USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 10 ASN : amide:sc= 0.00214 X(o=0.0021,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 20 SER OG : rot 142:sc= 1.6 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.2) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.078) USER MOD Single : A 29 GLN : amide:sc= 0.118 X(o=0.12,f=-0.23) USER MOD Single : A 30 HIS : no HD1:sc= -0.0846 K(o=-0.085,f=-0.91) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.00269 USER MOD Single : A 37 SER OG : rot 160:sc= -0.536 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.00011) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0.123 K(o=0.12,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -11.319 -9.736 5.659 1.00 0.00 N ATOM 70 CA ASN A 10 -11.641 -10.229 4.286 1.00 0.00 C ATOM 71 C ASN A 10 -12.218 -9.173 3.263 1.00 0.00 C ATOM 72 O ASN A 10 -13.420 -9.132 2.987 1.00 0.00 O ATOM 73 CB ASN A 10 -12.528 -11.509 4.431 1.00 0.00 C ATOM 74 CG ASN A 10 -13.851 -11.427 5.208 1.00 0.00 C ATOM 75 OD1 ASN A 10 -13.920 -11.666 6.406 1.00 0.00 O ATOM 76 ND2 ASN A 10 -14.942 -11.096 4.571 1.00 0.00 N ATOM 0 HA ASN A 10 -10.693 -10.467 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.760 -11.861 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -11.918 -12.278 4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.829 -11.041 5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.908 -10.893 3.572 1.00 0.00 H new ATOM 77 N LEU A 11 -11.344 -8.367 2.631 1.00 0.00 N ATOM 78 CA LEU A 11 -11.729 -7.414 1.538 1.00 0.00 C ATOM 79 C LEU A 11 -10.789 -7.492 0.291 1.00 0.00 C ATOM 80 O LEU A 11 -9.605 -7.840 0.346 1.00 0.00 O ATOM 81 CB LEU A 11 -11.825 -5.950 2.073 1.00 0.00 C ATOM 82 CG LEU A 11 -13.222 -5.583 2.604 1.00 0.00 C ATOM 83 CD1 LEU A 11 -13.135 -4.505 3.694 1.00 0.00 C ATOM 84 CD2 LEU A 11 -14.153 -5.110 1.481 1.00 0.00 C ATOM 0 H LEU A 11 -10.349 -8.348 2.853 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.716 -7.727 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.094 -5.814 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.556 -5.260 1.273 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.642 -6.491 3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.137 -4.266 4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.533 -4.875 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.673 -3.608 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.129 -4.861 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.727 -4.228 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.266 -5.904 0.743 1.00 0.00 H new ATOM 85 N ASP A 12 -11.370 -7.143 -0.860 1.00 0.00 N ATOM 86 CA ASP A 12 -10.650 -7.083 -2.164 1.00 0.00 C ATOM 87 C ASP A 12 -9.882 -5.733 -2.397 1.00 0.00 C ATOM 88 O ASP A 12 -10.162 -4.719 -1.746 1.00 0.00 O ATOM 89 CB ASP A 12 -11.716 -7.263 -3.279 1.00 0.00 C ATOM 90 CG ASP A 12 -12.526 -8.557 -3.279 1.00 0.00 C ATOM 91 OD1 ASP A 12 -12.081 -9.630 -3.671 1.00 0.00 O ATOM 92 OD2 ASP A 12 -13.787 -8.370 -2.789 1.00 0.00 O ATOM 0 H ASP A 12 -12.356 -6.891 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.892 -7.866 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.415 -6.429 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.212 -7.182 -4.242 1.00 0.00 H new ATOM 93 N GLU A 13 -8.937 -5.698 -3.363 1.00 0.00 N ATOM 94 CA GLU A 13 -8.278 -4.417 -3.766 1.00 0.00 C ATOM 95 C GLU A 13 -9.279 -3.624 -4.694 1.00 0.00 C ATOM 96 O GLU A 13 -9.968 -4.191 -5.550 1.00 0.00 O ATOM 97 CB GLU A 13 -6.835 -4.673 -4.296 1.00 0.00 C ATOM 98 CG GLU A 13 -6.533 -4.633 -5.815 1.00 0.00 C ATOM 99 CD GLU A 13 -7.185 -5.743 -6.641 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.294 -6.909 -6.272 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.636 -5.292 -7.841 1.00 0.00 O ATOM 0 H GLU A 13 -8.613 -6.519 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.088 -3.753 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.183 -3.940 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.529 -5.655 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.860 -3.670 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.453 -4.685 -5.955 1.00 0.00 H new ATOM 102 N GLY A 14 -9.376 -2.311 -4.482 1.00 0.00 N ATOM 103 CA GLY A 14 -10.404 -1.446 -5.139 1.00 0.00 C ATOM 104 C GLY A 14 -11.599 -1.005 -4.238 1.00 0.00 C ATOM 105 O GLY A 14 -12.494 -0.309 -4.718 1.00 0.00 O ATOM 0 H GLY A 14 -8.754 -1.801 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.910 -0.551 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.802 -1.980 -6.002 1.00 0.00 H new ATOM 106 N GLU A 15 -11.623 -1.396 -2.950 1.00 0.00 N ATOM 107 CA GLU A 15 -12.695 -1.058 -1.979 1.00 0.00 C ATOM 108 C GLU A 15 -12.134 -0.113 -0.855 1.00 0.00 C ATOM 109 O GLU A 15 -10.952 -0.153 -0.488 1.00 0.00 O ATOM 110 CB GLU A 15 -13.264 -2.396 -1.414 1.00 0.00 C ATOM 111 CG GLU A 15 -13.949 -3.326 -2.459 1.00 0.00 C ATOM 112 CD GLU A 15 -14.707 -4.522 -1.892 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.915 -4.165 -1.379 1.00 0.00 O ATOM 114 OE2 GLU A 15 -14.289 -5.678 -1.903 1.00 0.00 O ATOM 0 H GLU A 15 -10.884 -1.968 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.505 -0.509 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.450 -2.946 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.987 -2.162 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.643 -2.728 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.185 -3.696 -3.143 1.00 0.00 H new ATOM 115 N LEU A 16 -12.998 0.756 -0.302 1.00 0.00 N ATOM 116 CA LEU A 16 -12.600 1.766 0.729 1.00 0.00 C ATOM 117 C LEU A 16 -12.230 1.115 2.111 1.00 0.00 C ATOM 118 O LEU A 16 -12.988 0.317 2.672 1.00 0.00 O ATOM 119 CB LEU A 16 -13.768 2.795 0.808 1.00 0.00 C ATOM 120 CG LEU A 16 -13.478 4.141 1.536 1.00 0.00 C ATOM 121 CD1 LEU A 16 -14.425 5.242 1.026 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.643 4.052 3.064 1.00 0.00 C ATOM 0 H LEU A 16 -13.988 0.789 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.678 2.273 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.088 3.022 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.609 2.314 1.307 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.437 4.378 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.210 6.176 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.279 5.380 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.458 4.951 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.427 5.023 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.666 3.763 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.953 3.308 3.462 1.00 0.00 H new ATOM 123 N CYS A 17 -11.048 1.464 2.644 1.00 0.00 N ATOM 124 CA CYS A 17 -10.522 0.908 3.917 1.00 0.00 C ATOM 125 C CYS A 17 -10.058 2.002 4.930 1.00 0.00 C ATOM 126 O CYS A 17 -9.606 3.089 4.558 1.00 0.00 O ATOM 127 CB CYS A 17 -9.331 -0.002 3.536 1.00 0.00 C ATOM 128 SG CYS A 17 -8.109 0.899 2.551 1.00 0.00 S ATOM 0 H CYS A 17 -10.422 2.142 2.208 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.319 0.364 4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.860 -0.387 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.693 -0.863 2.973 1.00 0.00 H new ATOM 129 N LEU A 18 -10.131 1.681 6.234 1.00 0.00 N ATOM 130 CA LEU A 18 -9.595 2.563 7.307 1.00 0.00 C ATOM 131 C LEU A 18 -8.074 2.229 7.478 1.00 0.00 C ATOM 132 O LEU A 18 -7.240 2.975 6.975 1.00 0.00 O ATOM 133 CB LEU A 18 -10.463 2.404 8.594 1.00 0.00 C ATOM 134 CG LEU A 18 -11.910 2.959 8.554 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.676 2.503 9.806 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.945 4.495 8.478 1.00 0.00 C ATOM 0 H LEU A 18 -10.554 0.819 6.579 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.659 3.622 7.