USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot -87:sc= 0.691 USER MOD Set 1.2: A 84 TYR OH : rot 130:sc= 0.614 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.083) USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.00928 X(o=0.0093,f=-0.43) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 49:sc= 0.72 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.069 K(o=-0.069,f=-2.5!) USER MOD Single : A 35 THR OG1 : rot -61:sc= 0.947 USER MOD Single : A 39 ASN : amide:sc= -0.0731 K(o=-0.073,f=-3.3!) USER MOD Single : A 41 LYS NZ :NH3+ -119:sc= 1.16 (180deg=0.494) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.088 X(o=0.088,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -138:sc= 1.24 (180deg=-0.217) USER MOD Single : A 64 LYS NZ :NH3+ 134:sc= 1.24 (180deg=0.441) USER MOD Single : A 65 SER OG : rot -73:sc= 1.32 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.252 F(o=-3!,f=-0.25) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 90:sc= -0.0884 USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 25:sc= 0.88 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -9.919 9.629 0.691 1.00 0.00 N ATOM 20 CA SER A 2 -8.892 9.231 1.604 1.00 0.00 C ATOM 21 C SER A 2 -9.412 8.518 2.805 1.00 0.00 C ATOM 22 O SER A 2 -8.717 7.705 3.412 1.00 0.00 O ATOM 23 CB SER A 2 -8.046 10.436 2.048 1.00 0.00 C ATOM 24 OG SER A 2 -6.769 10.030 2.519 1.00 0.00 O ATOM 0 HA SER A 2 -8.268 8.527 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.925 11.125 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.569 10.979 2.835 1.00 0.00 H new ATOM 0 HG SER A 2 -6.255 10.819 2.792 1.00 0.00 H new ATOM 30 N GLN A 3 -10.679 8.731 3.202 1.00 0.00 N ATOM 31 CA GLN A 3 -11.278 7.942 4.233 1.00 0.00 C ATOM 32 C GLN A 3 -11.666 6.582 3.764 1.00 0.00 C ATOM 33 O GLN A 3 -11.470 5.571 4.438 1.00 0.00 O ATOM 34 CB GLN A 3 -12.496 8.650 4.849 1.00 0.00 C ATOM 35 CG GLN A 3 -12.143 9.911 5.639 1.00 0.00 C ATOM 36 CD GLN A 3 -11.367 9.569 6.902 1.00 0.00 C ATOM 37 OE1 GLN A 3 -11.950 9.261 7.941 1.00 0.00 O ATOM 38 NE2 GLN A 3 -10.010 9.605 6.823 1.00 0.00 N ATOM 0 H GLN A 3 -11.288 9.449 2.810 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.513 7.822 5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.192 8.914 4.053 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.015 7.953 5.508 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.551 10.580 5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.056 10.445 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.557 9.864 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.445 9.373 7.640 1.00 0.00 H new ATOM 47 N LEU A 4 -12.184 6.495 2.526 1.00 0.00 N ATOM 48 CA LEU A 4 -12.583 5.266 1.913 1.00 0.00 C ATOM 49 C LEU A 4 -11.421 4.358 1.699 1.00 0.00 C ATOM 50 O LEU A 4 -11.480 3.141 1.871 1.00 0.00 O ATOM 51 CB LEU A 4 -13.150 5.498 0.502 1.00 0.00 C ATOM 52 CG LEU A 4 -13.689 4.199 -0.121 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.734 3.500 0.764 1.00 0.00 C ATOM 54 CD2 LEU A 4 -14.313 4.496 -1.496 1.00 0.00 C ATOM 0 H LEU A 4 -12.330 7.310 1.930 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.322 4.837 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.950 6.237 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.371 5.912 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.839 3.525 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -15.077 2.590 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.286 3.246 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.581 4.168 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.692 3.571 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.133 5.205 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.556 4.923 -2.154 1.00 0.00 H new ATOM 66 N PHE A 5 -10.291 4.988 1.331 1.00 0.00 N ATOM 67 CA PHE A 5 -8.990 4.402 1.241 1.00 0.00 C ATOM 68 C PHE A 5 -8.662 3.583 2.441 1.00 0.00 C ATOM 69 O PHE A 5 -8.207 2.448 2.318 1.00 0.00 O ATOM 70 CB PHE A 5 -8.018 5.552 0.927 1.00 0.00 C ATOM 71 CG PHE A 5 -6.607 5.289 1.324 1.00 0.00 C ATOM 72 CD1 PHE A 5 -6.195 5.544 2.611 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.744 4.693 0.436 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.958 5.127 3.044 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.514 4.256 0.868 1.00 0.00 C ATOM 76 CZ PHE A 5 -4.132 4.454 2.174 1.00 0.00 C ATOM 0 H PHE A 5 -10.288 5.976 1.079 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.920 3.668 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.050 5.757 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.364 6.453 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.848 6.076 3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.031 4.568 -0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.639 5.326 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.847 3.757 0.181 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.179 4.079 2.518 1.00 0.00 H new ATOM 86 N GLU A 6 -8.951 4.089 3.653 1.00 0.00 N ATOM 87 CA GLU A 6 -8.626 3.409 4.870 1.00 0.00 C ATOM 88 C GLU A 6 -9.594 2.318 5.171 1.00 0.00 C ATOM 89 O GLU A 6 -9.188 1.246 5.616 1.00 0.00 O ATOM 90 CB GLU A 6 -8.459 4.321 6.098 1.00 0.00 C ATOM 91 CG GLU A 6 -7.087 4.995 6.153 1.00 0.00 C ATOM 92 CD GLU A 6 -6.483 5.100 7.546 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.043 5.786 8.445 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.397 4.498 7.757 1.00 0.00 O ATOM 0 H GLU A 6 -9.418 4.985 3.791 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.643 2.980 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.235 5.087 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.607 3.733 7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.399 4.440 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.173 5.997 5.733 1.00 0.00 H new ATOM 101 N GLU A 7 -10.894 2.527 4.898 1.00 0.00 N ATOM 102 CA GLU A 7 -11.924 1.542 5.014 1.00 0.00 C ATOM 103 C GLU A 7 -11.655 0.316 4.212 1.00 0.00 C ATOM 104 O GLU A 7 -11.699 -0.806 4.714 1.00 0.00 O ATOM 105 CB GLU A 7 -13.275 2.163 4.617 1.00 0.00 C ATOM 106 CG GLU A 7 -14.494 1.240 4.573 1.00 0.00 C ATOM 107 CD GLU A 7 -14.892 0.645 5.917 1.00 0.00 C ATOM 108 OE1 GLU A 7 -15.062 1.402 6.910 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.076 -0.599 5.996 1.00 0.00 O ATOM 0 H GLU A 7 -11.245 3.430 4.580 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.951 1.222 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.491 2.972 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.160 2.615 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.341 1.798 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.291 0.426 3.877 1.00 0.00 H new ATOM 116 N LYS A 8 -11.321 0.468 2.917 1.00 0.00 N ATOM 117 CA LYS A 8 -11.003 -0.640 2.071 1.00 0.00 C ATOM 118 C LYS A 8 -9.623 -1.166 2.274 1.00 0.00 C ATOM 119 O LYS A 8 -9.412 -2.372 2.160 1.00 0.00 O ATOM 120 CB LYS A 8 -11.257 -0.262 0.603 1.00 0.00 C ATOM 121 CG LYS A 8 -12.715 0.091 0.300 1.00 0.00 C ATOM 122 CD LYS A 8 -12.880 0.777 -1.058 1.00 0.00 C ATOM 123 CE LYS A 8 -13.119 -0.109 -2.283 1.00 0.00 C ATOM 124 NZ LYS A 8 -14.511 -0.611 -2.330 1.00 0.00 N ATOM 0 H LYS A 8 -11.271 1.374 2.451 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.664 -1.461 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.625 0.587 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.954 -1.093 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.317 -0.817 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.098 0.745 1.083 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.714 1.474 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.985 1.371 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.905 0.457 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.428 -0.952 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -14.676 -1.093 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.665 -1.280 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.171 0.187 -2.237 1.00 0.00 H new ATOM 138 N ALA A 9 -8.605 -0.356 2.615 1.00 0.00 N ATOM 139 CA ALA A 9 -7.261 -0.828 2.743 1.00 0.00 C ATOM 140 C ALA A 9 -7.044 -1.798 3.854 1.00 0.00 C ATOM 141 O ALA A 9 -6.430 -2.855 3.724 1.00 0.00 O ATOM 142 CB ALA A 9 -6.276 0.323 3.005 1.00 0.00 C ATOM 0 H ALA A 9 -8.716 0.640 2.805 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.084 -1.323 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.266 -0.076 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.313 1.030 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.549 0.833 3.929 1.00 0.00 H new ATOM 148 N LYS A 10 -7.604 -1.454 5.027 1.00 0.00 N ATOM 149 CA LYS A 10 -7.595 -2.289 6.188 1.00 0.00 C ATOM 150 C LYS A 10 -8.401 -3.533 6.038 1.00 0.00 C ATOM 151 O LYS A 10 -8.199 -4.503 6.767 1.00 0.00 O ATOM 152 CB LYS A 10 -8.112 -1.422 7.348 1.00 0.00 C ATOM 153 CG LYS A 10 -7.007 -0.672 8.095 1.00 0.00 C ATOM 154 CD LYS A 10 -7.521 0.155 9.274 1.00 0.00 C ATOM 155 CE LYS A 10 -8.257 1.429 8.856 1.00 0.00 C ATOM 156 NZ LYS A 10 -8.665 2.219 10.039 1.00 0.00 N ATOM 0 H LYS A 10 -8.080 -0.564 5.173 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.582 -2.648 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.830 -0.700 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.649 -2.057 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.273 -1.391 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.490 -0.013 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.191 -0.461 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.679 0.425 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.613 2.032 8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.137 1.168 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.162 3.078 9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.298 1.649 10.