.00 C ATOM 450 O ALA A 34 -2.122 5.983 -10.280 1.00 0.00 O ATOM 451 CB ALA A 34 -0.287 5.303 -12.170 1.00 0.00 C ATOM 0 H ALA A 34 0.745 4.062 -9.766 1.00 0.00 H new ATOM 0 HA ALA A 34 0.720 6.749 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.001 6.019 -12.577 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.556 5.202 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.773 4.335 -12.048 1.00 0.00 H new ATOM 457 N HIS A 35 -0.651 6.265 -8.601 1.00 0.00 N ATOM 458 CA HIS A 35 -1.681 6.503 -7.595 1.00 0.00 C ATOM 459 C HIS A 35 -1.184 7.459 -6.514 1.00 0.00 C ATOM 460 O HIS A 35 -1.710 7.478 -5.401 1.00 0.00 O ATOM 461 CB HIS A 35 -2.118 5.182 -6.961 1.00 0.00 C ATOM 462 CG HIS A 35 -3.036 4.376 -7.827 1.00 0.00 C ATOM 463 ND1 HIS A 35 -4.110 4.904 -8.509 1.00 0.00 N ATOM 464 CD2 HIS A 35 -3.024 3.050 -8.119 1.00 0.00 C ATOM 465 CE1 HIS A 35 -4.705 3.906 -9.178 1.00 0.00 C ATOM 466 NE2 HIS A 35 -4.084 2.760 -8.974 1.00 0.00 N ATOM 0 H HIS A 35 0.304 6.301 -8.244 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.536 6.962 -8.092 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.233 4.588 -6.733 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.615 5.390 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.306 2.334 -7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.578 4.025 -9.802 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.330 1.849 -9.362 1.00 0.00 H new ATOM 474 N LYS A 36 -0.168 8.253 -6.846 1.00 0.00 N ATOM 475 CA LYS A 36 0.396 9.211 -5.900 1.00 0.00 C ATOM 476 C LYS A 36 0.872 8.511 -4.631 1.00 0.00 C ATOM 477 O LYS A 36 0.935 7.284 -4.573 1.00 0.00 O ATOM 478 CB LYS A 36 -0.640 10.280 -5.550 1.00 0.00 C ATOM 479 CG LYS A 36 -1.359 10.850 -6.761 1.00 0.00 C ATOM 480 CD LYS A 36 -2.168 12.086 -6.399 1.00 0.00 C ATOM 481 CE LYS A 36 -2.836 12.694 -7.622 1.00 0.00 C ATOM 482 NZ LYS A 36 -2.735 14.178 -7.630 1.00 0.00 N ATOM 0 H LYS A 36 0.280 8.251 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 36 1.256 9.687 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.376 9.852 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.146 11.092 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.631 11.103 -7.532 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.019 10.093 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.927 11.822 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.516 12.825 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.374 12.294 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.886 12.402 -7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.203 14.553 -8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.198 14.562 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.733 14.458 -7.634 1.00 0.00 H new ATOM 496 N THR A 37 1.205 9.303 -3.616 1.00 0.00 N ATOM 497 CA THR A 37 1.676 8.761 -2.347 1.00 0.00 C ATOM 498 C THR A 37 0.504 8.448 -1.421 1.00 0.00 C ATOM 499 O THR A 37 -0.624 8.876 -1.667 1.00 0.00 O ATOM 500 CB THR A 37 2.628 9.748 -1.668 1.00 0.00 C ATOM 501 OG1 THR A 37 2.162 11.077 -1.817 1.00 0.00 O ATOM 502 CG2 THR A 37 4.037 9.693 -2.217 1.00 0.00 C ATOM 0 H THR A 37 1.157 10.321 -3.648 1.00 0.00 H new ATOM 0 HA THR A 37 2.211 7.834 -2.553 1.00 0.00 H new ATOM 0 HB THR A 37 2.651 9.452 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.783 11.693 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.660 10.417 -1.693 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.445 8.692 -2.074 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.022 9.930 -3.281 1.00 0.00 H new ATOM 510 N GLY A 38 0.779 7.701 -0.357 1.00 0.00 N ATOM 511 CA GLY A 38 -0.262 7.344 0.587 1.00 0.00 C ATOM 512 C GLY A 38 0.257 6.499 1.733 1.00 0.00 C ATOM 513 O GLY A 38 1.135 5.657 1.544 1.00 0.00 O ATOM 0 H GLY A 38 1.705 7.337 -0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.713 8.253 0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.049 6.799 0.066 1.00 0.00 H new ATOM 517 N VAL A 39 -0.286 6.723 2.926 1.00 0.00 N ATOM 518 CA VAL A 39 0.129 5.974 4.107 1.00 0.00 C ATOM 519 C VAL A 39 -0.609 4.643 4.201 1.00 0.00 C ATOM 520 O VAL A 39 -1.803 4.563 3.914 1.00 0.00 O ATOM 521 CB VAL A 39 -0.119 6.778 5.398 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.516 6.082 6.592 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.409 8.198 5.255 1.00 0.00 C ATOM 0 H VAL A 39 -1.014 7.416 3.100 1.00 0.00 H new ATOM 0 HA VAL A 39 1.198 5.787 4.004 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.194 6.832 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.330 6.665 7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.083 5.088 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.591 5.993 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.224 8.749 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.481 8.170 5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.099 8.694 4.428 1.00 0.00 H new ATOM 533 N VAL A 40 0.109 3.600 4.604 1.00 0.00 N ATOM 534 CA VAL A 40 -0.477 2.272 4.734 1.00 0.00 C ATOM 535 C VAL A 40 -1.412 2.200 5.938 1.00 0.00 C ATOM 536 O VAL A 40 -1.006 2.470 7.068 1.00 0.00 O ATOM 537 CB VAL A 40 0.609 1.188 4.875 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.014 -0.201 4.865 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.645 1.324 3.769 1.00 0.00 C ATOM 0 H VAL A 40 1.099 3.649 4.846 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.046 2.087 3.823 1.00 0.00 H new ATOM 0 HB VAL A 40 1.112 1.327 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.770 -0.952 4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.713 -0.292 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.545 -0.355 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.404 0.550 3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.159 1.214 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.115 2.306 3.830 1.00 0.00 H new ATOM 549 N ARG A 41 -2.664 1.834 5.686 1.00 0.00 N ATOM 550 CA ARG A 41 -3.658 1.725 6.748 1.00 0.00 C ATOM 551 C ARG A 41 -4.078 0.273 6.958 1.00 0.00 C ATOM 552 O ARG A 41 -4.467 -0.117 8.059 1.00 0.00 O ATOM 553 CB ARG A 41 -4.883 2.580 6.420 1.00 0.00 C ATOM 554 CG ARG A 41 -4.581 4.067 6.335 1.00 0.00 C ATOM 555 CD ARG A 41 -4.260 4.649 7.702 1.00 0.00 C ATOM 556 NE ARG A 41 -3.578 5.938 7.601 1.00 0.00 N ATOM 557 CZ ARG A 41 -3.230 6.676 8.653 1.00 0.00 C ATOM 558 NH1 ARG A 41 -3.498 6.258 9.884 1.00 0.00 N ATOM 559 NH2 ARG A 41 -2.612 7.835 8.473 1.00 0.00 N ATOM 0 H ARG A 41 -3.015 1.608 4.755 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.206 2.089 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.304 2.248 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.645 2.415 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.739 4.231 5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.437 4.589 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.182 4.770 8.270 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.634 3.950 8.256 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.356 6.293 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.973 5.367 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.229 6.828 10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.404 8.161 7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.345 8.401 9.278 1.00 0.00 H new ATOM 573 N TYR A 42 -4.000 -0.524 5.896 1.00 0.00 N ATOM 574 CA TYR A 42 -4.373 -1.932 5.969 1.00 0.00 C ATOM 575 C TYR A 42 -3.361 -2.802 5.230 1.00 0.00 C ATOM 576 O TYR A 42 -2.821 -2.403 4.197 1.00 0.00 O ATOM 577 CB TYR A 42 -5.769 -2.142 5.381 