USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : A 1 ASN N :NH3+ -145:sc= 0 (180deg=-0.566) USER MOD Single : A 8 TYR OH : rot -11:sc= 0.555 USER MOD Single : A 12 THR OG1 : rot 180:sc= -2.19! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.726 USER MOD Single : A 34 ASN : amide:sc= -2.78! C(o=-2.8!,f=-5.2!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -5.84! C(o=-5.8!,f=-6!) USER MOD Single : A 43 HIS : no HD1:sc= -16.2! C(o=-16!,f=-16!) USER MOD Single : A 44 SER OG : rot 42:sc= 0.101 USER MOD Single : A 48 ASN : amide:sc= -3.37! C(o=-3.4!,f=-4.4!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.625 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.39) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.236 8.478 -11.682 1.00 0.00 N ATOM 2 CA ASN A 1 14.780 7.960 -10.394 1.00 0.00 C ATOM 3 C ASN A 1 13.636 7.574 -9.453 1.00 0.00 C ATOM 4 O ASN A 1 13.307 8.307 -8.540 1.00 0.00 O ATOM 5 CB ASN A 1 15.588 9.120 -9.810 1.00 0.00 C ATOM 6 CG ASN A 1 16.588 8.581 -8.785 1.00 0.00 C ATOM 7 OD1 ASN A 1 16.534 8.933 -7.623 1.00 0.00 O ATOM 8 ND2 ASN A 1 17.505 7.736 -9.169 1.00 0.00 N ATOM 0 H1 ASN A 1 14.860 8.190 -12.463 1.00 0.00 H new ATOM 0 H2 ASN A 1 13.284 8.090 -11.838 1.00 0.00 H new ATOM 0 H3 ASN A 1 14.185 9.516 -11.645 1.00 0.00 H new ATOM 0 HA ASN A 1 15.390 7.068 -10.533 1.00 0.00 H new ATOM 0 HB2 ASN A 1 16.115 9.647 -10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 1 14.920 9.841 -9.338 1.00 0.00 H new ATOM 0 HD21 ASN A 1 18.177 7.371 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 1 17.550 7.441 -10.144 1.00 0.00 H new ATOM 17 N PRO A 2 13.065 6.430 -9.712 1.00 0.00 N ATOM 18 CA PRO A 2 11.942 5.932 -8.880 1.00 0.00 C ATOM 19 C PRO A 2 12.456 5.458 -7.517 1.00 0.00 C ATOM 20 O PRO A 2 13.250 4.543 -7.426 1.00 0.00 O ATOM 21 CB PRO A 2 11.392 4.759 -9.687 1.00 0.00 C ATOM 22 CG PRO A 2 12.539 4.297 -10.529 1.00 0.00 C ATOM 23 CD PRO A 2 13.408 5.500 -10.792 1.00 0.00 C ATOM 0 HA PRO A 2 11.190 6.694 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.036 3.963 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.548 5.066 -10.304 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.104 3.518 -10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 2 12.182 3.868 -11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 2 14.466 5.239 -10.773 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.204 5.933 -11.771 1.00 0.00 H new ATOM 31 N LEU A 3 12.009 6.073 -6.457 1.00 0.00 N ATOM 32 CA LEU A 3 12.472 5.655 -5.103 1.00 0.00 C ATOM 33 C LEU A 3 11.384 4.837 -4.403 1.00 0.00 C ATOM 34 O LEU A 3 10.352 4.545 -4.974 1.00 0.00 O ATOM 35 CB LEU A 3 12.731 6.960 -4.352 1.00 0.00 C ATOM 36 CG LEU A 3 14.238 7.200 -4.250 1.00 0.00 C ATOM 37 CD1 LEU A 3 14.564 8.615 -4.733 1.00 0.00 C ATOM 38 CD2 LEU A 3 14.681 7.044 -2.794 1.00 0.00 C ATOM 0 H LEU A 3 11.344 6.846 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 3 13.362 5.028 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.254 7.791 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 3 12.291 6.912 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 3 14.764 6.474 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.638 8.786 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.248 8.727 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.038 9.341 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.755 7.215 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.155 7.770 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.449 6.036 -2.449 1.00 0.00 H new ATOM 50 N ILE A 4 11.606 4.464 -3.172 1.00 0.00 N ATOM 51 CA ILE A 4 10.580 3.665 -2.442 1.00 0.00 C ATOM 52 C ILE A 4 9.411 4.559 -2.025 1.00 0.00 C ATOM 53 O ILE A 4 9.596 5.704 -1.666 1.00 0.00 O ATOM 54 CB ILE A 4 11.305 3.114 -1.206 1.00 0.00 C ATOM 55 CG1 ILE A 4 11.960 1.778 -1.559 1.00 0.00 C ATOM 56 CG2 ILE A 4 10.304 2.902 -0.060 1.00 0.00 C ATOM 57 CD1 ILE A 4 12.435 1.085 -0.280 1.00 0.00 C ATOM 0 H ILE A 4 12.451 4.677 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 4 10.165 2.867 -3.058 1.00 0.00 H new ATOM 0 HB ILE A 4 12.065 