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.822 2.486 10.586 1.00 0.00 H new ATOM 170 N ALA A 11 -9.302 -3.601 5.041 1.00 0.00 N ATOM 171 CA ALA A 11 -9.879 -4.836 4.609 1.00 0.00 C ATOM 172 C ALA A 11 -8.860 -5.651 3.888 1.00 0.00 C ATOM 173 O ALA A 11 -8.537 -6.760 4.313 1.00 0.00 O ATOM 174 CB ALA A 11 -11.103 -4.647 3.697 1.00 0.00 C ATOM 0 H ALA A 11 -9.635 -2.785 4.527 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.218 -5.348 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.493 -5.622 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.874 -4.094 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.811 -4.091 2.806 1.00 0.00 H new ATOM 180 N VAL A 12 -8.278 -5.145 2.786 1.00 0.00 N ATOM 181 CA VAL A 12 -7.485 -5.915 1.880 1.00 0.00 C ATOM 182 C VAL A 12 -6.234 -6.450 2.486 1.00 0.00 C ATOM 183 O VAL A 12 -5.835 -7.573 2.182 1.00 0.00 O ATOM 184 CB VAL A 12 -7.234 -5.229 0.570 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.610 -4.793 0.042 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.249 -4.049 0.639 1.00 0.00 C ATOM 0 H VAL A 12 -8.363 -4.165 2.517 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.102 -6.784 1.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.738 -5.926 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.488 -4.285 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.243 -5.670 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.075 -4.114 0.756 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.130 -3.616 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.636 -3.292 1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.283 -4.402 0.999 1.00 0.00 H new ATOM 196 N ASN A 13 -5.632 -5.716 3.439 1.00 0.00 N ATOM 197 CA ASN A 13 -4.429 -6.140 4.088 1.00 0.00 C ATOM 198 C ASN A 13 -4.619 -7.263 5.047 1.00 0.00 C ATOM 199 O ASN A 13 -3.645 -7.858 5.507 1.00 0.00 O ATOM 200 CB ASN A 13 -3.764 -4.958 4.814 1.00 0.00 C ATOM 201 CG ASN A 13 -3.303 -3.894 3.827 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.811 -4.165 2.734 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.398 -2.605 4.250 1.00 0.00 N ATOM 0 H ASN A 13 -5.985 -4.816 3.764 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.785 -6.513 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.468 -4.520 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.912 -5.316 5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.058 -1.847 3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.809 -2.396 5.160 1.00 0.00 H new ATOM 210 N GLU A 14 -5.875 -7.610 5.379 1.00 0.00 N ATOM 211 CA GLU A 14 -6.212 -8.625 6.329 1.00 0.00 C ATOM 212 C GLU A 14 -7.384 -9.439 5.902 1.00 0.00 C ATOM 213 O GLU A 14 -8.046 -10.108 6.696 1.00 0.00 O ATOM 214 CB GLU A 14 -6.443 -7.967 7.699 1.00 0.00 C ATOM 215 CG GLU A 14 -6.325 -8.908 8.899 1.00 0.00 C ATOM 216 CD GLU A 14 -6.345 -8.142 10.214 1.00 0.00 C ATOM 217 OE1 GLU A 14 -7.351 -7.438 10.497 1.00 0.00 O ATOM 218 OE2 GLU A 14 -5.331 -8.212 10.959 1.00 0.00 O ATOM 0 H GLU A 14 -6.693 -7.163 4.966 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.380 -9.326 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.725 -7.156 7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.436 -7.517 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.146 -9.625 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.400 -9.480 8.824 1.00 0.00 H new ATOM 225 N LEU A 15 -7.708 -9.471 4.597 1.00 0.00 N ATOM 226 CA LEU A 15 -8.798 -10.214 4.047 1.00 0.00 C ATOM 227 C LEU A 15 -8.465 -11.666 4.030 1.00 0.00 C ATOM 228 O LEU A 15 -7.281 -11.983 4.141 1.00 0.00 O ATOM 229 CB LEU A 15 -9.098 -9.653 2.646 1.00 0.00 C ATOM 230 CG LEU A 15 -10.555 -9.326 2.277 1.00 0.00 C ATOM 231 CD1 LEU A 15 -11.314 -8.505 3.333 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.581 -8.594 0.924 1.00 0.00 C ATOM 0 H LEU A 15 -7.184 -8.953 3.892 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.696 -10.112 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.513 -8.741 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.725 -10.371 1.916 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.078 -10.281 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.332 -8.322 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.343 -9.058 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.806 -7.553 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.611 -8.359 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.006 -7.671 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.144 -9.232 0.156 1.00 0.00 H new ATOM 244 N PRO A 16 -9.334 -12.628 3.945 1.00 0.00 N ATOM 245 CA PRO A 16 -8.946 -14.007 4.025 1.00 0.00 C ATOM 246 C PRO A 16 -8.286 -14.482 2.777 1.00 0.00 C ATOM 247 O PRO A 16 -7.563 -15.476 2.813 1.00 0.00 O ATOM 248 CB PRO A 16 -10.272 -14.733 4.239 1.00 0.00 C ATOM 249 CG PRO A 16 -11.325 -13.879 3.514 1.00 0.00 C ATOM 250 CD PRO A 16 -10.715 -12.468 3.517 1.00 0.00 C ATOM 0 HA PRO A 16 -8.216 -14.182 4.815 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.237 -15.743 3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.503 -14.825 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.501 -14.237 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.284 -13.902 4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.766 -12.019 2.525 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.259 -11.809 4.194 1.00 0.00 H new ATOM 258 N THR A 17 -8.518 -13.798 1.641 1.00 0.00 N ATOM 259 CA THR A 17 -7.873 -14.036 0.388 1.00 0.00 C ATOM 260 C THR A 17 -6.974 -12.853 0.271 1.00 0.00 C ATOM 261 O THR A 17 -7.300 -11.804 -0.282 1.00 0.00 O ATOM 262 CB THR A 17 -8.879 -14.127 -0.722 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.735 -15.240 -0.513 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.237 -14.350 -2.102 1.00 0.00 C ATOM 0 H THR A 17 -9.195 -13.036 1.596 1.00 0.00 H new ATOM 0 HA THR A 17 -7.330 -14.979 0.327 1.00 0.00 H new ATOM 0 HB THR A 17 -9.410 -13.175 -0.711 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.389 -15.291 -1.241 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.017 -14.407 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.568 -13.520 -2.330 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.670 -15.281 -2.093 1.00 0.00 H new ATOM 272 N LYS A 18 -5.809 -12.959 0.936 1.00 0.00 N ATOM 273 CA LYS A 18 -4.847 -11.907 1.047 1.00 0.00 C ATOM 274 C LYS A 18 -4.254 -11.494 -0.256 1.00 0.00 C ATOM 275 O LYS A 18 -4.269 -12.306 -1.180 1.00 0.00 O ATOM 276 CB LYS A 18 -3.760 -12.287 2.067 1.00 0.00 C ATOM 277 CG LYS A 18 -4.355 -12.482 3.463 1.00 0.00 C ATOM 278 CD LYS A 18 -3.320 -12.700 4.569 1.00 0.00 C ATOM 279 CE LYS A 18 -3.965 -12.890 5.943 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.924 -12.920 6.995 1.00 0.00 N ATOM 0 H LYS A 18 -5.526 -13.813 1.416 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.384 -11.029 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.264 -13.204 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.999 -11.507 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.957 -11.608 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.030 -13.338 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.716 -13.575 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.644 -11.846 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.667 -12.080 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.536 -13.818 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.373 -13.049 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.270 -13.708 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.397 -12.024 6.987 1.00 0.00 H new ATOM 294 N PRO A 19 -3.749 -10.313 -0.460 1.00 0.00 N ATOM 295 CA PRO A 19 -3.454 -9.818 -1.773 1.00 0.00 C ATOM 296 C PRO A 19 -2.345 -10.551 -2.445 1.00 0.00 C ATOM 297 O PRO A 19 -1.459 -11.065 -1.763 1.00 0.00 O ATOM 298 CB PRO A 19 -3.071 -8.355 -1.566 1.00 0.00 C ATOM 299 CG PRO A 19 -3.811 -7.949 -0.281 1.00 0.00 C ATOM 300 CD PRO A 19 -3.703 -9.250 0.532 1.00 0.00 C ATOM 0 HA PRO A 19 -4.315 -9.950 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.993 -8.237 -1.459 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.376 -7.740 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.336 -7.106 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.846 -7.665 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.776 -9.283 1.104 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.522 -9.339 1.246 1.00 0.00 H new ATOM 308 N SER A 20 -2.344 -10.648 -3.787 1.00 0.00 N ATOM 309 CA SER A 20 -1.334 -11.338 -4.528 1.00 0.00 C ATOM 310 C SER A 20 -0.103 -10.518 -4.715 1.00 0.00 C ATOM 311 O SER A 20 -0.122 -9.290 -4.646 1.00 0.00 O ATOM 312 CB SER A 20 -1.861 -11.928 -5.846 1.00 0.00 C ATOM 313 OG SER A 20 -2.643 -11.005 -6.590 1.00 0.00 O ATOM 0 H SER A 20 -3.068 -10.234 -4.374 1.00 0.00 H new ATOM 0 HA SER A 20 -1.040 -12.191 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.018 -12.256 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.460 -12.812 -5.629 1.00 0.00 H new ATOM 0 HG SER A 20 -3.576 -11.053 -6.293 1.00 0.00 H new ATOM 319 N THR A 21 1.065 -11.160 -4.893 1.00 0.00 N ATOM 320 CA THR A 21 2.353 -10.606 -4.611 1.00 0.00 C ATOM 321 C THR A 21 2.883 -9.611 -5.586 1.00 0.00 C ATOM 322 O THR A 21 3.589 -8.676 -5.209 1.00 0.00 O ATOM 323 CB THR A 21 3.403 -11.648 -4.369 1.00 0.00 C ATOM 324 OG1 THR A 21 3.521 -12.560 -5.451 1.00 0.00 O ATOM 325 CG2 THR A 21 3.012 -12.473 -3.131 1.00 0.00 C ATOM 0 H THR A 21 1.113 -12.114 -5.252 1.00 0.00 H new ATOM 0 HA THR A 21 2.146 -10.054 -3.694 1.00 0.00 H new ATOM 0 HB THR A 21 4.350 -11.123 -4.240 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.218 -13.219 -5.249 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.770 -13.234 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.939 -11.816 -2.264 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.049 -12.954 -3.304 1.00 0.00 H new ATOM 333 N ASP A 22 2.569 -9.743 -6.887 1.00 0.00 N ATOM 334 CA ASP A 22 2.949 -8.814 -7.906 1.00 0.00 C ATOM 335 C ASP A 22 2.003 -7.664 -7.919 1.00 0.00 C ATOM 336 O ASP A 22 2.381 -6.519 -8.166 1.00 0.00 O ATOM 337 CB ASP A 22 2.981 -9.478 -9.293 1.00 0.00 C ATOM 338 CG ASP A 22 3.992 -10.615 -9.344 1.00 0.00 C ATOM 339 OD1 ASP A 22 3.756 -11.684 -8.724 1.00 0.00 O ATOM 340 OD2 ASP A 22 5.046 -10.456 -10.018 1.00 0.00 O ATOM 0 H ASP A 22 2.028 -10.530 -7.244 1.00 0.00 H new ATOM 0 HA ASP A 22 3.955 -8.461 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.990 -9.860 -9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.231 -8.733 -10.048 1.00 0.00 H new ATOM 345 N GLU A 23 0.727 -7.909 -7.566 1.00 0.00 N ATOM 346 CA GLU A 23 -0.282 -6.912 -7.384 1.00 0.00 C ATOM 347 C GLU A 23 0.031 -6.068 -6.197 1.00 0.00 C ATOM 348 O GLU A 23 -0.116 -4.846 -6.232 1.00 0.00 O ATOM 349 CB GLU A 23 -1.674 -7.556 -7.272 1.00 0.00 C ATOM 350 CG GLU A 23 -2.033 -8.439 -8.470 1.00 0.00 C ATOM 351 CD GLU A 23 -2.061 -7.661 -9.778 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.083 -6.972 -10.041 1.00 0.00 O ATOM 353 OE2 GLU A 23 -1.066 -7.712 -10.549 1.00 0.00 O ATOM 0 H GLU A 23 0.382 -8.854 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.294 -6.264 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.717 -8.155 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.423 -6.770 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.310 -9.251 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.008 -8.896 -8.302 1.00 0.00 H new ATOM 360 N LEU A 24 0.580 -6.651 -5.117 1.00 0.00 N ATOM 361 CA LEU A 24 1.145 -5.958 -4.000 1.00 0.00 C ATOM 362 C LEU A 24 2.203 -4.951 -4.294 1.00 0.00 C ATOM 363 O LEU A 24 2.451 -4.077 -3.465 1.00 0.00 O ATOM 364 CB LEU A 24 1.665 -6.929 -2.926 1.00 0.00 C ATOM 365 CG LEU A 24 0.600 -7.229 -1.856 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.870 -8.587 -1.185 1.00 0.00 C ATOM 367 CD2 LEU A 24 0.506 -6.106 -0.810 1.00 0.00 C ATOM 0 H LEU A 24 0.633 -7.665 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 24 0.293 -5.385 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.976 -7.860 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.548 -6.503 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.365 -7.280 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.106 -8.779 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.845 -9.376 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.851 -8.569 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.257 -6.358 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.468 -5.992 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.240 -5.171 -1.303 1.00 0.00 H new ATOM 379 N LEU A 25 2.861 -4.944 -5.468 1.00 0.00 N ATOM 380 CA LEU A 25 3.722 -3.869 -5.852 1.00 0.00 C ATOM 381 C LEU A 25 2.978 -2.624 -6.197 1.00 0.00 C ATOM 382 O LEU A 25 3.359 -1.510 -5.843 1.00 0.00 O ATOM 383 CB LEU A 25 4.503 -4.301 -7.105 1.00 0.00 C ATOM 384 CG LEU A 25 5.513 -5.425 -6.819 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.953 -6.041 -8.157 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.700 -4.882 -6.005 1.00 0.00 C ATOM 0 H LEU A 25 2.795 -5.692 -6.158 1.00 0.00 H new ATOM 0 HA LEU A 25 4.370 -3.653 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.800 -4.636 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.031 -3.439 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 25 5.054 -6.208 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.670 -6.841 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.083 -6.446 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.418 -5.273 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.407 -5.689 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.197 -4.092 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.339 -4.480 -5.059 1.00 0.00 H new ATOM 398 N GLU A 26 1.843 -2.797 -6.897 1.00 0.00 N ATOM 399 CA GLU A 26 0.882 -1.763 -7.128 1.00 0.00 C ATOM 400 C GLU A 26 0.218 -1.350 -5.860 1.00 0.00 C ATOM 401 O GLU A 26 0.245 -0.185 -5.465 1.00 0.00 O ATOM 402 CB GLU A 26 -0.091 -2.181 -8.243 1.00 0.00 C ATOM 403 CG GLU A 26 -1.006 -1.078 -8.778 1.00 0.00 C ATOM 404 CD GLU A 26 -1.226 -1.169 -10.281 1.00 0.00 C ATOM 405 OE1 GLU A 26 -0.232 -0.950 -11.022 1.00 0.00 O ATOM 406 OE2 GLU A 26 -2.361 -1.437 -10.758 1.00 0.00 O ATOM 0 H GLU A 26 1.585 -3.690 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 26 1.389 -0.868 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.490 -2.580 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.714 -2.994 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.969 -1.134 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.575 -0.106 -8.537 1.00 0.00 H new ATOM 413 N LEU A 27 -0.350 -2.302 -5.099 1.00 0.00 N ATOM 414 CA LEU A 27 -1.093 -2.038 -3.905 1.00 0.00 C ATOM 415 C LEU A 27 -0.306 -1.502 -2.759 1.00 0.00 C ATOM 416 O LEU A 27 -0.812 -0.642 -2.041 1.00 0.00 O ATOM 417 CB LEU A 27 -1.917 -3.253 -3.444 1.00 0.00 C ATOM 418 CG LEU A 27 -3.226 -3.519 -4.207 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.219 -2.350 -4.095 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.058 -3.923 -5.681 1.00 0.00 C ATOM 0 H LEU A 27 -0.290 -3.295 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.763 -1.234 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.290 -4.141 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.157 -3.123 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.636 -4.392 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.126 -2.588 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.469 -2.184 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.767 -1.448 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.039 -4.087 -6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.543 -3.128 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.473 -4.841 -5.742 1.00 0.00 H new ATOM 432 N TYR A 28 0.949 -1.927 -2.525 1.00 0.00 N ATOM 433 CA TYR A 28 1.817 -1.367 -1.537 1.00 0.00 C ATOM 434 C TYR A 28 2.112 0.065 -1.826 1.00 0.00 C ATOM 435 O TYR A 28 1.892 0.906 -0.955 1.00 0.00 O ATOM 436 CB TYR A 28 3.107 -2.186 -1.365 1.00 0.00 C ATOM 437 CG TYR A 28 4.177 -1.610 -0.503 1.00 0.00 C ATOM 438 CD1 TYR A 28 5.013 -0.649 -1.022 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.394 -2.049 0.782 1.00 0.00 C ATOM 440 CE1 TYR A 28 6.014 -0.090 -0.262 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.419 -1.530 1.537 1.00 0.00 C ATOM 442 CZ TYR A 28 6.224 -0.544 1.020 1.00 0.00 C ATOM 443 OH TYR A 28 7.247 0.037 1.799 1.00 0.00 O ATOM 0 H TYR A 28 1.376 -2.693 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 28 1.288 -1.412 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.835 -3.160 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.529 -2.360 -2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.881 -0.328 -2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.753 -2.809 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.630 0.699 -0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.592 -1.898 2.538 1.00 0.00 H new ATOM 0 HH TYR A 28 7.172 1.013 1.762 1.00 0.00 H new ATOM 453 N ALA A 29 2.589 0.414 -3.034 1.00 0.00 N ATOM 454 CA ALA A 29 2.928 1.753 -3.403 1.00 0.00 C ATOM 455 C ALA A 29 1.825 2.728 -3.167 1.00 0.00 C ATOM 456 O ALA A 29 2.023 3.809 -2.615 1.00 0.00 O ATOM 457 CB ALA A 29 3.365 1.786 -4.877 1.00 0.00 C ATOM 0 H ALA A 29 2.744 -0.262 -3.782 1.00 0.00 H new ATOM 0 HA ALA A 29 3.751 2.063 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.623 2.807 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.234 