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.516 1.342 8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.938 2.891 9.416 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.380 2.567 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.692 2.895 9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.708 1.414 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.171 2.876 10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.980 4.835 8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.447 4.914 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.432 4.826 7.575 1.00 0.00 H new ATOM 137 N ASN A 19 -7.713 1.167 8.217 1.00 0.00 N ATOM 138 CA ASN A 19 -6.299 0.682 8.323 1.00 0.00 C ATOM 139 C ASN A 19 -5.975 -0.463 7.295 1.00 0.00 C ATOM 140 O ASN A 19 -6.855 -0.958 6.581 1.00 0.00 O ATOM 141 CB ASN A 19 -6.070 0.288 9.815 1.00 0.00 C ATOM 142 CG ASN A 19 -5.734 1.481 10.707 1.00 0.00 C ATOM 143 OD1 ASN A 19 -4.622 1.992 10.692 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.664 1.979 11.478 1.00 0.00 N ATOM 0 H ASN A 19 -8.377 0.614 8.760 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.594 1.466 8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.966 -0.202 10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.260 -0.440 9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.461 2.789 12.063 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.593 1.557 11.495 1.00 0.00 H new ATOM 145 N SER A 20 -4.716 -0.951 7.263 1.00 0.00 N ATOM 146 CA SER A 20 -4.340 -2.141 6.418 1.00 0.00 C ATOM 147 C SER A 20 -4.893 -3.533 6.902 1.00 0.00 C ATOM 148 O SER A 20 -4.800 -4.519 6.170 1.00 0.00 O ATOM 149 CB SER A 20 -2.813 -2.152 6.236 1.00 0.00 C ATOM 150 OG SER A 20 -2.464 -1.147 5.284 1.00 0.00 O ATOM 0 H SER A 20 -3.942 -0.557 7.798 1.00 0.00 H new ATOM 0 HA SER A 20 -4.842 -2.011 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.317 -1.961 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.479 -3.131 5.893 1.00 0.00 H new ATOM 0 HG SER A 20 -1.633 -0.708 5.561 1.00 0.00 H new ATOM 151 N ALA A 21 -5.542 -3.599 8.078 1.00 0.00 N ATOM 152 CA ALA A 21 -6.240 -4.812 8.577 1.00 0.00 C ATOM 153 C ALA A 21 -7.633 -5.152 7.935 1.00 0.00 C ATOM 154 O ALA A 21 -8.300 -6.094 8.359 1.00 0.00 O ATOM 155 CB ALA A 21 -6.460 -4.503 10.063 1.00 0.00 C ATOM 0 H ALA A 21 -5.601 -2.808 8.719 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.631 -5.683 8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.973 -5.340 10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.497 -4.347 10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.066 -3.603 10.162 1.00 0.00 H new ATOM 156 N GLN A 22 -8.040 -4.428 6.889 1.00 0.00 N ATOM 157 CA GLN A 22 -9.354 -4.594 6.224 1.00 0.00 C ATOM 158 C GLN A 22 -9.283 -5.606 5.030 1.00 0.00 C ATOM 159 O GLN A 22 -10.109 -6.515 4.938 1.00 0.00 O ATOM 160 CB GLN A 22 -9.801 -3.178 5.748 1.00 0.00 C ATOM 161 CG GLN A 22 -10.153 -2.118 6.830 1.00 0.00 C ATOM 162 CD GLN A 22 -11.360 -2.383 7.730 1.00 0.00 C ATOM 163 OE1 GLN A 22 -11.242 -2.557 8.934 1.00 0.00 O ATOM 164 NE2 GLN A 22 -12.558 -2.371 7.203 1.00 0.00 N ATOM 0 H GLN A 22 -7.465 -3.698 6.468 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.080 -5.015 6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.004 -2.768 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.674 -3.302 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.280 -1.993 7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.316 -1.166 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.672 -2.227 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.377 -2.506 7.796 1.00 0.00 H new ATOM 165 N CYS A 23 -8.327 -5.422 4.107 1.00 0.00 N ATOM 166 CA CYS A 23 -8.161 -6.265 2.906 1.00 0.00 C ATOM 167 C CYS A 23 -7.375 -7.588 3.149 1.00 0.00 C ATOM 168 O CYS A 23 -6.435 -7.634 3.946 1.00 0.00 O ATOM 169 CB CYS A 23 -7.489 -5.330 1.894 1.00 0.00 C ATOM 170 SG CYS A 23 -8.616 -3.936 1.624 1.00 0.00 S ATOM 0 H CYS A 23 -7.636 -4.674 4.172 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.118 -6.647 2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.528 -4.981 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.292 -5.853 0.958 1.00 0.00 H new ATOM 171 N LYS A 24 -7.729 -8.649 2.398 1.00 0.00 N ATOM 172 CA LYS A 24 -6.996 -9.963 2.398 1.00 0.00 C ATOM 173 C LYS A 24 -5.464 -9.756 2.111 1.00 0.00 C ATOM 174 O LYS A 24 -4.599 -10.191 2.875 1.00 0.00 O ATOM 175 CB LYS A 24 -7.685 -10.893 1.357 1.00 0.00 C ATOM 176 CG LYS A 24 -9.139 -11.305 1.671 1.00 0.00 C ATOM 177 CD LYS A 24 -9.935 -11.941 0.515 1.00 0.00 C ATOM 178 CE LYS A 24 -9.568 -13.389 0.140 1.00 0.00 C ATOM 179 NZ LYS A 24 -8.392 -13.442 -0.749 1.00 0.00 N ATOM 0 H LYS A 24 -8.531 -8.635 1.768 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.047 -10.433 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.672 -10.393 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.086 -11.798 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.123 -12.009 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.679 -10.421 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.993 -11.914 0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.808 -11.317 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.365 -13.959 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.417 -13.864 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.373 -14.355 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.447 -12.671 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.525 -13.337 -0.184 1.00 0.00 H new ATOM 180 N SER A 25 -5.150 -9.065 0.998 1.00 0.00 N ATOM 181 CA SER A 25 -3.776 -8.575 0.724 1.00 0.00 C ATOM 182 C SER A 25 -3.699 -7.228 1.525 1.00 0.00 C ATOM 183 O SER A 25 -4.296 -6.227 1.115 1.00 0.00 O ATOM 184 CB SER A 25 -3.567 -8.403 -0.797 1.00 0.00 C ATOM 185 OG SER A 25 -3.576 -9.668 -1.459 1.00 0.00 O ATOM 0 H SER A 25 -5.826 -8.831 0.271 1.00 0.00 H new ATOM 0 HA SER A 25 -2.985 -9.258 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.353 -7.768 -1.207 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.619 -7.897 -0.983 1.00 0.00 H new ATOM 0 HG SER A 25 -3.444 -9.535 -2.421 1.00 0.00 H new ATOM 186 N ASN A 26 -3.002 -7.229 2.676 1.00 0.00 N ATOM 187 CA ASN A 26 -2.976 -6.064 3.618 1.00 0.00 C ATOM 188 C ASN A 26 -2.197 -4.807 3.084 1.00 0.00 C ATOM 189 O ASN A 26 -1.045 -4.503 3.399 1.00 0.00 O ATOM 190 CB ASN A 26 -2.465 -6.602 4.994 1.00 0.00 C ATOM 191 CG ASN A 26 -0.973 -6.869 5.247 1.00 0.00 C ATOM 192 OD1 ASN A 26 -0.356 -6.287 6.132 1.00 0.00 O ATOM 193 ND2 ASN A 26 -0.342 -7.746 4.513 1.00 0.00 N ATOM 0 H ASN A 26 -2.442 -8.022 2.989 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.983 -5.661 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.793 -5.892 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.991 -7.538 5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.646 -7.936 4.681 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.837 -8.241 3.771 1.00 0.00 H new ATOM 194 N CYS A 27 -2.929 -4.079 2.242 1.00 0.00 N ATOM 195 CA CYS A 27 -2.429 -2.910 1.492 1.00 0.00 C ATOM 196 C CYS A 27 -3.537 -1.815 1.406 1.00 0.00 C ATOM 197 O CYS A 27 -4.117 -1.598 