3.828 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 4 11.250 1.142 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.803 1.941 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.827 2.511 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.835 3.853 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.538 2.192 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 4 12.901 0.133 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 4 13.160 1.720 0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.583 0.908 0.376 1.00 0.00 H new ATOM 69 N PRO A 5 8.242 3.985 -2.065 1.00 0.00 N ATOM 70 CA PRO A 5 7.028 4.718 -1.661 1.00 0.00 C ATOM 71 C PRO A 5 6.919 4.742 -0.135 1.00 0.00 C ATOM 72 O PRO A 5 7.589 4.004 0.559 1.00 0.00 O ATOM 73 CB PRO A 5 5.897 3.901 -2.269 1.00 0.00 C ATOM 74 CG PRO A 5 6.442 2.514 -2.417 1.00 0.00 C ATOM 75 CD PRO A 5 7.947 2.615 -2.492 1.00 0.00 C ATOM 0 HA PRO A 5 7.019 5.757 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.016 3.910 -1.627 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.593 4.308 -3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.142 1.894 -1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.046 2.042 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.427 1.884 -1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.308 2.428 -3.503 1.00 0.00 H new ATOM 83 N ALA A 6 6.079 5.583 0.387 1.00 0.00 N ATOM 84 CA ALA A 6 5.918 5.666 1.865 1.00 0.00 C ATOM 85 C ALA A 6 5.011 4.537 2.365 1.00 0.00 C ATOM 86 O ALA A 6 5.218 3.982 3.425 1.00 0.00 O ATOM 87 CB ALA A 6 5.272 7.027 2.119 1.00 0.00 C ATOM 0 H ALA A 6 5.491 6.223 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 6 6.868 5.563 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.120 7.164 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.923 7.815 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.311 7.075 1.607 1.00 0.00 H new ATOM 93 N ILE A 7 4.006 4.196 1.606 1.00 0.00 N ATOM 94 CA ILE A 7 3.080 3.104 2.030 1.00 0.00 C ATOM 95 C ILE A 7 3.866 1.852 2.430 1.00 0.00 C ATOM 96 O ILE A 7 3.618 1.251 3.456 1.00 0.00 O ATOM 97 CB ILE A 7 2.216 2.814 0.798 1.00 0.00 C ATOM 98 CG1 ILE A 7 1.404 1.537 1.045 1.00 0.00 C ATOM 99 CG2 ILE A 7 3.111 2.625 -0.434 1.00 0.00 C ATOM 100 CD1 ILE A 7 0.906 0.972 -0.285 1.00 0.00 C ATOM 0 H ILE A 7 3.784 4.627 0.708 1.00 0.00 H new ATOM 0 HA ILE A 7 2.484 3.392 2.896 1.00 0.00 H new ATOM 0 HB ILE A 7 1.541 3.652 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.020 0.797 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.558 1.754 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.491 2.419 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.689 3.533 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.790 1.789 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.330 0.065 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.274 1.710 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.758 0.738 -0.923 1.00 0.00 H new ATOM 112 N TYR A 8 4.799 1.449 1.618 1.00 0.00 N ATOM 113 CA TYR A 8 5.592 0.228 1.933 1.00 0.00 C ATOM 114 C TYR A 8 6.142 0.306 3.354 1.00 0.00 C ATOM 115 O TYR A 8 6.235 -0.686 4.048 1.00 0.00 O ATOM 116 CB TYR A 8 6.722 0.218 0.902 1.00 0.00 C ATOM 117 CG TYR A 8 6.198 -0.297 -0.424 1.00 0.00 C ATOM 118 CD1 TYR A 8 4.819 -0.460 -0.625 1.00 0.00 C ATOM 119 CD2 TYR A 8 7.094 -0.610 -1.452 1.00 0.00 C ATOM 120 CE1 TYR A 8 4.341 -0.936 -1.849 1.00 0.00 C ATOM 121 CE2 TYR A 8 6.613 -1.086 -2.678 1.00 0.00 C ATOM 122 CZ TYR A 8 5.238 -1.249 -2.876 1.00 0.00 C ATOM 123 OH TYR A 8 4.766 -1.719 -4.085 1.00 0.00 O ATOM 0 H TYR A 8 5.049 1.914 0.745 1.00 0.00 H new ATOM 0 HA TYR A 8 4.995 -0.683 1.885 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.124 1.224 0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.540 -0.412 1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.126 -0.217 0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.156 -0.485 -1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.279 -1.062 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.305 -1.328 -3.472 1.00 0.00 H