1.142 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.548 1.432 -5.507 1.00 0.00 H new ATOM 463 N LEU A 30 0.593 2.318 -3.516 1.00 0.00 N ATOM 464 CA LEU A 30 -0.599 3.071 -3.281 1.00 0.00 C ATOM 465 C LEU A 30 -1.043 3.144 -1.860 1.00 0.00 C ATOM 466 O LEU A 30 -1.301 4.234 -1.351 1.00 0.00 O ATOM 467 CB LEU A 30 -1.711 2.511 -4.185 1.00 0.00 C ATOM 468 CG LEU A 30 -1.706 3.101 -5.605 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.914 4.624 -5.554 1.00 0.00 C ATOM 470 CD2 LEU A 30 -0.546 2.731 -6.545 1.00 0.00 C ATOM 0 H LEU A 30 0.421 1.426 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.369 4.107 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.604 1.428 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.678 2.708 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.550 2.599 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.908 5.026 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.871 4.845 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.111 5.082 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.685 3.225 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.397 3.055 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.526 1.651 -6.691 1.00 0.00 H new ATOM 482 N TYR A 31 -1.167 2.017 -1.137 1.00 0.00 N ATOM 483 CA TYR A 31 -1.517 1.989 0.249 1.00 0.00 C ATOM 484 C TYR A 31 -0.587 2.795 1.089 1.00 0.00 C ATOM 485 O TYR A 31 -0.982 3.652 1.879 1.00 0.00 O ATOM 486 CB TYR A 31 -1.628 0.551 0.784 1.00 0.00 C ATOM 487 CG TYR A 31 -1.905 0.503 2.247 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.988 1.119 2.828 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.961 -0.088 3.053 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.195 1.041 4.185 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.129 -0.118 4.417 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.266 0.413 4.980 1.00 0.00 C ATOM 493 OH TYR A 31 -2.477 0.327 6.373 1.00 0.00 O ATOM 0 H TYR A 31 -1.018 1.089 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.501 2.451 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.422 0.029 0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.701 0.017 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.683 1.670 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.081 -0.532 2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.083 1.471 4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.369 -0.558 5.046 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.727 -0.148 6.789 1.00 0.00 H new ATOM 503 N LYS A 32 0.731 2.572 0.943 1.00 0.00 N ATOM 504 CA LYS A 32 1.756 3.334 1.587 1.00 0.00 C ATOM 505 C LYS A 32 1.771 4.767 1.181 1.00 0.00 C ATOM 506 O LYS A 32 2.024 5.639 2.011 1.00 0.00 O ATOM 507 CB LYS A 32 3.109 2.619 1.438 1.00 0.00 C ATOM 508 CG LYS A 32 3.127 1.201 2.014 1.00 0.00 C ATOM 509 CD LYS A 32 2.776 1.069 3.498 1.00 0.00 C ATOM 510 CE LYS A 32 3.608 1.984 4.398 1.00 0.00 C ATOM 511 NZ LYS A 32 3.381 1.694 5.830 1.00 0.00 N ATOM 0 H LYS A 32 1.099 1.828 0.350 1.00 0.00 H new ATOM 0 HA LYS A 32 1.531 3.380 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.371 2.575 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.879 3.212 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.429 0.590 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.121 0.781 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.719 1.297 3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.922 0.034 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.666 1.861 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.356 3.024 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.961 2.333 6.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.376 1.836 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.646 0.708 6.031 1.00 0.00 H new ATOM 525 N GLN A 33 1.420 5.107 -0.072 1.00 0.00 N ATOM 526 CA GLN A 33 1.199 6.465 -0.466 1.00 0.00 C ATOM 527 C GLN A 33 0.166 7.198 0.318 1.00 0.00 C ATOM 528 O GLN A 33 0.468 8.191 0.975 1.00 0.00 O ATOM 529 CB GLN A 33 0.884 6.675 -1.956 1.00 0.00 C ATOM 530 CG GLN A 33 2.137 7.112 -2.717 1.00 0.00 C ATOM 531 CD GLN A 33 2.729 8.425 -2.222 1.00 0.00 C ATOM 532 OE1 GLN A 33 2.100 9.481 -2.256 1.00 0.00 O ATOM 533 NE2 GLN A 33 3.991 8.387 -1.718 1.00 0.00 N ATOM 0 H GLN A 33 1.287 4.430 -0.823 1.00 0.00 H new ATOM 0 HA GLN A 33 2.179 6.887 -0.245 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.496 5.751 -2.385 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.105 7.429 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.892 6.330 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.893 7.210 -3.775 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.504 7.506 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.424 9.240 -1.364 1.00 0.00 H new ATOM 542 N ALA A 34 -1.104 6.752 0.311 1.00 0.00 N ATOM 543 CA ALA A 34 -2.122 7.429 1.051 1.00 0.00 C ATOM 544 C ALA A 34 -2.182 7.152 2.513 1.00 0.00 C ATOM 545 O ALA A 34 -2.827 7.914 3.231 1.00 0.00 O ATOM 546 CB ALA A 34 -3.484 7.361 0.338 1.00 0.00 C ATOM 0 H ALA A 34 -1.423 5.930 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.806 8.472 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.232 7.887 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.405 7.829 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.781 6.319 0.220 1.00 0.00 H new ATOM 552 N THR A 35 -1.487 6.142 3.068 1.00 0.00 N ATOM 553 CA THR A 35 -1.306 6.097 4.485 1.00 0.00 C ATOM 554 C THR A 35 -0.344 7.135 4.948 1.00 0.00 C ATOM 555 O THR A 35 -0.628 7.875 5.889 1.00 0.00 O ATOM 556 CB THR A 35 -0.914 4.809 5.148 1.00 0.00 C ATOM 557 OG1 THR A 35 0.016 4.040 4.399 1.00 0.00 O ATOM 558 CG2 THR A 35 -2.151 3.931 5.398 1.00 0.00 C ATOM 0 H THR A 35 -1.060 5.374 2.550 1.00 0.00 H new ATOM 0 HA THR A 35 -2.335 6.268 4.800 1.00 0.00 H new ATOM 0 HB THR A 35 -0.438 5.104 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.379 3.799 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.846 3.002 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.850 4.462 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.635 3.706 4.448 1.00 0.00 H new ATOM 566 N VAL A 36 0.850 7.236 4.338 1.00 0.00 N ATOM 567 CA VAL A 36 1.871 8.126 4.799 1.00 0.00 C ATOM 568 C VAL A 36 1.713 9.486 4.210 1.00 0.00 C ATOM 569 O VAL A 36 1.472 10.470 4.907 1.00 0.00 O ATOM 570 CB VAL A 36 3.243 7.605 4.491 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.300 8.480 5.187 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.390 6.136 4.924 1.00 0.00 C ATOM 0 H VAL A 36 1.111 6.694 3.515 1.00 0.00 H new ATOM 0 HA VAL A 36 1.759 8.193 5.881 1.00 0.00 H new ATOM 0 HB VAL A 36 3.395 7.649 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.295 8.098 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.215 9.506 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.139 8.457 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.395 5.786 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.220 6.054 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.659 5.525 4.394 1.00 0.00 H new ATOM 582 N GLY A 37 1.877 9.569 2.878 1.00 0.00 N ATOM 583 CA GLY A 37 1.892 10.742 2.059 1.00 0.00 C ATOM 584 C GLY A 37 3.256 11.112 1.589 1.00 0.00 C ATOM 585 O GLY A 37 3.429 11.929 0.686 1.00 0.00 O ATOM 0 H GLY A 37 2.013 8.726 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.248 10.582 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.470 11.575 2.621 1.00 0.00 H new ATOM 589 N ASP A 38 4.289 10.493 2.190 1.00 0.00 N ATOM 590 CA ASP A 38 5.659 10.552 1.785 1.00 0.00 C ATOM 591 C ASP A 38 6.120 9.145 1.620 1.00 0.00 C ATOM 592 O ASP A 38 5.606 8.239 2.274 1.00 0.00 O ATOM 593 CB ASP A 38 6.512 11.216 2.879 1.00 0.00 C ATOM 594 CG ASP A 38 6.379 12.732 2.846 1.00 0.00 C ATOM 595 OD1 ASP A 38 6.896 13.341 1.871 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.819 13.352 3.790 1.00 0.00 O ATOM 0 H ASP A 38 4.156 9.911 3.017 1.00 0.00 H new ATOM 0 HA ASP A 38 5.757 11.129 0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.206 10.844 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.558 10.938 2.745 1.00 0.00 H new ATOM 601 N ASN A 39 7.130 8.859 0.779 1.00 0.00 N ATOM 602 CA ASN A 39 7.906 7.663 0.893 1.00 0.00 C ATOM 603 C ASN A 39 8.667 7.557 2.169 1.00 0.00 C ATOM 604 O ASN A 39 9.713 8.172 2.371 1.00 0.00 O ATOM 605 CB ASN A 39 8.791 7.420 -0.341 1.00 0.00 C ATOM 606 CG ASN A 39 9.746 8.561 -0.663 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.591 9.714 -0.266 1.00 0.00 O ATOM 608 ND2 ASN A 39 10.791 8.248 -1.474 1.00 0.00 N ATOM 0 H ASN A 39 7.412 9.466 0.009 1.00 0.00 H new ATOM 0 HA ASN A 39 7.179 6.852 0.927 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.371 6.510 -0.184 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.149 7.244 -1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.452 8.972 -1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.914 7.289 -1.800 1.00 0.00 H new ATOM 615 N ASP A 40 8.142 6.769 3.125 1.00 0.00 N ATOM 616 CA ASP A 40 8.492 6.791 4.510 1.00 0.00 C ATOM 617 C ASP A 40 9.791 6.141 4.848 1.00 0.00 C ATOM 618 O ASP A 40 10.772 6.802 