1.00 0.00 C ATOM 578 CG TYR A 42 -6.529 -3.285 6.015 1.00 0.00 C ATOM 579 CD1 TYR A 42 -7.101 -3.149 7.274 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.674 -4.499 5.356 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.796 -4.191 7.858 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.368 -5.545 5.933 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.927 -5.387 7.183 1.00 0.00 C ATOM 584 OH TYR A 42 -8.619 -6.427 7.761 1.00 0.00 O ATOM 0 H TYR A 42 -3.682 -0.219 4.976 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.380 -2.226 7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.345 -1.224 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.679 -2.327 4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.001 -2.214 7.805 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.237 -4.627 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.234 -4.070 8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.472 -6.482 5.407 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.619 -7.197 7.155 1.00 0.00 H new ATOM 594 N VAL A 43 -3.109 -3.992 5.766 1.00 0.00 N ATOM 595 CA VAL A 43 -2.163 -4.919 5.158 1.00 0.00 C ATOM 596 C VAL A 43 -2.576 -6.365 5.405 1.00 0.00 C ATOM 597 O VAL A 43 -2.337 -6.915 6.481 1.00 0.00 O ATOM 598 CB VAL A 43 -0.738 -4.705 5.700 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.264 -5.538 4.916 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.366 -3.230 5.657 1.00 0.00 C ATOM 0 H VAL A 43 -3.547 -4.336 6.620 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.169 -4.719 4.087 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.712 -5.033 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.265 -5.373 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.008 -6.594 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.238 -5.245 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.644 -3.098 6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.410 -2.874 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.066 -2.660 6.268 1.00 0.00 H new ATOM 610 N GLY A 44 -3.197 -6.979 4.404 1.00 0.00 N ATOM 611 CA GLY A 44 -3.632 -8.356 4.534 1.00 0.00 C ATOM 612 C GLY A 44 -4.425 -8.832 3.330 1.00 0.00 C ATOM 613 O GLY A 44 -4.921 -8.019 2.551 1.00 0.00 O ATOM 0 H GLY A 44 -3.407 -6.547 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.761 -8.998 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.243 -8.457 5.431 1.00 0.00 H new ATOM 617 N PRO A 45 -4.563 -10.157 3.151 1.00 0.00 N ATOM 618 CA PRO A 45 -5.307 -10.729 2.024 1.00 0.00 C ATOM 619 C PRO A 45 -6.713 -10.151 1.907 1.00 0.00 C ATOM 620 O PRO A 45 -7.138 -9.348 2.738 1.00 0.00 O ATOM 621 CB PRO A 45 -5.369 -12.221 2.358 1.00 0.00 C ATOM 622 CG PRO A 45 -4.194 -12.463 3.239 1.00 0.00 C ATOM 623 CD PRO A 45 -4.005 -11.200 4.033 1.00 0.00 C ATOM 0 HA PRO A 45 -4.829 -10.513 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.301 -12.475 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.319 -12.831 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.368 -13.315 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.305 -12.691 2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.530 -11.243 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.953 -11.018 4.255 1.00 0.00 H new ATOM 631 N ALA A 46 -7.433 -10.565 0.868 1.00 0.00 N ATOM 632 CA ALA A 46 -8.792 -10.088 0.641 1.00 0.00 C ATOM 633 C ALA A 46 -9.778 -11.249 0.583 1.00 0.00 C ATOM 634 O ALA A 46 -9.403 -12.406 0.779 1.00 0.00 O ATOM 635 CB ALA A 46 -8.857 -9.274 -0.642 1.00 0.00 C ATOM 0 H ALA A 46 -7.097 -11.229 0.171 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.072 -9.449 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.877 -8.924 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.187 -8.417 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.553 -9.896 -1.484 1.00 0.00 H new ATOM 641 N ASP A 47 -11.040 -10.934 0.313 1.00 0.00 N ATOM 642 CA ASP A 47 -12.081 -11.952 0.229 1.00 0.00 C ATOM 643 C ASP A 47 -12.534 -12.150 -1.214 1.00 0.00 C ATOM 644 O ASP A 47 -12.931 -13.248 -1.605 1.00 0.00 O ATOM 645 CB ASP A 47 -13.277 -11.562 1.101 1.00 0.00 C ATOM 646 CG ASP A 47 -13.909 -12.760 1.783 1.00 0.00 C ATOM 647 OD1 ASP A 47 -14.481 -13.613 1.074 1.00 0.00 O ATOM 648 OD2 ASP A 47 -13.832 -12.843 3.028 1.00 0.00 O ATOM 0 H ASP A 47 -11.367 -9.982 0.149 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.665 -12.891 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.954 -10.845 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.024 -11.061 0.485 1.00 0.00 H new ATOM 653 N PHE A 48 -12.471 -11.081 -2.002 1.00 0.00 N ATOM 654 CA PHE A 48 -12.875 -11.138 -3.402 1.00 0.00 C ATOM 655 C PHE A 48 -11.711 -11.571 -4.288 1.00 0.00 C ATOM 656 O PHE A 48 -11.907 -12.213 -5.319 1.00 0.00 O ATOM 657 CB PHE A 48 -13.401 -9.777 -3.860 1.00 0.00 C ATOM 658 CG PHE A 48 -12.475 -8.638 -3.541 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.439 -8.309 -4.401 1.00 0.00 C ATOM 660 CD2 PHE A 48 -12.640 -7.896 -2.382 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.585 -7.262 -4.110 1.00 0.00 C ATOM 662 CE2 PHE A 48 -11.789 -6.849 -2.086 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.760 -6.531 -2.952 1.00 0.00 C ATOM 0 H PHE A 48 -12.144 -10.165 -1.695 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.672 -11.876 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.571 -9.806 -4.936 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.367 -9.592 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.298 -8.877 -5.309 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.443 -8.139 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.781 -7.016 -4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.928 -6.280 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.094 -5.712 -2.723 1.00 0.00 H new ATOM 673 N GLN A 49 -10.498 -11.214 -3.877 1.00 0.00 N ATOM 674 CA GLN A 49 -9.300 -11.565 -4.633 1.00 0.00 C ATOM 675 C GLN A 49 -8.340 -12.385 -3.778 1.00 0.00 C ATOM 676 O GLN A 49 -8.422 -12.374 -2.550 1.00 0.00 O ATOM 677 CB GLN A 49 -8.601 -10.302 -5.137 1.00 0.00 C ATOM 678 CG GLN A 49 -9.219 -9.727 -6.401 1.00 0.00 C ATOM 679 CD GLN A 49 -8.367 -9.971 -7.630 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.267 -11.098 -8.118 1.00 0.00 O ATOM 681 NE2 GLN A 49 -7.746 -8.914 -8.140 1.00 0.00 N ATOM 0 H GLN A 49 -10.319 -10.682 -3.025 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.604 -12.169 -5.488 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.627 -9.545 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.552 -10.529 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.204 -10.169 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.367 -8.655 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.856 -7.998 -7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.159 -9.018 -8.968 1.00 0.00 H new ATOM 690 N GLU A 50 -7.428 -13.095 -4.435 1.00 0.00 N ATOM 691 CA GLU A 50 -6.452 -13.920 -3.734 1.00 0.00 C ATOM 692 C GLU A 50 -5.125 -13.183 -3.585 1.00 0.00 C ATOM 693 O GLU A 50 -4.870 -12.195 -4.275 1.00 0.00 O ATOM 694 CB GLU A 50 -6.236 -15.238 -4.483 1.00 0.00 C ATOM 695 CG GLU A 50 -7.131 -16.366 -3.997 1.00 0.00 C ATOM 696 CD GLU A 50 -7.471 -17.355 -5.095 1.00 0.00 C ATOM 697 OE1 GLU A 50 -7.764 -16.910 -6.225 1.00 0.00 O ATOM 698 OE2 GLU A 50 -7.444 -18.574 -4.825 1.00 0.00 O ATOM 0 H GLU A 50 -7.345 -13.115 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.842 -14.135 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.414 -15.076 