new ATOM 0 HH TYR A 8 3.814 -1.937 -4.002 1.00 0.00 H new ATOM 133 N ILE A 9 6.494 1.477 3.801 1.00 0.00 N ATOM 134 CA ILE A 9 7.022 1.602 5.188 1.00 0.00 C ATOM 135 C ILE A 9 5.887 1.358 6.179 1.00 0.00 C ATOM 136 O ILE A 9 4.920 2.092 6.227 1.00 0.00 O ATOM 137 CB ILE A 9 7.549 3.033 5.295 1.00 0.00 C ATOM 138 CG1 ILE A 9 8.773 3.191 4.390 1.00 0.00 C ATOM 139 CG2 ILE A 9 7.946 3.325 6.743 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.359 4.595 4.561 1.00 0.00 C ATOM 0 H ILE A 9 6.440 2.347 3.272 1.00 0.00 H new ATOM 0 HA ILE A 9 7.808 0.880 5.409 1.00 0.00 H new ATOM 0 HB ILE A 9 6.772 3.731 4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.522 2.440 4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.492 3.027 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.322 4.345 6.819 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.076 3.210 7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.724 2.628 7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.231 4.706 3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.609 5.338 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.655 4.742 5.600 1.00 0.00 H new ATOM 152 N GLY A 10 5.987 0.316 6.951 1.00 0.00 N ATOM 153 CA GLY A 10 4.901 0.002 7.916 1.00 0.00 C ATOM 154 C GLY A 10 3.747 -0.621 7.138 1.00 0.00 C ATOM 155 O GLY A 10 2.595 -0.504 7.505 1.00 0.00 O ATOM 0 H GLY A 10 6.774 -0.333 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.259 -0.685 8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.572 0.907 8.427 1.00 0.00 H new ATOM 159 N ALA A 11 4.055 -1.277 6.051 1.00 0.00 N ATOM 160 CA ALA A 11 2.976 -1.904 5.226 1.00 0.00 C ATOM 161 C ALA A 11 3.123 -3.427 5.210 1.00 0.00 C ATOM 162 O ALA A 11 3.803 -4.003 6.034 1.00 0.00 O ATOM 163 CB ALA A 11 3.170 -1.335 3.821 1.00 0.00 C ATOM 0 H ALA A 11 5.003 -1.407 5.698 1.00 0.00 H new ATOM 0 HA ALA A 11 1.984 -1.690 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.414 -1.748 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.073 -0.250 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.162 -1.601 3.455 1.00 0.00 H new ATOM 169 N THR A 12 2.488 -4.087 4.274 1.00 0.00 N ATOM 170 CA THR A 12 2.595 -5.576 4.211 1.00 0.00 C ATOM 171 C THR A 12 2.376 -6.060 2.778 1.00 0.00 C ATOM 172 O THR A 12 1.264 -6.278 2.360 1.00 0.00 O ATOM 173 CB THR A 12 1.479 -6.101 5.119 1.00 0.00 C ATOM 174 OG1 THR A 12 1.860 -5.945 6.478 1.00 0.00 O ATOM 175 CG2 THR A 12 1.228 -7.581 4.821 1.00 0.00 C ATOM 0 H THR A 12 1.903 -3.662 3.555 1.00 0.00 H new ATOM 0 HA THR A 12 3.578 -5.927 4.526 1.00 0.00 H new ATOM 0 HB THR A 12 0.565 -5.537 4.933 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.145 -6.279 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.434 -7.953 5.468 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.931 -7.697 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.140 -8.149 5.004 1.00 0.00 H new ATOM 183 N VAL A 13 3.422 -6.236 2.025 1.00 0.00 N ATOM 184 CA VAL A 13 3.247 -6.710 0.622 1.00 0.00 C ATOM 185 C VAL A 13 3.363 -8.234 0.561 1.00 0.00 C ATOM 186 O VAL A 13 3.759 -8.876 1.513 1.00 0.00 O ATOM 187 CB VAL A 13 4.384 -6.055 -0.167 1.00 0.00 C ATOM 188 CG1 VAL A 13 4.471 -4.568 0.181 1.00 0.00 C ATOM 189 CG2 VAL A 13 5.707 -6.738 0.187 1.00 0.00 C ATOM 0 H VAL A 13 4.386 -6.074 2.315 1.00 0.00 H new ATOM 0 HA VAL A 13 2.269 -6.448 0.219 1.00 0.00 H new ATOM 0 HB VAL A 13 4.188 -6.162 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.282 -4.109 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.530 -4.079 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.663 -4.455 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.518 -6.273 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.897 -6.632 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.650 -7.796 -0.068 1.00 0.00 H new ATOM 199 N GLY A 14 3.022 -8.819 -0.555 1.00 0.00 N ATOM 200 CA GLY A 14 3.116 -10.301 -0.680 1.00 0.00 C ATOM 201 C GLY A 14 4.568 -10.699 -0.946 1.00 0.00 C ATOM 202 O GLY A 14 5.483 -9.983 -0.594 1.00 0.00 O ATOM 0 H GLY A 14 2.682 -8.334 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.759 -10.777 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.478 -10.649 -1.492 1.00 0.00 H new ATOM 206 N PRO A 15 4.728 -11.837 -1.564 1.00 0.00 N ATOM 207 CA PRO A 15 6.081 -12.346 -1.885 1.00 0.00 C ATOM 208 C PRO A 15 6.660 -11.602 -3.093 1.00 0.00 C ATOM 209 O PRO A 15 7.708 -10.991 -3.016 1.00 0.00 O ATOM 210 CB PRO A 15 5.839 -13.814 -2.223 1.00 0.00 C ATOM 211 CG PRO A 15 4.412 -13.884 -2.673 1.00 0.00 C ATOM 212 CD PRO A 15 3.671 -12.748 -2.013 1.00 0.00 C ATOM 0 HA PRO A 15 6.793 -12.210 -1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.516 -14.154 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.010 -14.451 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.348 -13.804 -3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.970 -14.841 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.993 -12.257 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.067 -13.100 -1.176 1.00 0.00 H new ATOM 220 N SER A 16 5.985 -11.653 -4.209 1.00 0.00 N ATOM 221 CA SER A 16 6.494 -10.955 -5.425 1.00 0.00 C ATOM 222 C SER A 16 6.787 -9.484 -5.115 1.00 0.00 C ATOM 223 O SER A 16 7.856 -8.980 -5.406 1.00 0.00 O ATOM 224 CB SER A 16 5.365 -11.071 -6.448 1.00 0.00 C ATOM 225 OG SER A 16 5.606 -10.168 -7.518 1.00 0.00 O ATOM 0 H SER A 16 5.102 -12.148 -4.332 1.00 0.00 H new ATOM 0 HA SER A 16 7.424 -11.391 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.304 -12.092 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.408 -10.848 -5.977 1.00 0.00 H new ATOM 0 HG SER A 16 4.884 -10.241 -8.177 1.00 0.00 H new ATOM 231 N VAL A 17 5.849 -8.790 -4.531 1.00 0.00 N ATOM 232 CA VAL A 17 6.081 -7.352 -4.211 1.00 0.00 C ATOM 233 C VAL A 17 7.278 -7.209 -3.270 1.00 0.00 C ATOM 234 O VAL A 17 8.148 -6.390 -3.480 1.00 0.00 O ATOM 235 CB VAL A 17 4.798 -6.881 -3.527 1.00 0.00 C ATOM 236 CG1 VAL A 17 4.853 -5.367 -3.325 1.00 0.00 C ATOM 237 CG2 VAL A 17 3.597 -7.234 -4.409 1.00 0.00 C ATOM 0 H VAL A 17 4.935 -9.154 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 17 6.304 -6.762 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 17 4.699 -7.372 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.938 -5.032 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.710 -5.114 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.950 -4.874 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.679 -6.900 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.698 -6.740 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.558 -8.313 -4.555 1.00 0.00 H new ATOM 247 N TRP A 18 7.337 -8.001 -2.237 1.00 0.00 N ATOM 248 CA TRP A 18 8.491 -7.900 -1.299 1.00 0.00 C ATOM 249 C TRP A 18 9.797 -7.912 -2.093 1.00 0.00 C ATOM 250 O TRP A 18 10.531 -6.942 -2.123 1.00 0.00 O ATOM 251 CB TRP A 18 8.397 -9.140 -0.411 1.00 0.00 C ATOM 252 CG TRP A 18 9.314 -8.980 0.757 1.00 0.00 C ATOM 253 CD1 TRP A 18 9.330 -7.912 1.582 1.00 0.00 C ATOM 254 CD2 TRP A 18 10.345 -9.889 1.241 1.00 0.00 C ATOM 255 NE1 TRP A 18 10.302 -8.107 2.548 1.00 0.00 N ATOM 256 CE2 TRP A 18 10.956 -9.311 2.379 1.00 0.00 C ATOM 257 CE3 TRP A 18 10.803 -11.146 0.809 1.00 0.00 C ATOM 258 CZ2 TRP A 18 11.986 -9.956 3.065 1.00 0.00 C ATOM 259 CZ3 TRP A 18 11.841 -11.799 1.496 1.00 0.00 C ATOM 260 CH2 TRP A 18 12.430 -11.205 2.621 1.00 0.00 C ATOM 0 H TRP A 18 6.642 -8.709 -2.002 1.00 0.00 H new ATOM 0 HA TRP A 18 8.472 -6.982 -0.712 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.372 -9.279 -0.067 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.666 -10.030 -0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.689 -7.046 1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 18 10.510 -7.442 3.293 1.00 0.00 H new ATOM 0 HE3 TRP A 18 10.355 -11.613 -0.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.436 -9.494 3.