5.182 1.00 0.00 O ATOM 619 CB ASP A 40 7.316 6.141 5.257 1.00 0.00 C ATOM 620 CG ASP A 40 7.306 6.343 6.765 1.00 0.00 C ATOM 621 OD1 ASP A 40 7.642 7.453 7.259 1.00 0.00 O ATOM 622 OD2 ASP A 40 6.971 5.355 7.473 1.00 0.00 O ATOM 0 H ASP A 40 7.427 6.072 2.915 1.00 0.00 H new ATOM 0 HA ASP A 40 8.656 7.825 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.386 6.536 4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.325 5.071 5.051 1.00 0.00 H new ATOM 627 N LYS A 41 9.842 4.797 4.817 1.00 0.00 N ATOM 628 CA LYS A 41 10.950 4.009 5.259 1.00 0.00 C ATOM 629 C LYS A 41 12.033 3.871 4.245 1.00 0.00 C ATOM 630 O LYS A 41 12.176 2.837 3.594 1.00 0.00 O ATOM 631 CB LYS A 41 10.451 2.600 5.619 1.00 0.00 C ATOM 632 CG LYS A 41 9.521 2.513 6.830 1.00 0.00 C ATOM 633 CD LYS A 41 10.228 2.859 8.143 1.00 0.00 C ATOM 634 CE LYS A 41 10.008 4.291 8.634 1.00 0.00 C ATOM 635 NZ LYS A 41 8.674 4.414 9.263 1.00 0.00 N ATOM 0 H LYS A 41 9.070 4.231 4.465 1.00 0.00 H new ATOM 0 HA LYS A 41 11.374 4.529 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.931 2.187 4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.317 1.964 5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.679 3.190 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.112 1.505 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.887 2.169 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.298 2.694 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.783 4.561 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.090 4.987 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.106 5.110 8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.195 3.491 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.783 4.727 10.249 1.00 0.00 H new ATOM 649 N GLU A 42 12.897 4.897 4.151 1.00 0.00 N ATOM 650 CA GLU A 42 13.938 5.074 3.187 1.00 0.00 C ATOM 651 C GLU A 42 15.150 4.245 3.442 1.00 0.00 C ATOM 652 O GLU A 42 16.297 4.665 3.297 1.00 0.00 O ATOM 653 CB GLU A 42 14.234 6.582 3.148 1.00 0.00 C ATOM 654 CG GLU A 42 15.044 7.113 1.964 1.00 0.00 C ATOM 655 CD GLU A 42 15.090 8.634 1.978 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.472 9.209 3.033 1.00 0.00 O ATOM 657 OE2 GLU A 42 14.780 9.273 0.937 1.00 0.00 O ATOM 0 H GLU A 42 12.862 5.673 4.812 1.00 0.00 H new ATOM 0 HA GLU A 42 13.608 4.716 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.282 7.112 3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.765 6.844 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.058 6.714 2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.601 6.767 1.030 1.00 0.00 H new ATOM 664 N LYS A 43 14.937 2.965 3.797 1.00 0.00 N ATOM 665 CA LYS A 43 15.956 1.968 3.915 1.00 0.00 C ATOM 666 C LYS A 43 15.330 0.618 3.845 1.00 0.00 C ATOM 667 O LYS A 43 15.088 0.008 4.885 1.00 0.00 O ATOM 668 CB LYS A 43 16.808 2.136 5.184 1.00 0.00 C ATOM 669 CG LYS A 43 18.092 1.304 5.179 1.00 0.00 C ATOM 670 CD LYS A 43 19.190 1.826 6.108 1.00 0.00 C ATOM 671 CE LYS A 43 19.109 1.333 7.554 1.00 0.00 C ATOM 672 NZ LYS A 43 20.130 2.016 8.379 1.00 0.00 N ATOM 0 H LYS A 43 14.006 2.608 4.013 1.00 0.00 H new ATOM 0 HA LYS A 43 16.649 2.088 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.068 3.188 5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 43 16.210 1.859 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 43 17.848 0.281 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 43 18.482 1.267 4.162 1.00 0.00 H new ATOM 0 HD2 LYS A 43 20.158 1.539 5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.154 2.915 6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.115 1.526 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 43 19.263 0.255 7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.068 1.676 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 21.077 1.811 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.964 3.042 8.358 1.00 0.00 H new ATOM 878 N TRP A 55 9.499 -0.669 -2.190 1.00 0.00 N ATOM 879 CA TRP A 55 9.921 0.661 -1.881 1.00 0.00 C ATOM 880 C TRP A 55 10.317 1.440 -3.089 1.00 0.00 C ATOM 881 O TRP A 55 10.126 2.652 -3.155 1.00 0.00 O ATOM 882 CB TRP A 55 11.024 0.631 -0.808 1.00 0.00 C ATOM 883 CG TRP A 55 10.972 1.850 0.081 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.191 2.059 1.181 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.607 3.109 -0.209 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.171 3.392 1.496 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.085 4.040 0.699 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.528 3.473 -1.153 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.513 5.338 0.674 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.950 4.781 -1.160 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.452 5.697 -0.264 1.00 0.00 C ATOM 0 HA TRP A 55 9.064 1.195 -1.470 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.916 -0.267 -0.200 1.00 0.00 H new ATOM 0 HB3 TRP A 55 12.000 0.574 -1.291 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.666 1.287 1.723 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.579 3.829 2.202 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.910 2.758 -1.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.123 6.063 1.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.687 5.095 -1.884 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.805 6.717 -0.297 1.00 0.00 H new ATOM 902 N GLU A 56 10.809 0.774 -4.148 1.00 0.00 N ATOM 903 CA GLU A 56 11.137 1.377 -5.403 1.00 0.00 C ATOM 904 C GLU A 56 9.923 1.834 -6.135 1.00 0.00 C ATOM 905 O GLU A 56 9.884 2.921 -6.708 1.00 0.00 O ATOM 906 CB GLU A 56 11.921 0.378 -6.270 1.00 0.00 C ATOM 907 CG GLU A 56 12.268 0.878 -7.674 1.00 0.00 C ATOM 908 CD GLU A 56 13.208 -0.087 -8.381 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.336 -0.312 -7.868 1.00 0.00 O ATOM 910 OE2 GLU A 56 12.834 -0.626 -9.457 1.00 0.00 O ATOM 0 H GLU A 56 10.986 -0.230 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 56 11.751 2.254 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.845 0.118 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.338 -0.538 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.355 0.995 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.733 1.862 -7.609 1.00 0.00 H new ATOM 917 N ALA A 57 8.845 1.030 -6.084 1.00 0.00 N ATOM 918 CA ALA A 57 7.558 1.348 -6.620 1.00 0.00 C ATOM 919 C ALA A 57 6.936 2.512 -5.929 1.00 0.00 C ATOM 920 O ALA A 57 6.299 3.367 -6.543 1.00 0.00 O ATOM 921 CB ALA A 57 6.655 0.108 -6.510 1.00 0.00 C ATOM 0 H ALA A 57 8.874 0.110 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 57 7.678 1.632 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.670 0.338 -6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.096 -0.715 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.558 -0.180 -5.463 1.00 0.00 H new ATOM 927 N TRP A 58 7.160 2.613 -4.608 1.00 0.00 N ATOM 928 CA TRP A 58 6.710 3.685 -3.776 1.00 0.00 C ATOM 929 C TRP A 58 7.453 4.960 -3.993 1.00 0.00 C ATOM 930 O TRP A 58 6.861 6.038 -4.031 1.00 0.00 O ATOM 931 CB TRP A 58 6.788 3.249 -2.303 1.00 0.00 C ATOM 932 CG TRP A 58 6.056 4.134 -1.322 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.033 5.016 -1.521 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.260 4.065 0.102 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.646 5.573 -0.331 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.390 5.001 0.674 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.061 3.261 0.865 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.336 5.139 2.034 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.932 3.351 2.231 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.072 4.263 2.796 1.00 0.00 C ATOM 0 H TRP A 58 7.685 1.907 -4.091 1.00 0.00 H new ATOM 0 HA TRP A 58 5.677 3.898 -4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.390 2.238 -2.220 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.837 3.203 -2.011 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.592 5.242 -2.480 1.00 0.00 H new ATOM 0 HE1 TRP A 58 3.929 6.289 -0.211 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.768 2.581 0.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.735 5.910 2.