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.194 -15.540 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.636 -16.891 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.052 -15.946 -3.594 1.00 0.00 H new ATOM 705 N GLY A 51 -4.283 -13.669 -2.678 1.00 0.00 N ATOM 706 CA GLY A 51 -2.994 -13.043 -2.454 1.00 0.00 C ATOM 707 C GLY A 51 -3.004 -12.102 -1.265 1.00 0.00 C ATOM 708 O GLY A 51 -3.696 -12.347 -0.277 1.00 0.00 O ATOM 0 H GLY A 51 -4.471 -14.485 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.241 -13.815 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.702 -12.491 -3.347 1.00 0.00 H new ATOM 712 N THR A 52 -2.234 -11.022 -1.361 1.00 0.00 N ATOM 713 CA THR A 52 -2.158 -10.041 -0.284 1.00 0.00 C ATOM 714 C THR A 52 -2.429 -8.634 -0.809 1.00 0.00 C ATOM 715 O THR A 52 -1.953 -8.258 -1.880 1.00 0.00 O ATOM 716 CB THR A 52 -0.783 -10.092 0.384 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.300 -11.423 0.438 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.784 -9.547 1.795 1.00 0.00 C ATOM 0 H THR A 52 -1.655 -10.805 -2.172 1.00 0.00 H new ATOM 0 HA THR A 52 -2.922 -10.288 0.453 1.00 0.00 H new ATOM 0 HB THR A 52 -0.139 -9.463 -0.231 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.581 -11.434 0.867 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.221 -9.612 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.105 -8.505 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.470 -10.130 2.410 1.00 0.00 H new ATOM 726 N TRP A 53 -3.196 -7.863 -0.046 1.00 0.00 N ATOM 727 CA TRP A 53 -3.531 -6.496 -0.433 1.00 0.00 C ATOM 728 C TRP A 53 -2.962 -5.494 0.566 1.00 0.00 C ATOM 729 O TRP A 53 -2.639 -5.849 1.701 1.00 0.00 O ATOM 730 CB TRP A 53 -5.048 -6.330 -0.531 1.00 0.00 C ATOM 731 CG TRP A 53 -5.653 -7.064 -1.688 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.001 -8.383 -1.731 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.982 -6.519 -2.972 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.526 -8.693 -2.962 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.525 -7.565 -3.742 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.870 -5.249 -3.544 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.956 -7.379 -5.053 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.297 -5.065 -4.846 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.834 -6.125 -5.588 1.00 0.00 C ATOM 0 H TRP A 53 -3.597 -8.160 0.843 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.087 -6.301 -1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.505 -6.683 0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.285 -5.270 -0.619 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.881 -9.081 -0.916 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.862 -9.612 -3.249 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.457 -4.426 -2.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.371 -8.194 -5.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.215 -4.088 -5.299 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -7.158 -5.949 -6.603 1.00 0.00 H new ATOM 750 N VAL A 54 -2.841 -4.242 0.139 1.00 0.00 N ATOM 751 CA VAL A 54 -2.311 -3.189 0.996 1.00 0.00 C ATOM 752 C VAL A 54 -3.146 -1.918 0.884 1.00 0.00 C ATOM 753 O VAL A 54 -3.144 -1.251 -0.151 1.00 0.00 O ATOM 754 CB VAL A 54 -0.848 -2.861 0.646 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.251 -1.913 1.673 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.024 -4.136 0.546 1.00 0.00 C ATOM 0 H VAL A 54 -3.103 -3.932 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.356 -3.562 2.019 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.830 -2.366 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.783 -1.694 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.825 -0.987 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.282 -2.378 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.007 -3.884 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.050 -4.662 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.438 -4.777 -0.232 1.00 0.00 H new ATOM 766 N GLY A 55 -3.860 -1.588 1.955 1.00 0.00 N ATOM 767 CA GLY A 55 -4.689 -0.398 1.956 1.00 0.00 C ATOM 768 C GLY A 55 -3.881 0.874 2.119 1.00 0.00 C ATOM 769 O GLY A 55 -3.299 1.117 3.177 1.00 0.00 O ATOM 0 H GLY A 55 -3.879 -2.124 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.251 -0.350 1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.417 -0.468 2.764 1.00 0.00 H new ATOM 773 N VAL A 56 -3.843 1.688 1.069 1.00 0.00 N ATOM 774 CA VAL A 56 -3.101 2.942 1.100 1.00 0.00 C ATOM 775 C VAL A 56 -4.045 4.138 1.156 1.00 0.00 C ATOM 776 O VAL A 56 -4.916 4.293 0.298 1.00 0.00 O ATOM 777 CB VAL A 56 -2.183 3.083 -0.130 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.296 4.311 0.002 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.343 1.829 -0.319 1.00 0.00 C ATOM 0 H VAL A 56 -4.318 1.501 0.186 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.488 2.924 2.001 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.810 3.209 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.655 4.393 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.918 5.202 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.678 4.219 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.702 1.949 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.726 1.668 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.999 0.971 -0.465 1.00 0.00 H new ATOM 789 N GLU A 57 -3.869 4.980 2.168 1.00 0.00 N ATOM 790 CA GLU A 57 -4.706 6.162 2.334 1.00 0.00 C ATOM 791 C GLU A 57 -4.151 7.338 1.538 1.00 0.00 C ATOM 792 O GLU A 57 -3.016 7.764 1.752 1.00 0.00 O ATOM 793 CB GLU A 57 -4.811 6.535 3.814 1.00 0.00 C ATOM 794 CG GLU A 57 -6.154 7.137 4.196 1.00 0.00 C ATOM 795 CD GLU A 57 -7.079 6.130 4.849 1.00 0.00 C ATOM 796 OE1 GLU A 57 -7.262 5.034 4.278 1.00 0.00 O ATOM 797 OE2 GLU A 57 -7.622 6.437 5.931 1.00 0.00 O ATOM 0 H GLU A 57 -3.154 4.866 2.886 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.701 5.928 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.636 5.644 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.021 7.245 4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.993 7.972 4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.634 7.541 3.305 1.00 0.00 H new ATOM 804 N LEU A 58 -4.959 7.860 0.621 1.00 0.00 N ATOM 805 CA LEU A 58 -4.549 8.988 -0.206 1.00 0.00 C ATOM 806 C LEU A 58 -5.089 10.298 0.356 1.00 0.00 C ATOM 807 O LEU A 58 -6.300 10.517 0.396 1.00 0.00 O ATOM 808 CB LEU A 58 -5.037 8.796 -1.643 1.00 0.00 C ATOM 809 CG LEU A 58 -4.754 7.418 -2.245 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.503 7.245 -3.557 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.260 7.225 -2.451 1.00 0.00 C ATOM 0 H LEU A 58 -5.902 7.519 0.432 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.460 9.034 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.112 8.975 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.571 9.553 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.106 6.657 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.290 6.259 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.574 7.340 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.183 8.012 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.076 6.240 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.884 7.992 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.747 7.305 -1.492 1.00 0.00 H new ATOM 823 N ASP A 59 -4.183 11.169 0.788 1.00 0.00 N ATOM 824 CA ASP A 59 -4.567 12.459 1.347 1.00 