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 12.187 -12.764 1.155 1.00 0.00 H new ATOM 0 HH2 TRP A 18 13.227 -11.712 3.145 1.00 0.00 H new ATOM 271 N ALA A 19 10.088 -9.005 -2.739 1.00 0.00 N ATOM 272 CA ALA A 19 11.342 -9.095 -3.540 1.00 0.00 C ATOM 273 C ALA A 19 11.571 -7.799 -4.319 1.00 0.00 C ATOM 274 O ALA A 19 12.676 -7.304 -4.406 1.00 0.00 O ATOM 275 CB ALA A 19 11.116 -10.264 -4.498 1.00 0.00 C ATOM 0 H ALA A 19 9.509 -9.845 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 19 12.221 -9.245 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.998 -10.396 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.938 -11.174 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.251 -10.056 -5.128 1.00 0.00 H new ATOM 281 N TYR A 20 10.535 -7.244 -4.885 1.00 0.00 N ATOM 282 CA TYR A 20 10.700 -5.975 -5.654 1.00 0.00 C ATOM 283 C TYR A 20 11.262 -4.884 -4.742 1.00 0.00 C ATOM 284 O TYR A 20 12.346 -4.374 -4.954 1.00 0.00 O ATOM 285 CB TYR A 20 9.291 -5.606 -6.119 1.00 0.00 C ATOM 286 CG TYR A 20 9.352 -4.360 -6.970 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.425 -3.101 -6.361 1.00 0.00 C ATOM 288 CD2 TYR A 20 9.332 -4.463 -8.366 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.480 -1.945 -7.149 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.386 -3.306 -9.153 1.00 0.00 C ATOM 291 CZ TYR A 20 9.460 -2.047 -8.544 1.00 0.00 C ATOM 292 OH TYR A 20 9.515 -0.907 -9.321 1.00 0.00 O ATOM 0 H TYR A 20 9.584 -7.611 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 20 11.389 -6.084 -6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.858 -6.428 -6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.644 -5.440 -5.258 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.439 -3.022 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.275 -5.434 -8.836 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.538 -0.974 -6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.371 -3.385 -10.230 1.00 0.00 H new ATOM 0 HH TYR A 20 9.493 -1.156 -10.269 1.00 0.00 H new ATOM 302 N LEU A 21 10.532 -4.528 -3.723 1.00 0.00 N ATOM 303 CA LEU A 21 11.017 -3.477 -2.788 1.00 0.00 C ATOM 304 C LEU A 21 12.493 -3.714 -2.462 1.00 0.00 C ATOM 305 O LEU A 21 13.318 -2.834 -2.606 1.00 0.00 O ATOM 306 CB LEU A 21 10.154 -3.638 -1.538 1.00 0.00 C ATOM 307 CG LEU A 21 10.161 -2.337 -0.736 1.00 0.00 C ATOM 308 CD1 LEU A 21 9.397 -2.541 0.573 1.00 0.00 C ATOM 309 CD2 LEU A 21 11.604 -1.937 -0.426 1.00 0.00 C ATOM 0 H LEU A 21 9.618 -4.921 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 21 10.940 -2.473 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.133 -3.897 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.533 -4.456 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 21 9.682 -1.549 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.402 -1.613 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.368 -2.827 0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.876 -3.329 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.609 -1.009 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.083 -2.725 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.150 -1.792 -1.358 1.00 0.00 H new ATOM 321 N VAL A 22 12.835 -4.898 -2.031 1.00 0.00 N ATOM 322 CA VAL A 22 14.261 -5.187 -1.707 1.00 0.00 C ATOM 323 C VAL A 22 15.147 -4.808 -2.891 1.00 0.00 C ATOM 324 O VAL A 22 16.198 -4.220 -2.733 1.00 0.00 O ATOM 325 CB VAL A 22 14.314 -6.694 -1.455 1.00 0.00 C ATOM 326 CG1 VAL A 22 15.771 -7.159 -1.442 1.00 0.00 C ATOM 327 CG2 VAL A 22 13.669 -7.006 -0.103 1.00 0.00 C ATOM 0 H VAL A 22 12.190 -5.676 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 22 14.616 -4.622 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 22 13.774 -7.214 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.808 -8.233 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.233 -6.936 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.312 -6.640 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.706 -8.080 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.210 -6.486 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.631 -6.675 -0.110 1.00 0.00 H new ATOM 337 N ALA A 23 14.724 -5.133 -4.079 1.00 0.00 N ATOM 338 CA ALA A 23 15.532 -4.782 -5.279 1.00 0.00 C ATOM 339 C ALA A 23 15.896 -3.298 -5.228 1.00 0.00 C ATOM 340 O ALA A 23 17.025 -2.915 -5.464 1.00 0.00 O ATOM 341 CB ALA A 23 14.621 -5.074 -6.471 1.00 0.00 C ATOM 0 H