0.340 1.00 0.00 O ATOM 198 CB CYS A 27 -1.939 -3.446 0.114 1.00 0.00 C ATOM 199 SG CYS A 27 -1.795 -2.156 -1.155 1.00 0.00 S ATOM 0 H CYS A 27 -3.910 -4.284 2.053 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.592 -2.415 1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.969 -3.927 0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.630 -4.213 -0.235 1.00 0.00 H new ATOM 200 N CYS A 28 -3.843 -1.099 2.513 1.00 0.00 N ATOM 201 CA CYS A 28 -4.763 0.077 2.464 1.00 0.00 C ATOM 202 C CYS A 28 -3.892 1.238 1.905 1.00 0.00 C ATOM 203 O CYS A 28 -2.930 1.665 2.551 1.00 0.00 O ATOM 204 CB CYS A 28 -5.352 0.373 3.853 1.00 0.00 C ATOM 205 SG CYS A 28 -6.651 1.615 3.723 1.00 0.00 S ATOM 0 H CYS A 28 -3.476 -1.306 3.442 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.634 -0.090 1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.755 -0.542 4.288 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.567 0.725 4.522 1.00 0.00 H new ATOM 206 N GLN A 29 -4.179 1.693 0.682 1.00 0.00 N ATOM 207 CA GLN A 29 -3.295 2.648 -0.027 1.00 0.00 C ATOM 208 C GLN A 29 -3.778 4.138 0.028 1.00 0.00 C ATOM 209 O GLN A 29 -4.839 4.518 -0.469 1.00 0.00 O ATOM 210 CB GLN A 29 -3.119 1.998 -1.426 1.00 0.00 C ATOM 211 CG GLN A 29 -1.933 2.515 -2.286 1.00 0.00 C ATOM 212 CD GLN A 29 -2.380 3.469 -3.382 1.00 0.00 C ATOM 213 OE1 GLN A 29 -2.849 3.072 -4.442 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.334 4.740 -3.131 1.00 0.00 N ATOM 0 H GLN A 29 -5.010 1.422 0.157 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.324 2.786 0.449 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.999 0.923 -1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.040 2.147 -1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.214 3.020 -1.641 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.418 1.666 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.944 5.072 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.688 5.408 -3.816 1.00 0.00 H new ATOM 215 N HIS A 30 -2.948 4.956 0.688 1.00 0.00 N ATOM 216 CA HIS A 30 -3.162 6.404 0.935 1.00 0.00 C ATOM 217 C HIS A 30 -2.753 7.305 -0.279 1.00 0.00 C ATOM 218 O HIS A 30 -1.881 6.949 -1.076 1.00 0.00 O ATOM 219 CB HIS A 30 -2.255 6.728 2.168 1.00 0.00 C ATOM 220 CG HIS A 30 -2.660 7.882 3.076 1.00 0.00 C ATOM 221 ND1 HIS A 30 -2.760 9.191 2.645 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.655 7.832 4.482 1.00 0.00 C ATOM 223 CE1 HIS A 30 -2.839 9.817 3.851 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.789 9.102 5.006 1.00 0.00 N ATOM 0 H HIS A 30 -2.070 4.621 1.085 1.00 0.00 H new ATOM 0 HA HIS A 30 -4.219 6.611 1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.192 5.829 2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.250 6.932 1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.560 6.929 5.067 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.942 10.891 3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.837 9.413 5.976 1.00 0.00 H new ATOM 225 N ASP A 31 -3.302 8.525 -0.345 1.00 0.00 N ATOM 226 CA ASP A 31 -2.924 9.533 -1.375 1.00 0.00 C ATOM 227 C ASP A 31 -1.407 9.985 -1.383 1.00 0.00 C ATOM 228 O ASP A 31 -0.757 9.895 -2.423 1.00 0.00 O ATOM 229 CB ASP A 31 -3.955 10.704 -1.309 1.00 0.00 C ATOM 230 CG ASP A 31 -3.752 11.885 -0.350 1.00 0.00 C ATOM 231 OD1 ASP A 31 -3.665 11.505 0.953 1.00 0.00 O ATOM 232 OD2 ASP A 31 -3.662 13.049 -0.723 1.00 0.00 O ATOM 0 H ASP A 31 -4.018 8.851 0.305 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.984 9.052 -2.351 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.031 11.119 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.923 10.263 -1.072 1.00 0.00 H new ATOM 233 N THR A 32 -0.878 10.477 -0.244 1.00 0.00 N ATOM 234 CA THR A 32 0.508 11.055 -0.092 1.00 0.00 C ATOM 235 C THR A 32 0.744 11.643 1.355 1.00 0.00 C ATOM 236 O THR A 32 1.847 11.494 1.887 1.00 0.00 O ATOM 237 CB THR A 32 0.895 12.128 -1.169 1.00 0.00 C ATOM 238 OG1 THR A 32 2.259 12.515 -1.024 1.00 0.00 O ATOM 239 CG2 THR A 32 0.052 13.406 -1.122 1.00 0.00 C ATOM 0 H THR A 32 -1.404 10.492 0.630 1.00 0.00 H new ATOM 0 HA THR A 32 1.169 10.203 -0.255 1.00 0.00 H new ATOM 0 HB THR A 32 0.709 11.636 -2.124 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.484 13.183 -1.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.387 14.092 -1.900 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.996 13.157 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.164 13.880 -0.147 1.00 0.00 H new ATOM 240 N ILE A 33 -0.253 12.310 1.985 1.00 0.00 N ATOM 241 CA ILE A 33 -0.128 12.930 3.349 1.00 0.00 C ATOM 242 C ILE A 33 -1.516 13.129 4.073 1.00 0.00 C ATOM 243 O ILE A 33 -1.623 12.763 5.245 1.00 0.00 O ATOM 244 CB ILE A 33 0.726 14.250 3.284 1.00 0.00 C ATOM 245 CG1 ILE A 33 1.213 14.762 4.670 1.00 0.00 C ATOM 246 CG2 ILE A 33 0.000 15.420 2.588 1.00 0.00 C ATOM 247 CD1 ILE A 33 2.426 13.999 5.213 1.00 0.00 C ATOM 0 H ILE A 33 -1.175 12.440 1.569 1.00 0.00 H new ATOM 0 HA ILE A 33 0.411 12.221 3.977 1.00 0.00 H new ATOM 0 HB ILE A 33 1.588 13.944 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.465 15.819 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.394 14.683 5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.648 16.297 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.244 15.139 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.918 15.652 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.710 14.410 6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.172 12.945 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.260 14.099 4.518 1.00 0.00 H new ATOM 248 N LEU A 34 -2.571 13.666 3.412 1.00 0.00 N ATOM 249 CA LEU A 34 -3.876 13.991 4.069 1.00 0.00 C ATOM 250 C LEU A 34 -4.765 12.723 4.322 1.00 0.00 C ATOM 251 O LEU A 34 -4.724 12.196 5.436 1.00 0.00 O ATOM 252 CB LEU A 34 -4.587 15.110 3.239 1.00 0.00 C ATOM 253 CG LEU A 34 -3.915 16.505 3.139 1.00 0.00 C ATOM 254 CD1 LEU A 34 -4.733 17.419 2.212 1.00 0.00 C ATOM 255 CD2 LEU A 34 -3.751 17.195 4.504 1.00 0.00 C ATOM 0 H LEU A 34 -2.549 13.887 2.416 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.691 14.375 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.721 14.734 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.582 15.252 3.660 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.917 16.338 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.253 18.396 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.786 16.975 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.740 17.535 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.275 18.166 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.730 17.333 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.131 16.576 5.152 1.00 0.00 H new ATOM 256 N SER A 35 -5.556 12.213 3.350 1.00 0.00 N ATOM 257 CA SER A 35 -6.320 10.938 3.531 1.00 0.00 C ATOM 258 C SER A 35 -6.639 10.220 2.176 1.00 0.00 C ATOM 259 O SER A 35 -5.699 9.871 1.458 1.00 0.00 O ATOM 260 CB SER A 35 -7.530 11.177 4.492 1.00 0.00 C ATOM 261 OG SER A 35 -8.507 12.053 3.924 1.00 0.00 O ATOM 0 H SER A 35 -5.687 12.652 2.439 1.00 0.00 H new ATOM 0 HA SER A 35 -5.690 10.202 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.997 10.221 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.169 11.598 5.430 1.00 0.00 H new ATOM 0 HG SER A 35 -9.246 12.173 4.557 1.00 0.00 H new ATOM 262 N LEU A 36 -7.917 9.926 1.843 1.00 0.00 N ATOM 263 CA LEU A 36 -8.333 9.120 0.645 1.00 0.00 C ATOM 264 C LEU A 36 -7.599 