0.00 C ATOM 825 C ASP A 59 -5.368 13.275 0.337 1.00 0.00 C ATOM 826 O ASP A 59 -6.229 14.072 0.710 1.00 0.00 O ATOM 827 CB ASP A 59 -3.324 13.240 1.783 1.00 0.00 C ATOM 828 CG ASP A 59 -3.482 13.859 3.157 1.00 0.00 C ATOM 829 OD1 ASP A 59 -4.197 13.270 3.995 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.891 14.933 3.397 1.00 0.00 O ATOM 0 H ASP A 59 -3.177 11.004 0.761 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.197 12.276 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.462 12.573 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.118 14.025 1.055 1.00 0.00 H new ATOM 835 N LEU A 60 -5.080 13.069 -0.944 1.00 0.00 N ATOM 836 CA LEU A 60 -5.774 13.784 -2.009 1.00 0.00 C ATOM 837 C LEU A 60 -6.813 12.888 -2.680 1.00 0.00 C ATOM 838 O LEU A 60 -6.654 11.669 -2.729 1.00 0.00 O ATOM 839 CB LEU A 60 -4.772 14.290 -3.049 1.00 0.00 C ATOM 840 CG LEU A 60 -3.819 15.381 -2.554 1.00 0.00 C ATOM 841 CD1 LEU A 60 -2.392 15.087 -2.990 1.00 0.00 C ATOM 842 CD2 LEU A 60 -4.263 16.746 -3.059 1.00 0.00 C ATOM 0 H LEU A 60 -4.371 12.413 -1.270 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.288 14.636 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.181 13.445 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.324 14.673 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.847 15.391 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.731 15.875 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.075 14.129 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.345 15.046 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.574 17.509 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.266 16.747 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.267 16.961 -2.693 1.00 0.00 H new ATOM 854 N PRO A 61 -7.894 13.485 -3.209 1.00 0.00 N ATOM 855 CA PRO A 61 -8.961 12.734 -3.880 1.00 0.00 C ATOM 856 C PRO A 61 -8.510 12.159 -5.218 1.00 0.00 C ATOM 857 O PRO A 61 -8.360 12.887 -6.199 1.00 0.00 O ATOM 858 CB PRO A 61 -10.056 13.782 -4.090 1.00 0.00 C ATOM 859 CG PRO A 61 -9.330 15.083 -4.131 1.00 0.00 C ATOM 860 CD PRO A 61 -8.162 14.935 -3.196 1.00 0.00 C ATOM 0 HA PRO A 61 -9.284 11.873 -3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.602 13.604 -5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.785 13.761 -3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.994 15.310 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.978 15.902 -3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.299 15.506 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.402 15.290 -2.194 1.00 0.00 H new ATOM 868 N SER A 62 -8.294 10.849 -5.250 1.00 0.00 N ATOM 869 CA SER A 62 -7.859 10.175 -6.468 1.00 0.00 C ATOM 870 C SER A 62 -7.819 8.663 -6.270 1.00 0.00 C ATOM 871 O SER A 62 -6.930 7.982 -6.781 1.00 0.00 O ATOM 872 CB SER A 62 -6.479 10.682 -6.891 1.00 0.00 C ATOM 873 OG SER A 62 -6.325 10.629 -8.298 1.00 0.00 O ATOM 0 H SER A 62 -8.413 10.232 -4.446 1.00 0.00 H new ATOM 0 HA SER A 62 -8.579 10.401 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.343 11.707 -6.546 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.705 10.080 -6.415 1.00 0.00 H new ATOM 0 HG SER A 62 -5.435 10.960 -8.542 1.00 0.00 H new ATOM 879 N GLY A 63 -8.790 8.144 -5.524 1.00 0.00 N ATOM 880 CA GLY A 63 -8.847 6.717 -5.271 1.00 0.00 C ATOM 881 C GLY A 63 -9.991 6.043 -6.002 1.00 0.00 C ATOM 882 O GLY A 63 -10.308 6.400 -7.137 1.00 0.00 O ATOM 0 H GLY A 63 -9.537 8.687 -5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.906 6.259 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.953 6.545 -4.200 1.00 0.00 H new ATOM 886 N LYS A 64 -10.614 5.068 -5.349 1.00 0.00 N ATOM 887 CA LYS A 64 -11.730 4.340 -5.942 1.00 0.00 C ATOM 888 C LYS A 64 -12.709 3.882 -4.866 1.00 0.00 C ATOM 889 O LYS A 64 -13.903 4.175 -4.934 1.00 0.00 O ATOM 890 CB LYS A 64 -11.219 3.133 -6.730 1.00 0.00 C ATOM 891 CG LYS A 64 -12.317 2.364 -7.446 1.00 0.00 C ATOM 892 CD LYS A 64 -12.039 0.868 -7.451 1.00 0.00 C ATOM 893 CE LYS A 64 -12.363 0.245 -8.798 1.00 0.00 C ATOM 894 NZ LYS A 64 -11.463 -0.899 -9.113 1.00 0.00 N ATOM 0 H LYS A 64 -10.365 4.763 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.251 5.013 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.487 3.472 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.700 2.459 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.273 2.556 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.404 2.722 -8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.991 0.691 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.631 0.384 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.398 -0.096 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.275 1.001 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.717 -1.296 -10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.477 -0.569 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.565 -1.632 -8.383 1.00 0.00 H new ATOM 908 N ASN A 65 -12.195 3.164 -3.875 1.00 0.00 N ATOM 909 CA ASN A 65 -13.022 2.667 -2.783 1.00 0.00 C ATOM 910 C ASN A 65 -13.026 3.648 -1.617 1.00 0.00 C ATOM 911 O ASN A 65 -11.974 4.123 -1.189 1.00 0.00 O ATOM 912 CB ASN A 65 -12.518 1.301 -2.315 1.00 0.00 C ATOM 913 CG ASN A 65 -11.056 1.331 -1.916 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.676 2.007 -0.960 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.227 0.597 -2.649 1.00 0.00 N ATOM 0 H ASN A 65 -11.209 2.913 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.043 2.562 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.116 0.967 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.659 0.572 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.231 0.578 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.586 0.052 -3.433 1.00 0.00 H new ATOM 922 N ASP A 66 -14.215 3.947 -1.107 1.00 0.00 N ATOM 923 CA ASP A 66 -14.356 4.873 0.010 1.00 0.00 C ATOM 924 C ASP A 66 -14.197 4.150 1.346 1.00 0.00 C ATOM 925 O ASP A 66 -15.055 4.249 2.223 1.00 0.00 O ATOM 926 CB ASP A 66 -15.715 5.573 -0.050 1.00 0.00 C ATOM 927 CG ASP A 66 -15.995 6.176 -1.412 1.00 0.00 C ATOM 928 OD1 ASP A 66 -15.061 6.753 -2.010 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.147 6.072 -1.883 1.00 0.00 O ATOM 0 H ASP A 66 -15.095 3.562 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.567 5.620 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.500 4.858 0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.750 6.358 0.706 1.00 0.00 H new ATOM 934 N GLY A 67 -13.093 3.425 1.495 1.00 0.00 N ATOM 935 CA GLY A 67 -12.842 2.703 2.728 1.00 0.00 C ATOM 936 C GLY A 67 -13.226 1.238 2.642 1.00 0.00 C ATOM 937 O GLY A 67 -12.545 0.379 3.200 1.00 0.00 O ATOM 0 H GLY A 67 -12.368 3.325 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.785 2.782 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.400 3.173 3.538 1.00 0.00 H new ATOM 941 N SER A 68 -14.323 0.951 1.946 1.00 0.00 N ATOM 942 CA SER A 68 -14.794 -0.423 1.800 1.00 0.00 C ATOM 943 C SER A 68 -14.834 -0.839 0.333 1.00 0.00 C ATOM 944 O SER A 68 -14.899 0.003 -0.562 1.00 0.00 O ATOM 945 CB SER A 68 -16.182 -0.575 2.423 1.00 0.00 C ATOM 946 OG SER A 68 -17.159 0.128 1.673 1.00 0.00 O ATOM 0 H SER A 68 -14.900 1.648 1.476 1.00 0.00 H new ATOM 0 HA SER A 68 -14.093 -1.075 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.448 -1.631 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.167 -0.202 3.447 1.00 0.00 H new ATOM 0 HG SER A 68 -18.038 0.013 2.091 1.00 0.00 H new ATOM 952 N ILE A 69 -14.798 -2.148 0.097 1.00 0.00 N ATOM 953 CA ILE A 69 -14.832 -2.685 -1.258 1.00 0.00 C ATOM 954 C ILE A 69 -15.771 -3.883 -1.348 1.00 0.00 C ATOM 955 O ILE A 69 -15.600 -4.873 -0.638 1.00 0.00 O ATOM 956 CB ILE A 69 -13.428 -3.111 -1.729 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.422 -1.984 -1.494 1.00 0.00 C ATOM 958 CG2 ILE A 69 -13.458 -3.502 -3.200 1.00 0.00 C ATOM 959 CD1 ILE A 69 -10.987 -2.392 -1.744 1.00 0.00 C ATOM 0 H ILE A 69 -14.745 -2.856 0.829 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.198 -1.889 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.115 -3.979 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.671 -1.145 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.517 -1.631 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.459 -3.800 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.147 -4.334 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.789 -2.652 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.330 -1.543 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.720 -3.211 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.876 -2.717 -2.779 1.00 0.00 H new ATOM 971 N GLY A 70 -16.763 -3.787 -2.227 1.00 0.00 N ATOM 972 CA GLY A 70 -17.713 -4.871 -2.395 1.00 0.00 C ATOM 973 C GLY A 70 -18.458 -5.194 -1.114 1.00 0.00 C ATOM 974 O GLY A 70 -18.867 -6.335 -0.897 1.00 0.00 O ATOM 0 H GLY A 70 -16.926 -2.978 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.430 -4.604 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.187 -5.761 -2.740 1.00 0.00 H new ATOM 978 N GLY A 71 -18.637 -4.187 -0.265 1.00 0.00 N ATOM 979 CA GLY A 71 -19.340 -4.391 0.989 1.00 0.00 C ATOM 980 C GLY A 71 -18.407 -4.408 2.184 1.00 0.00 C ATOM 981 O GLY A 71 -18.525 -3.578 3.084 1.00 0.00 O ATOM 0 H GLY A 71 -18.308 -3.234 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.078 -3.600 1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.887 -5.333 0.946 1.00 0.00 H new ATOM 985 N LYS A 72 -17.476 -5.357 2.192 1.00 0.00 N ATOM 986 CA LYS A 72 -16.519 -5.479 3.287 1.00 0.00 C ATOM 987 C LYS A 72 -15.686 -4.209 3.425 1.00 0.00 C ATOM 988 O LYS A 72 -15.211 -3.655 2.434 1.00 0.00 O ATOM 989 CB LYS A 72 -15.603 -6.683 3.061 1.00 0.00 C ATOM 990 CG LYS A 72 -14.600 -6.903 4.182 1.00 0.00 C ATOM 991 CD LYS A 72 -14.421 -8.381 4.488 1.00 0.00 C ATOM 992 CE LYS A 72 -15.615 -8.943 5.243 1.00 0.00 C ATOM 993 NZ LYS A 72 -15.279 -10.209 5.952 1.00 0.00 N ATOM 0 H LYS A 72 -17.364 -6.052 1.454 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.079 -5.627 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.214 -7.579 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.064 -6.548 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.640 -6.469 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.936 -6.383 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.285 -8.932 3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.516 -8.524 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.968 -8.206 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.433 -9.124 4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.120 -10.559 6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.966 -10.921 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.516 -10.032 6.636 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.513 -3.753 4.661 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.737 -2.547 4.929 1.00 0.00 C ATOM 1009 C GLN A 73 -13.429 -2.885 5.639 1.00 0.00 C ATOM 1010 O GLN A 73 -13.321 -3.916 6.303 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.551 -1.569 5.778 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.926 -0.187 5.883 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.927 0.877 6.286 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.707 0.691 7.220 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -15.911 2.002 5.580 1.00 0.00 N ATOM 0 H GLN A 73 -15.899 -4.200 5.493 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.500 -2.080 3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.550 -1.475 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.669 -1.982 6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.116 -0.213 6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.483 0.081 4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.247 2.114 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.562 2.754 5.804 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.440 -2.010 5.493 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.139 -2.214 6.120 1.00 0.00 C ATOM 1026 C TYR A 74 -10.715 -0.980 6.909 1.00 0.00 C ATOM 1027 O TYR A 74 -10.299 -1.081 8.063 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.085 -2.543 5.061 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.398 -3.784 4.257 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -10.368 -5.042 4.847 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -10.724 -3.700 2.910 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -10.655 -6.180 4.116 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -11.011 -4.833 2.172 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.975 -6.069 2.780 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.260 -7.200 2.049 1.00 0.00 O ATOM 0 H TYR A 74 -12.514 -1.152 4.946 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.225 -3.053 6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.988 -1.696 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.119 -2.672 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.116 -5.132 5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.754 -2.733 2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.629 -7.150 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.262 -4.750 1.125 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.466 -6.949 1.125 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.825 0.185 6.278 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.452 1.440 6.920 1.00 0.00 C ATOM 1047 C PHE A 75 -11.443 2.546 6.570 1.00 0.00 C ATOM 1048 O PHE A 75 -11.997 2.570 5.470 1.00 0.00 O ATOM 1049 CB PHE A 75 -9.041 1.854 6.499 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.864 1.954 5.011 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -9.468 2.976 4.295 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.094 1.027 4.327 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -9.307 3.070 2.925 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -7.929 1.116 2.958 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.537 2.139 2.256 1.00 0.00 C ATOM 0 H PHE A 75 -11.169 0.286 5.323 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.472 1.286 7.999 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.804 2.817 6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.326 1.132 6.894 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.071 3.707 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.617 0.225 4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.783 3.871 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.326 0.387 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.410 2.210 1.186 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.663 3.458 7.511 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.587 4.566 7.301 1.00 0.00 C ATOM 1067 C ARG A 76 -11.930 5.897 7.653 1.00 0.00 C ATOM 1068 O ARG A 76 -11.302 6.033 8.702 1.00 0.00 O ATOM 1069 CB ARG A 76 -13.852 4.368 8.140 1.00 0.00 C ATOM 1070 CG ARG A 76 -15.139 4.592 7.363 1.00 0.00 C ATOM 1071 CD ARG A 76 -15.480 6.071 7.266 1.00 0.00 C ATOM 1072 NE ARG A 76 -15.486 6.718 8.575 