ALA A 23 13.853 -5.627 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 23 16.464 -5.344 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.147 -4.840 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.344 -6.128 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.721 -4.463 -6.400 1.00 0.00 H new ATOM 347 N LEU A 24 14.946 -2.463 -4.909 1.00 0.00 N ATOM 348 CA LEU A 24 15.228 -1.007 -4.829 1.00 0.00 C ATOM 349 C LEU A 24 16.079 -0.714 -3.590 1.00 0.00 C ATOM 350 O LEU A 24 16.830 0.239 -3.547 1.00 0.00 O ATOM 351 CB LEU A 24 13.853 -0.360 -4.700 1.00 0.00 C ATOM 352 CG LEU A 24 13.824 0.949 -5.489 1.00 0.00 C ATOM 353 CD1 LEU A 24 13.868 0.642 -6.987 1.00 0.00 C ATOM 354 CD2 LEU A 24 12.538 1.711 -5.164 1.00 0.00 C ATOM 0 H LEU A 24 13.984 -2.730 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 24 15.778 -0.632 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.085 -1.038 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.627 -0.169 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 24 14.687 1.557 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.847 1.575 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.783 0.098 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.005 0.034 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.516 2.645 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.676 1.103 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.504 1.929 -4.097 1.00 0.00 H new ATOM 366 N VAL A 25 15.959 -1.535 -2.585 1.00 0.00 N ATOM 367 CA VAL A 25 16.751 -1.322 -1.335 1.00 0.00 C ATOM 368 C VAL A 25 17.573 -2.573 -1.007 1.00 0.00 C ATOM 369 O VAL A 25 18.696 -2.727 -1.443 1.00 0.00 O ATOM 370 CB VAL A 25 15.724 -1.066 -0.222 1.00 0.00 C ATOM 371 CG1 VAL A 25 15.438 0.428 -0.115 1.00 0.00 C ATOM 372 CG2 VAL A 25 14.416 -1.809 -0.520 1.00 0.00 C ATOM 0 H VAL A 25 15.344 -2.349 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 25 17.447 -0.490 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 25 16.136 -1.430 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.709 0.603 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 25 16.361 0.959 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.040 0.791 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.699 -1.617 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.007 -1.459 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.612 -2.879 -0.583 1.00 0.00 H new ATOM 382 N GLY A 26 17.014 -3.462 -0.232 1.00 0.00 N ATOM 383 CA GLY A 26 17.743 -4.703 0.146 1.00 0.00 C ATOM 384 C GLY A 26 16.987 -5.378 1.287 1.00 0.00 C ATOM 385 O GLY A 26 15.884 -4.994 1.621 1.00 0.00 O ATOM 0 H GLY A 26 16.075 -3.380 0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.817 -5.375 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.761 -4.466 0.454 1.00 0.00 H new ATOM 389 N ALA A 27 17.558 -6.380 1.890 1.00 0.00 N ATOM 390 CA ALA A 27 16.852 -7.062 3.004 1.00 0.00 C ATOM 391 C ALA A 27 16.912 -6.210 4.270 1.00 0.00 C ATOM 392 O ALA A 27 15.904 -5.923 4.884 1.00 0.00 O ATOM 393 CB ALA A 27 17.598 -8.381 3.202 1.00 0.00 C ATOM 0 H ALA A 27 18.479 -6.754 1.661 1.00 0.00 H new ATOM 0 HA ALA A 27 15.797 -7.224 2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 27 17.134 -8.944 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 27 17.555 -8.965 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.639 -8.176 3.453 1.00 0.00 H new ATOM 399 N ALA A 28 18.081 -5.803 4.663 1.00 0.00 N ATOM 400 CA ALA A 28 18.201 -4.967 5.889 1.00 0.00 C ATOM 401 C ALA A 28 17.375 -3.689 5.732 1.00 0.00 C ATOM 402 O ALA A 28 16.774 -3.206 6.671 1.00 0.00 O ATOM 403 CB ALA A 28 19.688 -4.639 6.009 1.00 0.00 C ATOM 0 H ALA A 28 18.961 -6.011 4.190 1.00 0.00 H new ATOM 0 HA ALA A 28 17.831 -5.479 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.855 -4.023 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 28 20.258 -5.563 6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 28 20.014 -4.096 5.122 1.00 0.00 H new ATOM 409 N ALA A 29 17.336 -3.141 4.549 1.00 0.00 N ATOM 410 CA ALA A 29 16.543 -1.900 4.333 1.00 0.00 C ATOM 411 C ALA A 