7.728 0.621 1.00 0.00 C ATOM 265 O LEU A 36 -6.561 7.565 -0.026 1.00 0.00 O ATOM 266 CB LEU A 36 -8.198 9.982 -0.647 1.00 0.00 C ATOM 267 CG LEU A 36 -9.016 9.527 -1.887 1.00 0.00 C ATOM 268 CD1 LEU A 36 -9.030 10.651 -2.937 1.00 0.00 C ATOM 269 CD2 LEU A 36 -8.470 8.254 -2.559 1.00 0.00 C ATOM 0 H LEU A 36 -8.710 10.242 2.401 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.390 8.859 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.490 11.004 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.145 10.010 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.017 9.301 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.604 10.330 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.488 11.543 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.008 10.878 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.093 7.999 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.447 8.429 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.482 7.431 -1.844 1.00 0.00 H new ATOM 270 N SER A 37 -8.106 6.758 1.403 1.00 0.00 N ATOM 271 CA SER A 37 -7.437 5.436 1.569 1.00 0.00 C ATOM 272 C SER A 37 -8.334 4.276 1.032 1.00 0.00 C ATOM 273 O SER A 37 -9.369 3.909 1.599 1.00 0.00 O ATOM 274 CB SER A 37 -7.013 5.276 3.046 1.00 0.00 C ATOM 275 OG SER A 37 -6.189 6.368 3.463 1.00 0.00 O ATOM 0 H SER A 37 -8.973 6.855 1.932 1.00 0.00 H new ATOM 0 HA SER A 37 -6.532 5.387 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.899 5.222 3.679 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.472 4.338 3.173 1.00 0.00 H new ATOM 0 HG SER A 37 -6.196 6.428 4.441 1.00 0.00 H new ATOM 276 N ARG A 38 -7.920 3.726 -0.111 1.00 0.00 N ATOM 277 CA ARG A 38 -8.597 2.594 -0.800 1.00 0.00 C ATOM 278 C ARG A 38 -7.551 1.459 -1.040 1.00 0.00 C ATOM 279 O ARG A 38 -6.394 1.744 -1.365 1.00 0.00 O ATOM 280 CB ARG A 38 -9.163 3.169 -2.127 1.00 0.00 C ATOM 281 CG ARG A 38 -10.094 2.217 -2.924 1.00 0.00 C ATOM 282 CD ARG A 38 -10.094 2.462 -4.444 1.00 0.00 C ATOM 283 NE ARG A 38 -8.824 1.953 -5.027 1.00 0.00 N ATOM 284 CZ ARG A 38 -8.577 1.795 -6.319 1.00 0.00 C ATOM 285 NH1 ARG A 38 -9.419 2.102 -7.271 1.00 0.00 N ATOM 286 NH2 ARG A 38 -7.430 1.295 -6.653 1.00 0.00 N ATOM 0 H ARG A 38 -7.089 4.052 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.410 2.162 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.713 4.082 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.327 3.451 -2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.792 1.187 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.112 2.325 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.945 1.960 -4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.201 3.527 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.079 1.704 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.333 2.490 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.162 1.953 -8.247 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.756 1.039 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.201 1.157 -7.637 1.00 0.00 H new ATOM 287 N CYS A 39 -7.904 0.168 -0.898 1.00 0.00 N ATOM 288 CA CYS A 39 -6.924 -0.923 -1.134 1.00 0.00 C ATOM 289 C CYS A 39 -6.458 -1.068 -2.617 1.00 0.00 C ATOM 290 O CYS A 39 -7.167 -0.807 -3.590 1.00 0.00 O ATOM 291 CB CYS A 39 -7.470 -2.258 -0.599 1.00 0.00 C ATOM 292 SG CYS A 39 -7.624 -2.268 1.182 1.00 0.00 S ATOM 0 H CYS A 39 -8.836 -0.147 -0.628 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.029 -0.640 -0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.445 -2.454 -1.046 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.809 -3.068 -0.908 1.00 0.00 H new ATOM 293 N ALA A 40 -5.203 -1.489 -2.734 1.00 0.00 N ATOM 294 CA ALA A 40 -4.476 -1.602 -4.014 1.00 0.00 C ATOM 295 C ALA A 40 -3.586 -2.891 -4.081 1.00 0.00 C ATOM 296 O ALA A 40 -3.585 -3.747 -3.189 1.00 0.00 O ATOM 297 CB ALA A 40 -3.711 -0.266 -4.080 1.00 0.00 C ATOM 0 H ALA A 40 -4.642 -1.770 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.115 -1.738 -4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.125 -0.227 -4.998 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.421 0.561 -4.068 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.045 -0.185 -3.221 1.00 0.00 H new ATOM 298 N LEU A 41 -2.856 -3.051 -5.189 1.00 0.00 N ATOM 299 CA LEU A 41 -1.960 -4.222 -5.403 1.00 0.00 C ATOM 300 C LEU A 41 -0.534 -4.015 -4.778 1.00 0.00 C ATOM 301 O LEU A 41 0.031 -2.917 -4.803 1.00 0.00 O ATOM 302 CB LEU A 41 -1.926 -4.453 -6.945 1.00 0.00 C ATOM 303 CG LEU A 41 -1.209 -5.729 -7.462 1.00 0.00 C ATOM 304 CD1 LEU A 41 -1.894 -7.029 -7.005 1.00 0.00 C ATOM 305 CD2 LEU A 41 -1.153 -5.715 -8.998 1.00 0.00 C ATOM 0 H LEU A 41 -2.859 -2.387 -5.963 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.337 -5.106 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.955 -4.476 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.447 -3.588 -7.404 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.206 -5.713 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.347 -7.886 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.903 -7.072 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.918 -7.051 -7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.648 -6.614 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.166 -5.686 -9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.605 -4.835 -9.334 1.00 0.00 H new ATOM 306 N LYS A 42 0.049 -5.093 -4.223 1.00 0.00 N ATOM 307 CA LYS A 42 1.454 -5.083 -3.708 1.00 0.00 C ATOM 308 C LYS A 42 2.473 -5.051 -4.909 1.00 0.00 C ATOM 309 O LYS A 42 2.244 -5.673 -5.954 1.00 0.00 O ATOM 310 CB LYS A 42 1.604 -6.298 -2.748 1.00 0.00 C ATOM 311 CG LYS A 42 2.782 -6.174 -1.753 1.00 0.00 C ATOM 312 CD LYS A 42 2.828 -7.248 -0.648 1.00 0.00 C ATOM 313 CE LYS A 42 1.747 -7.086 0.437 1.00 0.00 C ATOM 314 NZ LYS A 42 1.944 -8.101 1.489 1.00 0.00 N ATOM 0 H LYS A 42 -0.423 -5.991 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 42 1.683 -4.185 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.678 -6.420 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.737 -7.202 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.716 -6.214 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.735 -5.193 -1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.721 -8.231 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.809 -7.223 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.798 -6.086 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.756 -7.193 -0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.213 -7.989 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.874 -9.051 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.884 -7.979 1.918 1.00 0.00 H new ATOM 315 N ALA A 43 3.606 -4.345 -4.771 1.00 0.00 N ATOM 316 CA ALA A 43 4.531 -4.112 -5.907 1.00 0.00 C ATOM 317 C ALA A 43 5.460 -5.283 -6.369 1.00 0.00 C ATOM 318 O ALA A 43 5.870 -6.188 -5.634 1.00 0.00 O ATOM 319 CB ALA A 43 5.340 -2.861 -5.506 1.00 0.00 C ATOM 0 H ALA A 43 3.908 -3.925 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 43 3.923 -3.996 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.051 -2.619 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.662 -2.021 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.880 -3.058 -4.580 1.00 0.00 H new ATOM 320 N ARG A 44 5.767 -5.183 -7.668 1.00 0.00 N ATOM 321 CA ARG A 44 6.627 -6.129 -8.417 1.00 0.00 C ATOM 322 C ARG A 44 7.857 -5.413 -9.050 1.00 0.00 C ATOM 323 O ARG A 44 8.005 -4.191 -8.998 1.00 0.00 O ATOM 324 CB ARG A 44 5.744 -6.852 -9.489 1.00 0.00 C ATOM 325 CG ARG A 44 5.268 -8.270 -9.120 1.00 0.00 C ATOM 326 CD ARG A 44 6.385 -9.243 -8.712 1.00 0.00 C ATOM 327 NE ARG A 44 5.912 -10.647 -8.744 1.00 0.00 N ATOM 328 CZ ARG A 44 6.673 -11.707 -8.491 1.00 0.00 C ATOM 329 NH1 ARG A 44 7.939 -11.647 -8.165 1.00 0.00 N ATOM 330 NH2 ARG A 44 6.126 -12.879 -8.569 1.00 0.00 N ATOM 0 H ARG A 44 5.418 -4.422 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 44 7.041 -6.871 -7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.867 -6.235 -9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.309 -6.910 -10.419 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.554 -8.196 -8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.733 -8.691 -9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.235 -9.128 -9.385 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.736 -8.998 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 44 4.933 -10.812 -8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.404 -10.742 -8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.460 -12.505 -7.985 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.141 -12.966 -8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.681 -13.714 -8.381 1.00 0.00 H new ATOM 331 N GLU A 45 8.746 -6.200 -9.676 1.00 0.00 N ATOM 332 CA GLU A 45 10.038 -5.690 -10.219 1.00 0.00 C ATOM 333 C GLU A 45 9.872 -4.535 -11.268 1.00 0.00 C ATOM 334 O GLU A 45 9.135 -4.645 -12.250 1.00 0.00 O ATOM 335 CB GLU A 45 10.887 -6.874 -10.757 1.00 0.00 C ATOM 336 CG GLU A 45 12.350 -6.477 -11.107 1.00 0.00 C ATOM 337 CD GLU A 45 13.331 -7.635 -11.227 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.255 -8.258 -12.433 1.00 0.00 O ATOM 339 OE2 GLU A 45 14.107 -7.965 -10.337 1.00 0.00 O ATOM 0 H GLU A 45 8.603 -7.199 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 45 10.577 -5.224 -9.394 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.903 -7.669 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.406 -7.281 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.344 -5.929 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.715 -5.792 -10.342 1.00 0.00 H new ATOM 340 N ASN A 46 10.595 -3.438 -11.001 1.00 0.00 N ATOM 341 CA ASN A 46 10.508 -2.138 -11.753 1.00 0.00 C ATOM 342 C ASN A 46 9.231 -1.280 -11.388 1.00 0.00 C ATOM 343 O ASN A 46 8.785 -0.466 -12.201 1.00 0.00 O ATOM 344 CB ASN A 46 10.714 -2.295 -13.294 1.00 0.00 C ATOM 345 CG ASN A 46 12.044 -2.896 -13.731 1.00 0.00 C ATOM 346 OD1 ASN A 46 13.106 -2.302 -13.600 1.00 0.00 O ATOM 347 ND2 ASN A 46 12.032 -4.078 -14.282 1.00 0.00 N ATOM 0 H ASN A 46 11.277 -3.410 -10.243 1.00 0.00 H new ATOM 0 HA ASN A 46 11.360 -1.556 -11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.910 -2.917 -13.687 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.612 -1.313 -13.756 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.904 -4.501 -14.600 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.151 -4.579 -14.395 1.00 0.00 H new ATOM 348 N SER A 47 8.695 -1.377 -10.149 1.00 0.00 N ATOM 349 CA SER A 47 7.555 -0.541 -9.681 1.00 0.00 C ATOM 350 C SER A 47 7.894 0.234 -8.363 1.00 0.00 C ATOM 351 O SER A 47 8.675 -0.211 -7.516 1.00 0.00 O ATOM 352 CB SER A 47 6.325 -1.464 -9.516 1.00 0.00 C ATOM 353 OG SER A 47 5.146 -0.688 -9.290 1.00 0.00 O ATOM 0 H SER A 47 9.036 -2.032 -9.446 1.00 0.00 H new ATOM 0 HA SER A 47 7.338 0.231 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.199 -2.076 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.484 -2.147 -8.681 1.00 0.00 H new ATOM 0 HG SER A 47 4.376 -1.285 -9.189 1.00 0.00 H new ATOM 354 N GLU A 48 7.276 1.412 -8.209 1.00 0.00 N ATOM 355 CA GLU A 48 7.491 2.326 -7.060 1.00 0.00 C ATOM 356 C GLU A 48 6.737 1.872 -5.758 1.00 0.00 C ATOM 357 O GLU A 48 5.522 2.009 -5.591 1.00 0.00 O ATOM 358 CB GLU A 48 7.024 3.755 -7.457 1.00 0.00 C ATOM 359 CG GLU A 48 7.878 4.509 -8.508 1.00 0.00 C ATOM 360 CD GLU A 48 7.292 5.865 -8.886 1.00 0.00 C ATOM 361 OE1 GLU A 48 7.444 6.792 -7.902 1.00 0.00 O ATOM 362 OE2 GLU A 48 6.734 6.095 -9.952 1.00 0.00 O ATOM 0 H GLU A 48 6.601 1.770 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 48 8.556 2.310 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.005 3.685 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.986 4.362 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.885 4.651 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.968 3.895 -9.404 1.00 0.00 H new ATOM 363 N CYS A 49 7.530 1.337 -4.844 1.00 0.00 N ATOM 364 CA CYS A 49 7.131 0.939 -3.471 1.00 0.00 C ATOM 365 C CYS A 49 7.574 2.006 -2.401 1.00 0.00 C ATOM 366 O CYS A 49 8.364 2.918 -2.660 1.00 0.00 O ATOM 367 CB CYS A 49 7.821 -0.449 -3.251 1.00 0.00 C ATOM 368 SG CYS A 49 8.558 -0.620 -1.608 1.00 0.00 S ATOM 0 H CYS A 49 8.516 1.153 -5.030 1.00 0.00 H new ATOM 0 HA CYS A 49 6.049 0.874 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.087 -1.241 -3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.595 -0.588 -4.006 1.00 0.00 H new ATOM 369 N SER A 50 7.051 1.888 -1.168 1.00 0.00 N ATOM 370 CA SER A 50 7.540 2.688 0.001 1.00 0.00 C ATOM 371 C SER A 50 8.732 1.866 0.582 1.00 0.00 C ATOM 372 O SER A 50 9.864 2.095 0.150 1.00 0.00 O ATOM 373 CB SER A 50 6.360 3.029 0.940 1.00 0.00 C ATOM 374 OG SER A 50 6.806 3.736 2.100 1.00 0.00 O ATOM 0 H SER A 50 6.289 1.250 -0.941 1.00 0.00 H new ATOM 0 HA SER A 50 7.924 3.680 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.628 3.632 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.856 2.111 1.242 1.00 0.00 H new ATOM 0 HG SER A 50 6.038 3.940 2.674 1.00 0.00 H new ATOM 375 N ALA A 51 8.514 0.889 1.486 1.00 0.00 N ATOM 376 CA ALA A 51 9.596 -0.018 1.940 1.00 0.00 C ATOM 377 C ALA A 51 9.050 -1.379 2.488 1.00 0.00 C ATOM 378 O ALA A 51 9.159 -2.399 1.802 1.00 0.00 O ATOM 379 CB ALA A 51 10.504 0.767 2.900 1.00 0.00 C ATOM 0 H ALA A 51 7.607 0.706 1.915 1.00 0.00 H new ATOM 0 HA ALA A 51 10.210 -0.337 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.310 0.121 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.927 1.626 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.920 1.112 3.753 1.00 0.00 H new ATOM 380 N PHE A 52 8.465 -1.409 3.697 1.00 0.00 N ATOM 381 CA PHE A 52 7.897 -2.642 4.320 1.00 0.00 C ATOM 382 C PHE A 52 6.513 -2.355 5.012 1.00 0.00 C ATOM 383 O PHE A 52 6.022 -1.220 5.047 1.00 0.00 O ATOM 384 CB PHE A 52 8.988 -3.257 5.260 1.00 0.00 C ATOM 385 CG PHE A 52 9.238 -2.567 6.618 1.00 0.00 C ATOM 386 CD1 PHE A 52 10.049 -1.432 6.694 1.00 0.00 C ATOM 387 CD2 PHE A 52 8.622 -3.049 7.777 1.00 0.00 C ATOM 388 CE1 PHE A 52 10.238 -0.782 7.912 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.805 -2.396 8.994 1.00 0.00 C ATOM 390 CZ PHE A 52 9.615 -1.265 9.061 1.00 0.00 C ATOM 0 H PHE A 52 8.366 -0.580 4.282 1.00 0.00 H new ATOM 0 HA PHE A 52 7.657 -3.389 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.716 -4.294 5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 52 9.931 -3.273 4.714 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.532 -1.056 5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.001 -3.932 7.729 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.866 0.095 7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.319 -2.766 9.885 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.761 -0.761 10.005 1.00 0.00 H new ATOM 391 N THR A 53 5.870 -3.396 5.568 1.00 0.00 N ATOM 392 CA THR A 53 4.587 -3.234 6.314 1.00 