1.00 0.00 N ATOM 1073 CZ ARG A 76 -16.429 6.521 9.495 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -17.441 5.698 9.253 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -16.358 7.151 10.661 1.00 0.00 N ATOM 0 H ARG A 76 -11.214 3.451 8.427 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.859 4.585 6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.854 3.356 8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.826 5.052 8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.038 4.174 6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.957 4.060 7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.757 6.568 6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.458 6.188 6.799 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.724 7.358 8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.500 5.212 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.160 5.551 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.582 7.785 10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.079 7.001 11.366 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.081 6.877 6.767 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.503 8.198 6.983 1.00 0.00 C ATOM 1091 C CYS A 77 -12.351 9.277 6.317 1.00 0.00 C ATOM 1092 O CYS A 77 -12.723 10.267 6.947 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.074 8.248 6.440 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.955 9.292 7.404 1.00 0.00 S ATOM 0 H CYS A 77 -12.599 6.781 5.893 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.482 8.388 8.056 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.673 7.235 6.409 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.099 8.612 5.413 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.771 9.269 6.869 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.653 9.077 5.038 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.457 10.031 4.283 1.00 0.00 C ATOM 1102 C ASN A 78 -13.801 9.479 2.902 1.00 0.00 C ATOM 1103 O ASN A 78 -13.023 8.729 2.313 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.712 11.362 4.146 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.361 12.473 4.949 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -14.522 12.372 5.346 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -12.612 13.543 5.191 1.00 0.00 N ATOM 0 H ASN A 78 -12.353 8.262 4.503 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.386 10.199 4.828 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.681 11.234 4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.677 11.649 3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.995 14.323 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.654 13.584 4.843 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.979 9.843 2.364 1.00 0.00 N ATOM 1115 CA PRO A 79 -15.421 9.379 1.046 1.00 0.00 C ATOM 1116 C PRO A 79 -14.599 9.986 -0.087 1.00 0.00 C ATOM 1117 O PRO A 79 -14.667 11.187 -0.343 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.872 9.857 0.966 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.938 11.027 1.885 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.968 10.736 2.998 1.00 0.00 C ATOM 0 HA PRO A 79 -15.307 8.300 0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.140 10.138 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.564 9.073 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.671 11.947 1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.948 11.162 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.503 11.647 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.459 10.255 3.844 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.822 9.144 -0.761 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.998 9.616 -1.859 1.00 0.00 C ATOM 1130 C GLY A 80 -11.570 9.897 -1.432 1.00 0.00 C ATOM 1131 O GLY A 80 -10.896 10.743 -2.018 1.00 0.00 O ATOM 0 H GLY A 80 -13.748 8.145 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.996 8.871 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.436 10.524 -2.274 1.00 0.00 H new ATOM 1135 N TYR A 81 -11.110 9.186 -0.408 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.754 9.364 0.097 1.00 0.00 C ATOM 1137 C TYR A 81 -9.163 8.033 0.550 1.00 0.00 C ATOM 1138 O TYR A 81 -8.385 7.978 1.502 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.746 10.360 1.258 1.00 0.00 C ATOM 1140 CG TYR A 81 -10.191 11.751 0.866 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.540 12.069 0.771 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -9.261 12.746 0.592 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.950 13.339 0.413 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.664 14.019 0.234 1.00 0.00 C ATOM 1145 CZ TYR A 81 -11.009 14.310 0.146 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.414 15.577 -0.211 1.00 0.00 O ATOM 0 H TYR A 81 -11.656 8.482 0.088 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.140 9.757 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.398 9.989 2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.740 10.413 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.280 11.311 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -8.207 12.522 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.003 13.570 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.929 14.782 0.024 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.627 16.141 -0.364 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.538 6.960 -0.141 1.00 0.00 N ATOM 1157 CA GLY A 82 -9.035 5.643 0.205 1.00 0.00 C ATOM 1158 C GLY A 82 -8.793 4.778 -1.016 1.00 0.00 C ATOM 1159 O GLY A 82 -9.423 4.970 -2.056 1.00 0.00 O ATOM 0 H GLY A 82 -10.180 6.979 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.105 5.747 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.748 5.146 0.863 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.878 3.823 -0.891 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.553 2.925 -1.993 1.00 0.00 C ATOM 1165 C LEU A 83 -6.878 1.656 -1.480 1.00 0.00 C ATOM 1166 O LEU A 83 -6.306 1.642 -0.390 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.643 3.629 -3.001 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.632 3.016 -4.402 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.962 3.254 -5.100 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.486 3.589 -5.224 1.00 0.00 C ATOM 0 H LEU A 83 -7.348 3.651 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.483 2.646 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.951 4.671 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.625 3.626 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.483 1.940 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.935 2.811 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.764 2.796 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.142 4.326 -5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.492 3.142 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.605 4.669 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.539 3.367 -4.732 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.950 0.592 -2.273 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.346 -0.681 -1.898 1.00 0.00 C ATOM 1184 C LEU A 84 -5.598 -1.295 -3.078 1.00 0.00 C ATOM 1185 O LEU A 84 -6.209 -1.739 -4.051 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.421 -1.650 -1.395 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.444 -1.859 0.120 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.864 -2.113 0.603 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.532 -3.012 0.511 1.00 0.00 C ATOM 0 H LEU A 84 -7.420 0.586 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.631 -0.496 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.397 -1.282 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.273 -2.616 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.077 -0.951 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.860 -2.259 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.491 -1.257 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.259 -3.005 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.560 -3.147 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.870 -3.926 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.511 -2.790 0.199 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.272 -1.315 -2.984 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.439 -1.874 -4.042 1.00 0.00 C ATOM 1203 C VAL A 85 -2.548 -2.989 -3.508 1.00 0.00 C ATOM 1204 O VAL A 85 -2.392 -3.146 -2.297 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.554 -0.792 -4.690 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.396 0.160 -5.525 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.775 -0.033 -3.626 1.00 0.00 C ATOM 0 H VAL A 85 -3.752 -0.950 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.114 -2.281 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.840 -1.282 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.752 0.917 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.904 -0.398 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.136 0.645 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.155 0.727 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.471 0.445 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.140 -0.727 -3.076 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.964 -3.761 -4.419 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.087 -4.861 -4.037 1.00 0.00 C ATOM 1219 C ARG A 86 0.293 -4.342 -3.639 1.00 0.00 C ATOM 1220 O ARG A 86 0.683 -3.239 -4.019 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.956 -5.861 -5.188 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.293 -6.328 -5.742 1.00 0.00 C ATOM 1223 CD ARG A 86 -3.070 -7.136 -4.713 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.704 -8.311 -5.305 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.059 -9.443 -5.580 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -1.762 -9.555 -5.318 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.711 -10.465 -6.118 1.00 0.00 N ATOM 0 H ARG A 86 -2.082 -3.645 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.529 -5.364 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.379 -5.404 -5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.392 -6.728 -4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.883 -5.464 -6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.128 -6.934 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.397 -7.450 -3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.832 -6.504 -4.256 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.700 -8.262 -5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.256 -8.772 -4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.272 -10.424 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.707 -10.384 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.216 -11.332 -6.328 1.00 0.00 H new ATOM 1241 N PRO A 87 1.053 -5.135 -2.863 1.00 0.00 N ATOM 1242 CA PRO A 87 2.394 -4.749 -2.414 1.00 0.00 C ATOM 1243 C PRO A 87 3.287 -4.309 -3.569 1.00 0.00 C ATOM 1244 O PRO A 87 4.132 -3.427 -3.414 1.00 0.00 O ATOM 1245 CB PRO A 87 2.938 -6.027 -1.773 1.00 0.00 C ATOM 1246 CG PRO A 87 1.726 -6.781 -1.347 1.00 0.00 C ATOM 1247 CD PRO A 87 0.664 -6.468 -2.364 1.00 0.00 C ATOM 0 HA PRO A 87 2.366 -3.896 -1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.534 -6.603 -2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.583 -5.801 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.926 -7.852 -1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.410 -6.480 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.644 -7.207 -3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.330 -6.456 -1.917 1.00 0.00 H new ATOM 1255 N SER A 88 3.091 -4.929 -4.725 1.00 0.00 N ATOM 1256 CA SER A 88 3.874 -4.602 -5.911 1.00 0.00 C ATOM 1257 C SER A 88 3.658 -3.150 -6.323 1.00 0.00 C ATOM 1258 O SER A 88 4.527 -2.534 -6.940 1.00 0.00 O ATOM 1259 CB SER A 88 3.503 -5.534 -7.066 1.00 0.00 C ATOM 1260 OG SER A 88 4.350 -6.670 -7.098 1.00 0.00 O ATOM 0 H SER A 88 2.396 -5.662 -4.868 1.00 0.00 H new ATOM 0 HA SER A 88 4.928 -4.738 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.466 -5.853 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.577 -4.995 -8.010 1.00 0.00 H new ATOM 0 HG SER A 88 4.091 -7.250 -7.844 1.00 0.00 H new ATOM 1266 N ARG A 89 2.495 -2.607 -5.977 1.00 0.00 N ATOM 1267 CA ARG A 89 2.167 -1.226 -6.311 1.00 0.00 C ATOM 1268 C ARG A 89 2.439 -0.299 -5.130 1.00 0.00 C ATOM 1269 O ARG A 89 1.786 0.733 -4.976 1.00 0.00 O ATOM 1270 CB ARG A 89 0.700 -1.117 -6.732 1.00 0.00 C ATOM 1271 CG ARG A 89 0.468 -1.390 -8.209 1.00 0.00 C ATOM 1272 CD ARG A 89 0.539 -0.113 -9.030 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.063 -0.276 -10.351 1.00 0.00 N ATOM 1274 CZ ARG A 89 0.550 -0.861 -11.378 1.00 0.00 C ATOM 1275 NH1 ARG A 89 1.780 -1.341 -11.240 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.069 -0.967 -12.545 1.00 0.00 N ATOM 0 H ARG A 89 1.764 -3.102 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 89 2.802 -0.920 -7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.109 -1.819 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.336 -0.117 -6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.214 -2.098 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.507 -1.857 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.030 0.690 -8.496 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.580 0.189 -9.141 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.008 0.079 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.260 -1.263 -10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.245 -1.788 -12.030 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.014 -0.601 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.400 -1.415 -13.332 1.00 0.00 H new ATOM 1290 N VAL A 90 3.404 -0.675 -4.296 1.00 0.00 N ATOM 1291 CA VAL A 90 3.761 0.123 -3.130 1.00 0.00 C ATOM 1292 C VAL A 90 5.266 0.102 -2.888 1.00 0.00 C ATOM 1293 O VAL A 90 5.878 -0.964 -2.816 1.00 0.00 O ATOM 1294 CB VAL A 90 3.042 -0.379 -1.864 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.265 0.580 -0.706 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.556 -0.567 -2.132 1.00 0.00 C ATOM 0 H VAL A 90 3.952 -1.528 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 90 3.444 1.145 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 90 3.463 -1.346 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.749 0.208 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.332 0.658 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.874 1.563 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.065 -0.922 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.117 0.384 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.420 -1.298 -2.929 1.00 0.00 H new ATOM 1306 N ARG A 91 5.857 1.285 -2.762 1.00 0.00 N ATOM 1307 CA ARG A 91 7.292 1.402 -2.527 1.00 0.00 C ATOM 1308 C ARG A 91 7.576 2.299 -1.327 1.00 0.00 C ATOM 1309 O ARG A 91 6.734 3.104 -0.926 1.00 0.00 O ATOM 1310 CB ARG A 91 