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.512 2.699 2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.972 4.292 3.871 1.00 0.00 H new ATOM 951 N GLU A 59 8.782 4.896 -4.187 1.00 0.00 N ATOM 952 CA GLU A 59 9.660 5.986 -4.482 1.00 0.00 C ATOM 953 C GLU A 59 9.371 6.670 -5.773 1.00 0.00 C ATOM 954 O GLU A 59 9.678 7.849 -5.945 1.00 0.00 O ATOM 955 CB GLU A 59 11.123 5.514 -4.438 1.00 0.00 C ATOM 956 CG GLU A 59 12.194 6.605 -4.491 1.00 0.00 C ATOM 957 CD GLU A 59 12.921 6.737 -5.823 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.601 5.760 -6.236 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.868 7.826 -6.454 1.00 0.00 O ATOM 0 H GLU A 59 9.282 4.009 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 59 9.484 6.733 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.268 4.938 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.287 4.834 -5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.728 7.561 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.930 6.407 -3.712 1.00 0.00 H new ATOM 966 N ASN A 60 8.686 6.018 -6.729 1.00 0.00 N ATOM 967 CA ASN A 60 8.132 6.685 -7.865 1.00 0.00 C ATOM 968 C ASN A 60 7.064 7.661 -7.503 1.00 0.00 C ATOM 969 O ASN A 60 6.951 8.737 -8.088 1.00 0.00 O ATOM 970 CB ASN A 60 7.530 5.686 -8.867 1.00 0.00 C ATOM 971 CG ASN A 60 8.630 5.080 -9.727 1.00 0.00 C ATOM 972 OD1 ASN A 60 9.052 5.705 -10.699 1.00 0.00 O ATOM 973 ND2 ASN A 60 9.110 3.854 -9.388 1.00 0.00 N ATOM 0 H ASN A 60 8.514 5.013 -6.713 1.00 0.00 H new ATOM 0 HA ASN A 60 8.968 7.222 -8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.000 4.898 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.799 6.189 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.845 3.422 -9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.735 3.366 -8.574 1.00 0.00 H new ATOM 980 N LEU A 61 6.228 7.339 -6.500 1.00 0.00 N ATOM 981 CA LEU A 61 5.106 8.146 -6.134 1.00 0.00 C ATOM 982 C LEU A 61 5.400 9.111 -5.038 1.00 0.00 C ATOM 983 O LEU A 61 4.495 9.823 -4.605 1.00 0.00 O ATOM 984 CB LEU A 61 3.933 7.255 -5.691 1.00 0.00 C ATOM 985 CG LEU A 61 3.594 6.110 -6.662 1.00 0.00 C ATOM 986 CD1 LEU A 61 2.369 5.385 -6.083 1.00 0.00 C ATOM 987 CD2 LEU A 61 3.314 6.557 -8.107 1.00 0.00 C ATOM 0 H LEU A 61 6.334 6.499 -5.931 1.00 0.00 H new ATOM 0 HA LEU A 61 4.851 8.721 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.166 6.829 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.048 7.879 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 61 4.467 5.462 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.090 4.561 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.611 4.995 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.536 6.084 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.085 5.685 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.466 7.242 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.193 7.061 -8.509 1.00 0.00 H new ATOM 999 N LYS A 62 6.671 9.192 -4.605 1.00 0.00 N ATOM 1000 CA LYS A 62 7.234 9.704 -3.394 1.00 0.00 C ATOM 1001 C LYS A 62 6.553 10.768 -2.603 1.00 0.00 C ATOM 1002 O LYS A 62 6.555 10.695 -1.376 1.00 0.00 O ATOM 1003 CB LYS A 62 8.681 10.155 -3.655 1.00 0.00 C ATOM 1004 CG LYS A 62 8.868 11.323 -4.624 1.00 0.00 C ATOM 1005 CD LYS A 62 9.549 10.989 -5.953 1.00 0.00 C ATOM 1006 CE LYS A 62 11.032 10.637 -5.819 1.00 0.00 C ATOM 1007 NZ LYS A 62 11.542 10.123 -7.109 1.00 0.00 N ATOM 0 H LYS A 62 7.416 8.840 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 62 7.113 8.837 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.130 10.429 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.240 9.301 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.889 11.752 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.452 12.095 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.027 10.152 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.447 11.840 -6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.599 11.518 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.169 9.888 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.161 9.305 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.743 9.832 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.082 10.870 -7.591 1.00 0.00 H new ATOM 1021 N GLY A 63 5.941 11.789 -3.229 1.00 0.00 N ATOM 1022 CA GLY A 63 5.155 12.746 -2.513 1.00 0.00 C ATOM 1023 C GLY A 63 4.230 13.483 -3.418 1.00 0.00 C ATOM 1024 O GLY A 63 3.909 14.645 -3.173 1.00 0.00 O ATOM 0 H GLY A 63 5.991 11.952 -4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.580 12.239 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.813 13.454 -2.009 1.00 0.00 H new ATOM 1028 N LYS A 64 3.768 12.846 -4.508 1.00 0.00 N ATOM 1029 CA LYS A 64 2.772 13.450 -5.338 1.00 0.00 C ATOM 1030 C LYS A 64 1.530 12.626 -5.340 1.00 0.00 C ATOM 1031 O LYS A 64 0.473 13.085 -4.911 1.00 0.00 O ATOM 1032 CB LYS A 64 3.197 13.728 -6.790 1.00 0.00 C ATOM 1033 CG LYS A 64 3.489 15.222 -6.944 1.00 0.00 C ATOM 1034 CD LYS A 64 3.891 15.639 -8.360 1.00 0.00 C ATOM 1035 CE LYS A 64 2.806 15.523 -9.433 1.00 0.00 C ATOM 1036 NZ LYS A 64 1.679 16.450 -9.183 1.00 0.00 N ATOM 0 H LYS A 64 4.079 11.924 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 64 2.600 14.428 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.082 13.143 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.408 13.425 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.604 15.786 -6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.288 15.498 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.232 16.674 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.743 15.032 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.239 15.734 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.434 14.499 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.427 16.937 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.858 15.913 -8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.959 17.152 -8.469 1.00 0.00 H new ATOM 1050 N SER A 65 1.639 11.377 -5.826 1.00 0.00 N ATOM 1051 CA SER A 65 0.535 10.497 -6.053 1.00 0.00 C ATOM 1052 C SER A 65 -0.076 9.930 -4.817 1.00 0.00 C ATOM 1053 O SER A 65 -0.622 8.828 -4.843 1.00 0.00 O ATOM 1054 CB SER A 65 0.886 9.358 -7.025 1.00 0.00 C ATOM 1055 OG SER A 65 1.043 9.849 -8.348 1.00 0.00 O ATOM 0 H SER A 65 2.538 10.962 -6.072 1.00 0.00 H new ATOM 0 HA SER A 65 -0.218 11.142 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.806 8.870 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.101 8.602 -7.004 1.00 0.00 H new ATOM 0 HG SER A 65 0.164 10.072 -8.721 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.112 10.713 -3.724 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.021 10.730 -2.621 1.00 0.00 C ATOM 1063 C GLN A 66 -2.355 11.209 -3.078 1.00 0.00 C ATOM 1064 O GLN A 66 -3.407 10.688 -2.710 1.00 0.00 O ATOM 1065 CB GLN A 66 -0.416 11.775 -1.670 1.00 0.00 C ATOM 1066 CG GLN A 66 -0.794 11.553 -0.204 1.00 0.00 C ATOM 1067 CD GLN A 66 -2.262 11.794 0.116 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -2.841 10.777 0.808 1.00 0.00 O flip ATOM 1069 NE2 GLN A 66 -2.889 12.807 -0.192 1.00 0.00 N flip ATOM 0 H GLN A 66 0.600 11.434 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.154 9.749 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.670 11.756 -1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.745 12.768 -1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.539 10.530 0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.187 12.212 0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.428 13.554 -0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.870 12.900 0.072 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.308 12.224 -3.958 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.383 12.951 -4.559 1.00 0.00 C ATOM 1080 C GLU A 67 -4.105 12.078 -5.528 1.00 0.00 C ATOM 1081 O GLU A 67 -5.331 12.101 -5.628 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.848 14.253 -5.176 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.061 14.168 -6.486 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.222 15.403 -6.779 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -1.265 16.402 -6.014 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -0.501 15.397 -7.814 1.00 0.00 O ATOM 0 H GLU A 67 -1.407 12.574 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.116 13.245 -3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.698 14.916 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.209 14.733 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.408 13.296 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.759 14.010 -7.309 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.331 11.211 -6.203 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.806 10.096 -6.963 1.00 0.00 C ATOM 1095 C ASP A 68 -4.189 8.949 -6.091 1.00 0.00 C ATOM 1096 O ASP A 68 -5.282 8.421 -6.281 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.730 9.596 -7.941 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.384 10.714 -8.915 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -3.310 11.233 -9.593 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.174 11.049 -9.024 1.00 0.00 O ATOM 0 H ASP A 68 -2.314 11.293 -6.219 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.682 10.452 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.840 9.285 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.092 8.723 -8.484 1.00 0.00 H new ATOM 1105 N ALA A 69 -3.355 8.537 -5.120 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.590 7.399 -4.287 1.00 0.00 C ATOM 1107 C ALA A 69 -4.980 7.235 -3.778 1.00 0.00 C ATOM 1108 O ALA A 69 -5.683 6.293 -4.140 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.623 7.386 -3.089 1.00 0.00 C ATOM 0 H ALA A 69 -2.481 9.017 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.415 6.556 -4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.822 6.511 -2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.596 7.349 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.766 8.289 -2.496 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.485 8.199 -2.989 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.853 8.200 -2.572 1.00 0.00 C ATOM 1117 C GLU A 70 -7.942 8.093 -3.584 1.00 0.00 C ATOM 1118 O GLU A 70 -9.055 7.706 -3.232 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.050 9.432 -1.672 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.747 10.726 -2.428 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.613 11.906 -2.011 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.863 11.803 -2.130 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.060 12.973 -1.632 1.00 0.00 O ATOM 0 H GLU A 70 -4.940 8.986 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.982 7.243 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.075 9.455 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.399 9.356 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.699 10.986 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.880 10.550 -3.495 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.759 8.451 -4.867 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.648 8.228 -5.965 1.00 0.00 C ATOM 1132 C LYS A 71 -8.453 6.937 -6.682 1.00 0.00 C ATOM 1133 O LYS A 71 -9.402 6.283 -7.113 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.464 9.327 -7.025 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.567 10.774 -6.538 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.996 11.656 -7.651 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.141 13.166 -7.460 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.811 13.846 -8.733 1.00 0.00 N ATOM 0 H LYS A 71 -6.913 8.940 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.638 8.224 -5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.487 9.193 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.210 9.176 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.603 11.039 -6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.009 10.911 -5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.936 11.425 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.481 11.381 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.158 13.411 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.478 13.511 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.907 14.874 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.833 13.619 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.461 13.523 -9.478 1.00 0.00 H new ATOM 1152 N GLU A 72 -7.189 6.535 -6.901 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.826 5.336 -7.588 1.00 0.00 C ATOM 1154 C GLU A 72 -7.162 4.135 -6.772 1.00 0.00 C ATOM 1155 O GLU A 72 -7.496 3.084 -7.316 1.00 0.00 O ATOM 1156 CB GLU A 72 -5.318 5.329 -7.890 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.897 6.316 -8.980 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.950 5.732 -10.385 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -6.043 5.322 -10.859 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -3.878 5.685 -11.043 1.00 0.00 O ATOM 0 H GLU A 72 -6.382 7.072 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.388 5.304 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.774 5.561 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.023 4.324 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.544 7.192 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.883 6.659 -8.776 1.00 0.00 H new ATOM 1167 N TYR A 73 -7.098 4.260 -5.434 1.00 0.00 N ATOM 1168 CA TYR A 73 -7.111 3.138 -4.548 1.00 0.00 C ATOM 1169 C TYR A 73 -8.428 2.442 -4.506 1.00 0.00 C ATOM 1170 O TYR A 73 -8.481 1.220 -4.638 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.739 3.560 -3.116 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.376 2.388 -2.269 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -5.205 1.707 -2.505 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -7.208 1.986 -1.250 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.825 0.659 -1.700 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.840 0.924 -0.459 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.647 0.272 -0.666 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.305 -0.830 0.145 1.00 0.00 O ATOM 0 H TYR A 73 -7.036 5.160 -4.958 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.370 2.445 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.902 4.258 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.578 4.089 -2.664 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.576 1.999 -3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.141 2.500 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.892 0.145 -1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.496 0.598 0.335 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.769 -0.523 0.906 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.528 3.203 -4.366 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.868 2.725 -4.512 1.00 0.00 C ATOM 1190 C ILE A 74 -11.058 1.800 -5.665 1.00 0.00 C ATOM 1191 O ILE A 74 -11.548 0.684 -5.500 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.881 3.830 -4.505 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -13.323 3.333 -4.698 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.520 4.951 -5.494 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -14.371 4.424 -4.910 1.00 0.00 C ATOM 0 H ILE A 74 -9.481 4.197 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 74 -11.047 2.123 -3.621 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.845 4.259 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.345 2.660 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.607 2.746 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -12.282 5.730 -5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.553 5.376 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.470 4.543 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.352 3.966 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.387 5.086 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.122 4.999 -5.802 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.604 2.192 -6.869 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.738 1.395 -8.049 1.00 0.00 C ATOM 1209 C ALA A 75 -9.921 0.150 -8.070 1.00 0.00 C ATOM 1210 O ALA A 75 -10.419 -0.918 -8.422 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.428 2.260 -9.282 1.00 0.00 C ATOM 0 H ALA A 75 -10.133 3.083 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.771 1.048 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.529 1.657 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.126 3.096 -9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.409 2.641 -9.212 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.646 0.208 -7.647 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.769 -0.919 -7.560 1.00 0.00 C ATOM 1219 C LEU A 76 -8.280 -1.991 -6.660 1.00 0.00 C ATOM 1220 O LEU A 76 -8.231 -3.184 -6.955 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.413 -0.556 -6.933 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.502 0.395 -7.727 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.283 0.700 -6.840 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -5.045 -0.197 -9.071 1.00 0.00 C ATOM 0 H LEU A 76 -8.206 1.080 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.689 -1.250 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.601 -0.107 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.864 -1.481 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.060 1.298 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.609 1.374 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.615 1.170 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.760 -0.228 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.405 0.520 -9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.489 -1.117 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.917 -0.414 -9.688 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.772 -1.565 -5.483 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.181 -2.407 -4.402 1.00 0.00 C ATOM 1238 C VAL A 77 -10.561 -2.927 -4.611 1.00 0.00 C ATOM 1239 O VAL A 77 -10.873 -4.023 -4.149 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.970 -1.675 -3.109 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.721 -2.340 -1.943 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.457 -1.762 -2.852 1.00 0.00 C ATOM 0 H VAL A 77 -8.891 -0.574 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.564 -3.305 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.342 -0.653 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.541 -1.778 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.790 -2.351 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.366 -3.363 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.216 -1.249 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.160 -2.808 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.920 -1.291 -3.675 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.445 -2.262 -5.376 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.694 -2.867 -5.720 1.00 0.00 C ATOM 1254 C ASP A 78 -12.545 -4.046 -6.619 1.00 0.00 C ATOM 1255 O ASP A 78 -13.311 -5.006 -6.552 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.640 -1.814 -6.323 1.00 0.00 C ATOM 1257 CG ASP A 78 -15.059 -1.974 -5.794 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.847 -2.747 -6.402 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.392 -1.340 -4.758 1.00 0.00 O ATOM 0 H ASP A 78 -11.300 -1.324 -5.750 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.132 -3.253 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.273 -0.815 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.643 -1.905 -7.409 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.497 -4.057 -7.462 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.103 -5.184 -8.251 1.00 0.00 C ATOM 1266 C GLN A 79 -10.526 -6.303 -7.453 1.00 0.00 C ATOM 1267 O GLN A 79 -10.708 -7.471 -7.792 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.090 -4.773 -9.334 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.661 -3.758 -10.327 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.680 -3.273 -11.384 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -8.348 -3.357 -11.123 1.00 0.00 O flip ATOM 1272 NE2 GLN A 79 -10.106 -2.810 -12.440 1.00 0.00 N flip ATOM 0 H GLN A 79 -10.897 -3.244 -7.600 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.023 -5.547 -8.709 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.207 -4.349 -8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.765 -5.661 -9.876 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.520 -4.205 -10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.029 -2.896 -9.771 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.111 -2.760 -12.606 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.454 -2.476 -13.150 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.831 -6.008 -6.341 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.318 -6.955 -5.401 1.00 0.00 C ATOM 1283 C LEU A 80 -10.436 -7.559 -4.622 1.00 0.00 C ATOM 1284 O LEU A 80 -10.640 -8.772 -4.653 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.290 -6.317 -4.452 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.959 -5.876 -5.086 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -5.878 -5.896 -3.992 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.487 -6.727 -6.277 1.00 0.00 C ATOM 0 H LEU A 80 -9.614 -5.046 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.806 -7.737 -5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.751 -5.447 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.071 -7.029 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.128 -4.879 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.924 -5.587 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.158 -5.211 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.786 -6.905 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.542 -6.335 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.350 -7.759 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.235 -6.690 -7.069 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.260 -6.741 -3.943 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.308 -7.164 -3.066 1.00 0.00 C ATOM 1302 C ILE A 81 -13.338 -7.990 -3.757 1.00 0.00 C ATOM 1303 O ILE A 81 -13.839 -8.963 -3.197 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.916 -5.970 -2.392 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.958 -5.436 -1.312 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.314 -6.220 -1.800 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.419 -4.144 -0.640 1.00 0.00 C ATOM 0 H ILE A 81 -11.190 -5.726 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.869 -7.813 -2.308 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.062 -5.222 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.829 -6.202 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.980 -5.267 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.680 -5.306 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.997 -6.519 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.257 -7.012 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.685 -3.840 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.520 -3.360 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.382 -4.309 -0.156 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.642 -7.704 -5.036 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.491 -8.520 -5.846 1.00 0.00 C ATOM 1321 C ALA A 82 -14.084 -9.950 -5.935 1.00 0.00 C ATOM 1322 O ALA A 82 -14.932 -10.840 -5.994 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.572 -7.933 -7.266 1.00 0.00 C ATOM 0 H ALA A 82 -13.286 -6.880 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.462 -8.511 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.220 -8.557 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.979 -6.923 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.575 -7.903 -7.705 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.769 -10.230 -5.926 1.00 0.00 N ATOM 1330 CA LYS A 83 -12.228 -11.553 -5.887 1.00 0.00 C ATOM 1331 C LYS A 83 -12.082 -12.034 -4.484 1.00 0.00 C ATOM 1332 O LYS A 83 -12.232 -13.224 -4.212 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.842 -11.595 -6.551 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.671 -10.921 -7.914 1.00 0.00 C ATOM 1335 CD LYS A 83 -11.317 -11.602 -9.122 1.00 0.00 C ATOM 1336 CE LYS A 83 -12.805 -11.289 -9.295 1.00 0.00 C ATOM 1337 NZ LYS A 83 -13.249 -11.597 -10.672 1.00 0.00 N ATOM 0 H LYS A 83 -12.053 -9.504 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.923 -12.197 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.130 -11.140 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.556 -12.641 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.072 -9.910 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.603 -10.827 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.786 -11.298 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.192 -12.681 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.389 -11.870 -8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.988 -10.237 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.261 -11.377 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.705 -11.024 -11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.094 -12.606 -10.869 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.707 -11.133 -3.559 1.00 0.00 N ATOM 1352 CA TYR A 84 -11.018 -11.459 -2.350 1.00 0.00 C ATOM 1353 C TYR A 84 -11.816 -11.323 -1.098 1.00 0.00 C ATOM 1354 O TYR A 84 -11.383 -11.826 -0.064 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.764 -10.581 -2.194 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.684 -10.739 -3.209 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.541 -11.822 -4.043 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.731 -9.751 -3.293 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.490 -11.915 -4.925 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.675 -9.815 -4.171 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.553 -10.912 -4.991 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.479 -11.002 -5.902 1.00 0.00 O ATOM 0 H TYR A 84 -11.892 -10.135 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.778 -12.516 -2.463 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.081 -9.538 -2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.335 -10.779 -1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.270 -12.618 -4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.815 -8.892 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.401 -12.779 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.951 -9.015 -4.216 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.414 -10.169 -6.414 1.00 0.00 H new ATOM 1372 N SER A 85 -12.981 -10.651 -1.105 1.00 0.00 N ATOM 1373 CA SER A 85 -13.845 -10.442 0.015 1.00 0.00 C ATOM 1374 C SER A 85 -14.073 -11.628 0.889 1.00 0.00 C ATOM 1375 O SER A 85 -13.850 -11.591 2.098 1.00 0.00 O ATOM 1376 CB SER A 85 -15.201 -9.834 -0.380 1.00 0.00 C ATOM 1377 OG SER A 85 -15.844 -9.174 0.700 1.00 0.00 O ATOM 0 H SER A 85 -13.344 -10.223 -1.957 1.00 0.00 H new ATOM 0 HA SER A 85 -13.280 -9.725 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.053 -9.126 -1.196 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.852 -10.623 -0.757 1.00 0.00 H new ATOM 0 HG SER A 85 -16.699 -8.805 0.395 1.00 0.00 H new ATOM 1383 N SER A 86 -14.524 -12.749 0.298 1.00 0.00 N ATOM 1384 CA SER A 86 -14.492 -14.027 0.937 1.00 0.00 C ATOM 1385 C SER A 86 -14.485 -15.092 -0.151 1.00 0.00 C ATOM 1386 O SER A 86 -13.486 -15.853 -0.252 1.00 0.00 O ATOM 1387 CB SER A 86 -15.692 -14.311 1.855 1.00 0.00 C ATOM 1388 OG SER A 86 -15.576 -13.592 3.073 1.00 0.00 O ATOM 1389 OXT SER A 86 -15.472 -15.173 -0.931 1.00 0.00 O ATOM 0 H SER A 86 -14.919 -12.768 -0.642 1.00 0.00 H new ATOM 0 HA SER A 86 -13.602 -14.038 1.566 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.616 -14.032 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.752 -15.379 2.062 1.00 0.00 H new ATOM 0 HG SER A 86 -15.013 -12.802 2.934 1.00 0.00 H new