0.00 C ATOM 393 C THR A 53 4.780 -2.918 7.827 1.00 0.00 C ATOM 394 O THR A 53 5.529 -3.579 8.552 1.00 0.00 O ATOM 395 CB THR A 53 3.665 -4.489 6.248 1.00 0.00 C ATOM 396 OG1 THR A 53 4.341 -5.657 6.711 1.00 0.00 O ATOM 397 CG2 THR A 53 3.153 -4.781 4.841 1.00 0.00 C ATOM 0 H THR A 53 6.206 -4.358 5.522 1.00 0.00 H new ATOM 0 HA THR A 53 4.122 -2.390 5.804 1.00 0.00 H new ATOM 0 HB THR A 53 2.819 -4.251 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.737 -6.427 6.659 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.517 -5.666 4.862 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.577 -3.929 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.998 -4.957 4.175 1.00 0.00 H new ATOM 398 N LEU A 54 3.996 -1.944 8.287 1.00 0.00 N ATOM 399 CA LEU A 54 3.894 -1.585 9.727 1.00 0.00 C ATOM 400 C LEU A 54 2.568 -2.246 10.233 1.00 0.00 C ATOM 401 O LEU A 54 2.382 -3.466 10.177 1.00 0.00 O ATOM 402 CB LEU A 54 4.112 -0.026 9.853 1.00 0.00 C ATOM 403 CG LEU A 54 3.027 0.949 9.271 1.00 0.00 C ATOM 404 CD1 LEU A 54 2.309 1.790 10.351 1.00 0.00 C ATOM 405 CD2 LEU A 54 3.601 1.923 8.234 1.00 0.00 C ATOM 0 H LEU A 54 3.407 -1.372 7.682 1.00 0.00 H new ATOM 0 HA LEU A 54 4.658 -1.971 10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.226 0.205 10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.060 0.213 9.371 1.00 0.00 H new ATOM 0 HG LEU A 54 2.307 0.280 8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.574 2.440 9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.806 1.126 11.054 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.040 2.398 10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.807 2.572 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.380 2.529 8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.025 1.361 7.402 1.00 0.00 H new ATOM 406 N TYR A 55 1.665 -1.430 10.743 1.00 0.00 N ATOM 407 CA TYR A 55 0.298 -1.816 11.118 1.00 0.00 C ATOM 408 C TYR A 55 -0.556 -0.547 10.764 1.00 0.00 C ATOM 409 O TYR A 55 -0.930 0.247 11.632 1.00 0.00 O ATOM 410 CB TYR A 55 0.288 -2.313 12.594 1.00 0.00 C ATOM 411 CG TYR A 55 -1.134 -2.613 13.067 1.00 0.00 C ATOM 412 CD1 TYR A 55 -1.849 -3.659 12.480 1.00 0.00 C ATOM 413 CD2 TYR A 55 -1.807 -1.639 13.805 1.00 0.00 C ATOM 414 CE1 TYR A 55 -3.236 -3.685 12.569 1.00 0.00 C ATOM 415 CE2 TYR A 55 -3.195 -1.661 13.885 1.00 0.00 C ATOM 416 CZ TYR A 55 -3.912 -2.686 13.268 1.00 0.00 C ATOM 417 OH TYR A 55 -5.280 -2.677 13.293 1.00 0.00 O ATOM 0 H TYR A 55 1.860 -0.444 10.918 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.132 -2.667 10.590 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.900 -3.210 12.682 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.736 -1.557 13.238 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -1.325 -4.446 11.958 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.249 -0.867 14.315 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.791 -4.481 12.095 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.718 -0.885 14.425 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.592 -1.915 13.825 1.00 0.00 H new ATOM 418 N GLY A 56 -0.799 -0.312 9.463 1.00 0.00 N ATOM 419 CA GLY A 56 -1.499 0.931 9.032 1.00 0.00 C ATOM 420 C GLY A 56 -1.477 1.235 7.526 1.00 0.00 C ATOM 421 O GLY A 56 -1.056 0.425 6.702 1.00 0.00 O ATOM 0 H GLY A 56 -0.534 -0.940 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.539 0.868 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.053 1.775 9.558 1.00 0.00 H new ATOM 422 N VAL A 57 -1.949 2.428 7.167 1.00 0.00 N ATOM 423 CA VAL A 57 -2.146 2.825 5.733 1.00 0.00 C ATOM 424 C VAL A 57 -0.784 3.209 5.062 1.00 0.00 C ATOM 425 O VAL A 57 0.097 3.843 5.652 1.00 0.00 O ATOM 426 CB VAL A 57 -3.186 3.987 5.596 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.709 4.185 4.151 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.460 3.775 6.419 1.00 0.00 C ATOM 0 H VAL A 57 -2.209 3.153 7.836 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.549 1.960 5.207 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.611 4.844 5.946 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.425 5.006 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.874 4.417 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.197 3.271 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.132 4.621 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.954 2.859 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.202 3.695 7.475 1.00 0.00 H new ATOM 429 N TYR A 58 -0.652 2.826 3.793 1.00 0.00 N ATOM 430 CA TYR A 58 0.604 2.953 3.026 1.00 0.00 C ATOM 431 C TYR A 58 0.464 3.936 1.840 1.00 0.00 C ATOM 432 O TYR A 58 -0.380 3.767 0.963 1.00 0.00 O ATOM 433 CB TYR A 58 0.955 1.528 2.514 1.00 0.00 C ATOM 434 CG TYR A 58 1.140 0.437 3.585 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.042 0.617 4.637 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.291 -0.672 3.589 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.125 -0.328 5.654 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.406 -1.636 4.590 1.00 0.00 C ATOM 439 CZ TYR A 58 1.305 -1.450 5.633 1.00 0.00 C ATOM 440 OH TYR A 58 1.312 -2.321 6.687 1.00 0.00 O ATOM 0 H TYR A 58 -1.415 2.414 3.256 1.00 0.00 H new ATOM 0 HA TYR A 58 1.392 3.358 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.167 1.207 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.874 1.592 1.931 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.676 1.491 4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.455 -0.783 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.828 -0.190 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.203 -2.527 4.555 1.00 0.00 H new ATOM 0 HH TYR A 58 0.681 -3.050 6.513 1.00 0.00 H new ATOM 441 N TYR A 59 1.350 4.925 1.756 1.00 0.00 N ATOM 442 CA TYR A 59 1.391 5.887 0.602 1.00 0.00 C ATOM 443 C TYR A 59 1.628 5.211 -0.805 1.00 0.00 C ATOM 444 O TYR A 59 0.986 5.569 -1.792 1.00 0.00 O ATOM 445 CB TYR A 59 2.430 6.979 0.980 1.00 0.00 C ATOM 446 CG TYR A 59 2.175 7.795 2.269 1.00 0.00 C ATOM 447 CD1 TYR A 59 0.983 8.503 2.437 1.00 0.00 C ATOM 448 CD2 TYR A 59 3.133 7.828 3.285 1.00 0.00 C ATOM 449 CE1 TYR A 59 0.757 9.238 3.599 1.00 0.00 C ATOM 450 CE2 TYR A 59 2.917 8.589 4.431 1.00 0.00 C ATOM 451 CZ TYR A 59 1.727 9.291 4.590 1.00 0.00 C ATOM 452 OH TYR A 59 1.528 10.061 5.706 1.00 0.00 O ATOM 0 H TYR A 59 2.062 5.101 2.465 1.00 0.00 H new ATOM 0 HA TYR A 59 0.411 6.340 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.404 6.498 1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.499 7.679 0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.232 8.481 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.046 7.260 3.181 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.175 9.768 3.729 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.676 8.634 5.198 1.00 0.00 H new ATOM 0 HH TYR A 59 2.304 9.984 6.299 1.00 0.00 H new ATOM 453 N LYS A 60 2.526 4.219 -0.867 1.00 0.00 N ATOM 454 CA LYS A 60 2.760 3.357 -2.051 1.00 0.00 C ATOM 455 C LYS A 60 3.031 1.958 -1.415 1.00 0.00 C ATOM 456 O LYS A 60 4.010 1.788 -0.679 1.00 0.00 O ATOM 457 CB LYS A 60 3.944 3.819 -2.937 1.00 0.00 C ATOM 458 CG LYS A 60 3.731 5.147 -3.694 1.00 0.00 C ATOM 459 CD LYS A 60 4.875 5.436 -4.690 1.00 0.00 C ATOM 460 CE LYS A 60 4.960 6.898 -5.151 1.00 0.00 C ATOM 461 NZ LYS A 60 3.830 7.254 -6.031 1.00 0.00 N ATOM 0 H LYS A 60 3.129 3.981 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 60 1.914 3.376 