7.988 1.960 -3.770 1.00 0.00 C ATOM 1311 CG ARG A 91 7.638 1.216 -5.048 1.00 0.00 C ATOM 1312 CD ARG A 91 8.620 1.535 -6.165 1.00 0.00 C ATOM 1313 NE ARG A 91 8.476 0.622 -7.296 1.00 0.00 N ATOM 1314 CZ ARG A 91 7.506 0.713 -8.204 1.00 0.00 C ATOM 1315 NH1 ARG A 91 6.594 1.673 -8.116 1.00 0.00 N ATOM 1316 NH2 ARG A 91 7.450 -0.157 -9.202 1.00 0.00 N ATOM 0 H ARG A 91 5.365 2.177 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 91 7.683 0.407 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.720 3.010 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.067 1.921 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.638 0.143 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.629 1.484 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.464 2.559 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.638 1.478 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 91 9.158 -0.129 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.634 2.346 -7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.853 1.738 -8.814 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.150 -0.896 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.707 -0.088 -9.898 1.00 0.00 H new ATOM 1330 N ARG A 92 8.766 2.152 -0.754 1.00 0.00 N ATOM 1331 CA ARG A 92 9.162 2.948 0.402 1.00 0.00 C ATOM 1332 C ARG A 92 9.547 4.364 -0.018 1.00 0.00 C ATOM 1333 O ARG A 92 10.251 4.558 -1.010 1.00 0.00 O ATOM 1334 CB ARG A 92 10.332 2.283 1.129 1.00 0.00 C ATOM 1335 CG ARG A 92 10.266 2.421 2.641 1.00 0.00 C ATOM 1336 CD ARG A 92 11.193 1.434 3.333 1.00 0.00 C ATOM 1337 NE ARG A 92 11.949 2.059 4.416 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.059 1.542 4.940 1.00 0.00 C ATOM 1339 NH1 ARG A 92 13.544 0.394 4.485 1.00 0.00 N ATOM 1340 NH2 ARG A 92 13.685 2.176 5.922 1.00 0.00 N ATOM 0 H ARG A 92 9.473 1.489 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 92 8.310 3.008 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.356 1.225 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.265 2.719 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.537 3.437 2.927 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.242 2.257 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.608 0.605 3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.885 1.014 2.603 1.00 0.00 H new ATOM 0 HE ARG A 92 11.607 2.943 4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.066 -0.098 3.730 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.394 0.003 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.316 3.059 6.276 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.535 1.781 6.324 1.00 0.00 H new ATOM 1354 N ALA A 93 9.082 5.348 0.743 1.00 0.00 N ATOM 1355 CA ALA A 93 9.377 6.745 0.449 1.00 0.00 C ATOM 1356 C ALA A 93 10.416 7.301 1.417 1.00 0.00 C ATOM 1357 O ALA A 93 11.487 7.747 1.005 1.00 0.00 O ATOM 1358 CB ALA A 93 8.104 7.577 0.505 1.00 0.00 C ATOM 0 H ALA A 93 8.499 5.204 1.568 1.00 0.00 H new ATOM 0 HA ALA A 93 9.790 6.799 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.340 8.618 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.392 7.202 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.668 7.508 1.502 1.00 0.00 H new ATOM 1364 N THR A 94 10.093 7.270 2.706 1.00 0.00 N ATOM 1365 CA THR A 94 11.000 7.771 3.734 1.00 0.00 C ATOM 1366 C THR A 94 11.298 9.252 3.521 1.00 0.00 C ATOM 1367 O THR A 94 12.404 9.717 3.794 1.00 0.00 O ATOM 1368 CB THR A 94 12.303 6.970 3.727 1.00 0.00 C ATOM 1369 OG1 THR A 94 12.039 5.583 3.621 1.00 0.00 O ATOM 1370 CG2 THR A 94 13.143 7.185 4.967 1.00 0.00 C ATOM 0 H THR A 94 9.211 6.904 3.064 1.00 0.00 H new ATOM 0 HA THR A 94 10.514 7.653 4.702 1.00 0.00 H new ATOM 0 HB THR A 94 12.860 7.332 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.885 5.088 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.053 6.588 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.406 8.240 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.576 6.882 5.847 1.00 0.00 H new ATOM 1378 N SER A 95 10.304 9.986 3.032 1.00 0.00 N ATOM 1379 CA SER A 95 10.459 11.414 2.783 1.00 0.00 C ATOM 1380 C SER A 95 10.798 12.158 4.071 1.00 0.00 C ATOM 1381 O SER A 95 10.801 11.573 5.155 1.00 0.00 O ATOM 1382 CB SER A 95 9.180 11.988 2.171 1.00 0.00 C ATOM 1383 OG SER A 95 9.479 12.974 1.197 1.00 0.00 O ATOM 0 H SER A 95 9.382 9.615 2.800 1.00 0.00 H new ATOM 0 HA SER A 95 11.282 11.547 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.599 11.186 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.561 12.423 2.956 1.00 0.00 H new ATOM 0 HG SER A 95 8.645 13.324 0.819 1.00 0.00 H new ATOM 1389 N GLY A 96 11.084 13.450 3.945 1.00 0.00 N ATOM 1390 CA GLY A 96 11.420 14.251 5.106 1.00 0.00 C ATOM 1391 C GLY A 96 12.905 14.225 5.420 1.00 0.00 C ATOM 1392 O GLY A 96 13.305 13.785 6.497 1.00 0.00 O ATOM 0 H GLY A 96 11.089 13.956 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.106 15.281 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.863 13.886 5.969 1.00 0.00 H new ATOM 1396 N PRO A 97 13.753 14.696 4.489 1.00 0.00 N ATOM 1397 CA PRO A 97 15.206 14.719 4.685 1.00 0.00 C ATOM 1398 C PRO A 97 15.632 15.740 5.735 1.00 0.00 C ATOM 1399 O PRO A 97 16.554 15.498 6.512 1.00 0.00 O ATOM 1400 CB PRO A 97 15.746 15.112 3.308 1.00 0.00 C ATOM 1401 CG PRO A 97 14.633 15.864 2.665 1.00 0.00 C ATOM 1402 CD PRO A 97 13.362 15.240 3.174 1.00 0.00 C ATOM 0 HA PRO A 97 15.583 13.763 5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.641 15.728 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 97 16.019 14.233 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.678 16.922 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.693 15.797 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.562 15.974 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.003 14.457 2.506 1.00 0.00 H new ATOM 1410 N SER A 98 14.954 16.884 5.750 1.00 0.00 N ATOM 1411 CA SER A 98 15.262 17.942 6.704 1.00 0.00 C ATOM 1412 C SER A 98 13.985 18.519 7.307 1.00 0.00 C ATOM 1413 O SER A 98 13.882 18.689 8.522 1.00 0.00 O ATOM 1414 CB SER A 98 16.066 19.052 6.025 1.00 0.00 C ATOM 1415 OG SER A 98 17.459 18.841 6.179 1.00 0.00 O ATOM 0 H SER A 98 14.188 17.101 5.112 1.00 0.00 H new ATOM 0 HA SER A 98 15.859 17.510 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.816 19.090 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.792 20.017 6.452 1.00 0.00 H new ATOM 0 HG SER A 98 17.950 19.563 5.735 1.00 0.00 H new ATOM 1421 N SER A 99 13.016 18.819 6.449 1.00 0.00 N ATOM 1422 CA SER A 99 11.745 19.377 6.897 1.00 0.00 C ATOM 1423 C SER A 99 10.704 18.279 7.082 1.00 0.00 C ATOM 1424 O SER A 99 11.003 17.094 6.931 1.00 0.00 O ATOM 1425 CB SER A 99 11.238 20.413 5.892 1.00 0.00 C ATOM 1426 OG SER A 99 12.166 21.472 5.737 1.00 0.00 O ATOM 0 H SER A 99 13.086 18.685 5.440 1.00 0.00 H new ATOM 0 HA SER A 99 11.908 19.863 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.064 19.934 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.280 20.811 6.228 1.00 0.00 H new ATOM 0 HG SER A 99 11.818 22.119 5.088 1.00 0.00 H new ATOM 1432 N GLY A 100 9.480 18.680 7.411 1.00 0.00 N ATOM 1433 CA GLY A 100 8.413 17.718 7.611 1.00 0.00 C ATOM 1434 C GLY A 100 7.103 18.166 6.992 1.00 0.00 C ATOM 1435 O GLY A 100 6.086 18.203 7.716 1.00 0.00 O ATOM 1436 OXT GLY A 100 7.096 18.479 5.783 1.00 0.00 O ATOM 0 H GLY A 100 9.209 19.654 7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.706 16.761 7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 100 8.270 17.556 8.679 1.00 0.00 H new TER 1440 GLY A 100