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.829 3.918 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.157 3.036 -3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.783 5.110 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.659 5.965 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.822 5.158 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.748 4.799 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.966 7.555 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.899 7.060 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.918 8.248 -6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.839 6.643 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.935 7.123 -5.517 1.00 0.00 H new ATOM 462 N CYS A 61 2.149 0.964 -1.614 1.00 0.00 N ATOM 463 CA CYS A 61 2.304 -0.382 -0.987 1.00 0.00 C ATOM 464 C CYS A 61 3.710 -1.085 -1.200 1.00 0.00 C ATOM 465 O CYS A 61 4.318 -0.908 -2.263 1.00 0.00 O ATOM 466 CB CYS A 61 1.146 -1.251 -1.514 1.00 0.00 C ATOM 467 SG CYS A 61 -0.406 -0.780 -0.729 1.00 0.00 S ATOM 0 H CYS A 61 1.320 1.056 -2.201 1.00 0.00 H new ATOM 0 HA CYS A 61 2.267 -0.255 0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.062 -1.139 -2.595 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.355 -2.303 -1.318 1.00 0.00 H new ATOM 468 N PRO A 62 4.276 -1.852 -0.218 1.00 0.00 N ATOM 469 CA PRO A 62 5.647 -2.428 -0.347 1.00 0.00 C ATOM 470 C PRO A 62 5.833 -3.551 -1.425 1.00 0.00 C ATOM 471 O PRO A 62 4.902 -3.921 -2.146 1.00 0.00 O ATOM 472 CB PRO A 62 5.893 -2.878 1.111 1.00 0.00 C ATOM 473 CG PRO A 62 4.518 -3.225 1.678 1.00 0.00 C ATOM 474 CD PRO A 62 3.603 -2.177 1.060 1.00 0.00 C ATOM 0 HA PRO A 62 6.377 -1.719 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.559 -3.740 1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.366 -2.085 1.690 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.214 -4.235 1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.508 -3.174 2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.597 -2.565 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.507 -1.299 1.699 1.00 0.00 H new ATOM 475 N CYS A 63 7.062 -4.074 -1.559 1.00 0.00 N ATOM 476 CA CYS A 63 7.344 -5.221 -2.463 1.00 0.00 C ATOM 477 C CYS A 63 6.811 -6.587 -1.894 1.00 0.00 C ATOM 478 O CYS A 63 6.755 -6.801 -0.677 1.00 0.00 O ATOM 479 CB CYS A 63 8.875 -5.251 -2.671 1.00 0.00 C ATOM 480 SG CYS A 63 9.529 -3.668 -3.253 1.00 0.00 S ATOM 0 H CYS A 63 7.880 -3.728 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 63 6.820 -5.089 -3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.360 -5.517 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.125 -6.030 -3.391 1.00 0.00 H new ATOM 481 N GLU A 64 6.418 -7.521 -2.776 1.00 0.00 N ATOM 482 CA GLU A 64 5.951 -8.876 -2.358 1.00 0.00 C ATOM 483 C GLU A 64 7.077 -9.804 -1.744 1.00 0.00 C ATOM 484 O GLU A 64 8.259 -9.447 -1.698 1.00 0.00 O ATOM 485 CB GLU A 64 5.196 -9.464 -3.595 1.00 0.00 C ATOM 486 CG GLU A 64 5.984 -9.820 -4.891 1.00 0.00 C ATOM 487 CD GLU A 64 7.035 -10.920 -4.760 1.00 0.00 C ATOM 488 OE1 GLU A 64 6.496 -12.129 -4.447 1.00 0.00 O ATOM 489 OE2 GLU A 64 8.238 -10.720 -4.860 1.00 0.00 O ATOM 0 H GLU A 64 6.410 -7.373 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 64 5.275 -8.808 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.689 -10.370 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.422 -8.749 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.268 -10.120 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.476 -8.917 -5.252 1.00 0.00 H new ATOM 490 N ARG A 65 6.723 -11.020 -1.275 1.00 0.00 N ATOM 491 CA ARG A 65 7.717 -11.985 -0.711 1.00 0.00 C ATOM 492 C ARG A 65 8.752 -12.502 -1.785 1.00 0.00 C ATOM 493 O ARG A 65 8.435 -13.189 -2.763 1.00 0.00 O ATOM 494 CB ARG A 65 6.964 -13.128 0.016 1.00 0.00 C ATOM 495 CG ARG A 65 6.165 -14.123 -0.864 1.00 0.00 C ATOM 496 CD ARG A 65 6.729 -15.556 -0.929 1.00 0.00 C ATOM 497 NE ARG A 65 6.534 -16.282 0.359 1.00 0.00 N ATOM 498 CZ ARG A 65 7.499 -16.781 1.125 1.00 0.00 C ATOM 499 NH1 ARG A 65 8.776 -16.700 0.857 1.00 0.00 N ATOM 500 NH2 ARG A 65 7.149 -17.388 2.216 1.00 0.00 N ATOM 0 H ARG A 65 5.763 -11.364 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 65 8.333 -11.463 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.692 -13.698 0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.273 -12.677 0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.142 -14.171 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.115 -13.725 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.239 -16.104 -1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.792 -15.519 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 65 5.574 -16.407 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.090 -16.228 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.458 -17.109 1.496 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.162 -17.469 2.460 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.861 -17.784 2.830 1.00 0.00 H new ATOM 501 N GLY A 66 10.002 -12.107 -1.563 1.00 0.00 N ATOM 502 CA GLY A 66 11.133 -12.343 -2.515 1.00 0.00 C ATOM 503 C GLY A 66 11.887 -11.077 -3.007 1.00 0.00 C ATOM 504 O GLY A 66 13.110 -11.103 -3.156 1.00 0.00 O ATOM 0 H GLY A 66 10.282 -11.609 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.853 -13.006 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.744 -12.871 -3.386 1.00 0.00 H new ATOM 505 N LEU A 67 11.162 -9.983 -3.272 1.00 0.00 N ATOM 506 CA LEU A 67 11.728 -8.714 -3.807 1.00 0.00 C ATOM 507 C LEU A 67 11.981 -7.646 -2.689 1.00 0.00 C ATOM 508 O LEU A 67 11.313 -7.594 -1.652 1.00 0.00 O ATOM 509 CB LEU A 67 10.723 -8.201 -4.883 1.00 0.00 C ATOM 510 CG LEU A 67 10.951 -8.658 -6.349 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.137 -10.169 -6.558 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.756 -8.203 -7.190 1.00 0.00 C ATOM 0 H LEU A 67 10.154 -9.942 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 67 12.711 -8.894 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.722 -8.513 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.736 -7.111 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 67 11.893 -8.201 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.288 -10.374 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.006 -10.510 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.249 -10.696 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.899 -8.516 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.843 -8.652 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.674 -7.117 -7.147 1.00 0.00 H new ATOM 513 N THR A 68 12.969 -6.769 -2.923 1.00 0.00 N ATOM 514 CA THR A 68 13.365 -5.691 -1.974 1.00 0.00 C ATOM 515 C THR A 68 13.003 -4.276 -2.534 1.00 0.00 C ATOM 516 O THR A 68 13.043 -4.031 -3.740 1.00 0.00 O ATOM 517 CB THR A 68 14.892 -5.876 -1.667 1.00 0.00 C ATOM 518 OG1 THR A 68 15.110 -5.745 -0.267 1.00 0.00 O ATOM 519 CG2 THR A 68 15.838 -4.871 -2.341 1.00 0.00 C ATOM 0 H THR A 68 13.525 -6.779 -3.778 1.00 0.00 H new ATOM 0 HA THR A 68 12.808 -5.765 -1.040 1.00 0.00 H new ATOM 0 HB THR A 68 15.125 -6.863 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 68 16.063 -5.862 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.867 -5.094 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.735 -4.944 -3.424 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.584 -3.861 -2.020 1.00 0.00 H new ATOM 520 N CYS A 69 12.757 -3.330 -1.630 1.00 0.00 N ATOM 521 CA CYS A 69 12.503 -1.913 -1.996 1.00 0.00 C ATOM 522 C CYS A 69 13.825 -1.069 -2.030 1.00 0.00 C ATOM 523 O CYS A 69 14.486 -0.923 -0.996 1.00 0.00 O ATOM 524 CB CYS A 69 11.455 -1.440 -0.974 1.00 0.00 C ATOM 525 SG CYS A 69 10.489 -0.063 -1.608 1.00 0.00 S ATOM 0 H CYS A 69 12.725 -3.509 -0.626 1.00 0.00 H new ATOM 0 HA CYS A 69 12.124 -1.789 -3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.790 -2.267 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.954 -1.142 -0.052 1.00 0.00 H new ATOM 526 N GLU A 70 14.224 -0.506 -3.182 1.00 0.00 N ATOM 527 CA GLU A 70 15.508 0.251 -3.307 1.00 0.00 C ATOM 528 C GLU A 70 15.235 1.791 -3.168 1.00 0.00 C ATOM 529 O GLU A 70 14.907 2.472 -4.143 1.00 0.00 O ATOM 530 CB GLU A 70 16.140 -0.202 -4.658 1.00 0.00 C ATOM 531 CG GLU A 70 17.634 0.159 -4.874 1.00 0.00 C ATOM 532 CD GLU A 70 17.909 1.620 -5.211 1.00 0.00 C ATOM 533 OE1 GLU A 70 17.670 1.897 -6.519 1.00 0.00 O ATOM 534 OE2 GLU A 70 18.282 2.453 -4.391 1.00 0.00 O ATOM 0 H GLU A 70 13.685 -0.553 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 70 16.225 0.041 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.034 -1.284 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.561 0.237 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 70 18.187 -0.099 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.028 -0.463 -5.678 1.00 0.00 H new ATOM 625 N PHE A 84 10.398 6.778 -1.029 1.00 0.00 N ATOM 626 CA PHE A 84 9.941 5.783 -2.041 1.00 0.00 C ATOM 627 C PHE A 84 11.146 5.173 -2.825 1.00 0.00 C ATOM 628 O PHE A 84 12.214 5.767 -2.995 1.00 0.00 O ATOM 629 CB PHE A 84 8.895 6.419 -3.001 1.00 0.00 C ATOM 630 CG PHE A 84 7.636 7.009 -2.346 1.00 0.00 C ATOM 631 CD1 PHE A 84 6.734 6.176 -1.680 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.430 8.391 -2.339 1.00 0.00 C ATOM 633 CE1 PHE A 84 5.649 6.720 -1.001 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.334 8.932 -1.675 1.00 0.00 C ATOM 635 CZ PHE A 84 5.445 8.099 -1.002 1.00 0.00 C ATOM 0 HA PHE A 84 9.455 4.962 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.388 7.209 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.583 5.660 -3.718 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.880 5.106 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.124 9.041 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 84 4.964 6.074 -0.473 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.173 10.000 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.598 8.521 -0.481 1.00 0.00 H new ATOM 636 N GLY A 85 10.946 3.952 -3.312 1.00 0.00 N ATOM 637 CA GLY A 85 11.999 3.168 -3.995 1.00 0.00 C ATOM 638 C GLY A 85 11.479 2.135 -5.000 1.00 0.00 C ATOM 639 O GLY A 85 10.293 1.811 -5.038 1.00 0.00 O ATOM 0 H GLY A 85 10.051 3.467 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.666 3.856 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.596 2.653 -3.242 1.00 0.00 H new ATOM 640 N ILE A 86 12.375 1.573 -5.815 1.00 0.00 N ATOM 641 CA ILE A 86 11.958 0.615 -6.883 1.00 0.00 C ATOM 642 C ILE A 86 12.160 -0.855 -6.378 1.00 0.00 C ATOM 643 O ILE A 86 13.215 -1.233 -5.859 1.00 0.00 O ATOM 644 CB ILE A 86 12.688 0.882 -8.249 1.00 0.00 C ATOM 645 CG1 ILE A 86 12.670 2.360 -8.751 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.053 0.007 -9.362 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.285 2.926 -9.123 1.00 0.00 C ATOM 0 H ILE A 86 13.379 1.750 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 86 10.898 0.769 -7.087 1.00 0.00 H new ATOM 0 HB ILE A 86 13.730 0.631 -8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.104 2.992 -7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.319 2.435 -9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 86 12.562 0.195 -10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.154 -1.046 -9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 86 10.997 0.256 -9.463 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.392 3.958 -9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.851 2.328 -9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.632 2.893 -8.251 1.00 0.00 H new ATOM 648 N CYS A 87 11.134 -1.693 -6.571 1.00 0.00 N ATOM 649 CA CYS A 87 11.194 -3.140 -6.258 1.00 0.00 C ATOM 650 C CYS A 87 12.177 -3.947 -7.173 1.00 0.00 C ATOM 651 O CYS A 87 12.073 -3.866 -8.400 1.00 0.00 O ATOM 652 CB CYS A 87 9.750 -3.643 -6.398 1.00 0.00 C ATOM 653 SG CYS A 87 8.720 -3.133 -5.007 1.00 0.00 S ATOM 0 H CYS A 87 10.235 -1.394 -6.949 1.00 0.00 H new ATOM 0 HA CYS A 87 11.594 -3.291 -5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.322 -3.262 -7.325 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.750 -4.731 -6.470 1.00 0.00 H new ATOM 654 N HIS A 88 13.137 -4.701 -6.602 1.00 0.00 N ATOM 655 CA HIS A 88 14.047 -5.579 -7.393 1.00 0.00 C ATOM 656 C HIS A 88 14.368 -6.914 -6.640 1.00 0.00 C ATOM 657 O HIS A 88 14.318 -7.024 -5.411 1.00 0.00 O ATOM 658 CB HIS A 88 15.333 -4.797 -7.759 1.00 0.00 C ATOM 659 CG HIS A 88 15.200 -3.791 -8.904 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.229 -4.173 -10.238 1.00 0.00 N ATOM 661 CD2 HIS A 88 14.943 -2.412 -8.789 1.00 0.00 C ATOM 662 CE1 HIS A 88 14.982 -2.957 -10.823 1.00 0.00 C ATOM 663 NE2 HIS A 88 14.824 -1.846 -10.044 1.00 0.00 N ATOM 0 H HIS A 88 13.309 -4.725 -5.597 1.00 0.00 H new ATOM 0 HA HIS A 88 13.541 -5.866 -8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.676 -4.265 -6.872 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.110 -5.515 -8.021 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.852 -1.875 -7.856 1.00 0.00 H new ATOM 0 HE1 HIS A 88 14.913 -2.878 -11.898 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.664 -0.875 -10.312 1.00 0.00 H new ATOM 664 N ASN A 89 14.792 -7.932 -7.398 1.00 0.00 N ATOM 665 CA ASN A 89 15.037 -9.310 -6.871 1.00 0.00 C ATOM 666 C ASN A 89 16.540 -9.512 -6.464 1.00 0.00 C ATOM 667 O ASN A 89 17.344 -10.172 -7.129 1.00 0.00 O ATOM 668 CB ASN A 89 14.569 -10.253 -8.005 1.00 0.00 C ATOM 669 CG ASN A 89 14.441 -11.743 -7.675 1.00 0.00 C ATOM 670 OD1 ASN A 89 13.360 -12.274 -7.464 1.00 0.00 O ATOM 671 ND2 ASN A 89 15.517 -12.484 -7.642 1.00 0.00 N ATOM 0 H ASN A 89 14.980 -7.840 -8.396 1.00 0.00 H new ATOM 0 HA ASN A 89 14.490 -9.514 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.599 -9.901 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.266 -10.151 -8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.443 -13.482 -7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.431 -12.065 -7.815 1.00 0.00 H new ATOM 672 N VAL A 90 16.872 -8.906 -5.328 1.00 0.00 N ATOM 673 CA VAL A 90 18.265 -8.890 -4.761 1.00 0.00 C ATOM 674 C VAL A 90 18.361 -9.197 -3.218 1.00 0.00 C ATOM 675 O VAL A 90 19.388 -9.711 -2.767 1.00 0.00 O ATOM 676 CB VAL A 90 18.954 -7.544 -5.197 1.00 0.00 C ATOM 677 CG1 VAL A 90 18.407 -6.255 -4.541 1.00 0.00 C ATOM 678 CG2 VAL A 90 20.486 -7.564 -5.009 1.00 0.00 C ATOM 0 H VAL A 90 16.196 -8.402 -4.753 1.00 0.00 H new ATOM 0 HA VAL A 90 18.818 -9.730 -5.181 1.00 0.00 H new ATOM 0 HB VAL A 90 18.696 -7.499 -6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 90 18.958 -5.393 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.350 -6.144 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.527 -6.318 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.904 -6.609 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.721 -7.732 -3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.916 -8.366 -5.609 1.00 0.00 H new