29 15.052 -2.215 4.435 1.00 0.00 C ATOM 412 O ALA A 29 14.313 -1.557 5.139 1.00 0.00 O ATOM 413 CB ALA A 29 16.902 -1.436 2.922 1.00 0.00 C ATOM 0 H ALA A 29 17.818 -3.499 3.724 1.00 0.00 H new ATOM 0 HA ALA A 29 16.761 -1.132 5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 29 16.355 -0.523 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.973 -1.242 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 29 16.635 -2.212 2.205 1.00 0.00 H new ATOM 419 N VAL A 30 14.607 -3.220 3.738 1.00 0.00 N ATOM 420 CA VAL A 30 13.163 -3.583 3.795 1.00 0.00 C ATOM 421 C VAL A 30 12.778 -4.006 5.217 1.00 0.00 C ATOM 422 O VAL A 30 11.624 -3.966 5.593 1.00 0.00 O ATOM 423 CB VAL A 30 13.007 -4.753 2.824 1.00 0.00 C ATOM 424 CG1 VAL A 30 11.676 -5.461 3.085 1.00 0.00 C ATOM 425 CG2 VAL A 30 13.027 -4.226 1.388 1.00 0.00 C ATOM 0 H VAL A 30 15.179 -3.807 3.131 1.00 0.00 H new ATOM 0 HA VAL A 30 12.517 -2.746 3.528 1.00 0.00 H new ATOM 0 HB VAL A 30 13.827 -5.456 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.566 -6.295 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.657 -5.835 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.856 -4.758 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.916 -5.059 0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.206 -3.523 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.974 -3.720 1.199 1.00 0.00 H new ATOM 435 N THR A 31 13.734 -4.411 6.011 1.00 0.00 N ATOM 436 CA THR A 31 13.409 -4.833 7.404 1.00 0.00 C ATOM 437 C THR A 31 13.239 -3.604 8.301 1.00 0.00 C ATOM 438 O THR A 31 12.353 -3.548 9.131 1.00 0.00 O ATOM 439 CB THR A 31 14.606 -5.670 7.857 1.00 0.00 C ATOM 440 OG1 THR A 31 14.906 -6.638 6.863 1.00 0.00 O ATOM 441 CG2 THR A 31 14.268 -6.376 9.171 1.00 0.00 C ATOM 0 H THR A 31 14.720 -4.468 5.757 1.00 0.00 H new ATOM 0 HA THR A 31 12.478 -5.397 7.458 1.00 0.00 H new ATOM 0 HB THR A 31 15.469 -5.021 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.471 -6.233 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 31 15.121 -6.972 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.035 -5.633 9.934 1.00 0.00 H new ATOM 0 HG23 THR A 31 13.406 -7.026 9.023 1.00 0.00 H new ATOM 449 N ALA A 32 14.074 -2.615 8.136 1.00 0.00 N ATOM 450 CA ALA A 32 13.951 -1.390 8.978 1.00 0.00 C ATOM 451 C ALA A 32 12.764 -0.547 8.504 1.00 0.00 C ATOM 452 O ALA A 32 12.280 0.315 9.209 1.00 0.00 O ATOM 453 CB ALA A 32 15.265 -0.634 8.777 1.00 0.00 C ATOM 0 H ALA A 32 14.835 -2.601 7.456 1.00 0.00 H new ATOM 0 HA ALA A 32 13.777 -1.624 10.028 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.251 0.283 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.098 -1.260 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.384 -0.385 7.722 1.00 0.00 H new ATOM 459 N ALA A 33 12.291 -0.795 7.312 1.00 0.00 N ATOM 460 CA ALA A 33 11.133 -0.014 6.790 1.00 0.00 C ATOM 461 C ALA A 33 9.824 -0.711 7.164 1.00 0.00 C ATOM 462 O ALA A 33 8.813 -0.552 6.511 1.00 0.00 O ATOM 463 CB ALA A 33 11.319 0.003 5.273 1.00 0.00 C ATOM 0 H ALA A 33 12.657 -1.505 6.677 1.00 0.00 H new ATOM 0 HA ALA A 33 11.089 0.993 7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.504 0.561 4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.268 0.479 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.318 -1.019 4.895 1.00 0.00 H new ATOM 469 N ASN A 34 9.839 -1.486 8.213 1.00 0.00 N ATOM 470 CA ASN A 34 8.602 -2.200 8.640 1.00 0.00 C ATOM 471 C ASN A 34 7.863 -2.765 7.421 1.00 0.00 C ATOM 472 O ASN A 34 6.769 -2.345 7.084 1.00 0.00 O ATOM 473 CB ASN A 34 7.759 -1.144 9.353 1.00 0.00 C ATOM 474 CG ASN A 34 6.644 -1.830 10.145 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.451 -3.024 10.034 1.00 0.00 O ATOM 476 ND2 ASN A 34 5.896 -1.120 10.945 1.00 0.00 N ATOM 0 H ASN A 34 10.659 -1.656 8.796 1.00 0.00 H new ATOM 0 HA ASN A 34 8.818 -3.048 9.290 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.385 -0.555 10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.331 -0.453 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.150 -1.568 11.477 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.058 -0.117 11.038 1.00 0.00 H new ATOM 483 N ILE A 35 8.454 -3.725 6.764 1.00 0.00 N ATOM 484 CA ILE A 35 7.800 -4.337 5.573 1.00 0.00 C ATOM 485 C ILE A 35 7.366 -5.767 5.902 1.00 0.00 C ATOM 486 O ILE A 35 8.183 -6.640 6.111 1.00 0.00 O ATOM 487 CB ILE A 35 8.872 -4.341 4.486 1.00 0.00 C ATOM 488 CG1 ILE A 35 9.522 -2.958 4.404 1.00 0.00 C ATOM 489 CG2 ILE A 35 8.233 -4.683 3.139 1.00 0.00 C ATOM 490 CD1 ILE A 35 8.514 -1.952 3.847 1.00 0.00 C ATOM 0 H ILE A 35 9.366 -4.114 7.002 1.00 0.00 H new ATOM 0 HA ILE A 35 6.910 -3.791 5.259 1.00 0.00 H new ATOM 0 HB ILE A 35 9.630 -5.086 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.858 -2.643 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.404 -2.997 3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.999 -4.686 2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.770 -5.668 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.474 -3.939 2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.977 -0.967 3.789 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.200 -2.265 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.645 -1.906 4.504 1.00 0.00 H new ATOM 502 N ARG A 36 6.086 -6.011 5.955 1.00 0.00 N ATOM 503 CA ARG A 36 5.606 -7.385 6.276 1.00 0.00 C ATOM 504 C ARG A 36 5.260 -8.140 4.991 1.00 0.00 C ATOM 505 O ARG A 36 4.688 -7.591 4.070 1.00 0.00 O ATOM 506 CB ARG A 36 4.356 -7.177 7.130 1.00 0.00 C ATOM 507 CG ARG A 36 4.742 -7.179 8.610 1.00 0.00 C ATOM 508 CD ARG A 36 3.745 -8.032 9.397 1.00 0.00 C ATOM 509 NE ARG A 36 4.249 -8.016 10.798 1.00 0.00 N ATOM 510 CZ ARG A 36 3.538 -8.552 11.753 1.00 0.00 C ATOM 511 NH1 ARG A 36 2.295 -8.190 11.921 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.070 -9.448 12.538 1.00 0.00 N ATOM 0 H ARG A 36 5.353 -5.321 5.791 1.00 0.00 H new ATOM 0 HA ARG A 36 6.361 -7.975 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.878 -6.233 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.632 -7.967 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.751 -7.573 8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.749 -6.160 8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.738 -7.620 9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.699 -9.048 9.005 1.00 0.00 H new ATOM 0 HE ARG A 36 5.149 -7.587 11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.880 -7.489 11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.738 -8.608 12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.041 -9.730 12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.515 -9.867 13.284 1.00 0.00 H new ATOM 526 N ARG A 37 5.602 -9.397 4.922 1.00 0.00 N ATOM 527 CA ARG A 37 5.291 -10.186 3.698 1.00 0.00 C ATOM 528 C ARG A 37 3.909 -10.830 3.826 1.00 0.00 C ATOM 529 O ARG A 37 3.414 -11.050 4.913 1.00 0.00 O ATOM 530 CB ARG A 37 6.380 -11.257 3.630 1.00 0.00 C ATOM 531 CG ARG A 37 7.383 -10.895 2.534 1.00 0.00 C ATOM 532 CD ARG A 37 8.508 -11.931 2.508 1.00 0.00 C ATOM 533 NE ARG A 37 8.504 -12.469 1.119 1.00 0.00 N ATOM 534 CZ ARG A 37 8.557 -13.757 0.919 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.706 -14.375 0.945 1.00 0.00 N ATOM 536 NH2 ARG A 37 7.460 -14.428 0.694 1.00 0.00 N ATOM 0 H ARG A 37 6.083 -9.911 5.660 1.00 0.00 H new ATOM 0 HA ARG A 37 5.272 -9.569 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.888 -11.336 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.935 -12.231 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.883 -10.861 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.793 -9.902 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.468 -11.477 2.753 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.334 -12.721 3.238 1.00 0.00 H new ATOM 0 HE ARG A 37 8.460 -11.831 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.563 -13.851 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.747 -15.382 0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.562 -13.945 0.675 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.501 -15.435 0.538 1.00 0.00 H new ATOM 550 N ALA A 38 3.280 -11.131 2.724 1.00 0.00 N ATOM 551 CA ALA A 38 1.929 -11.759 2.785 1.00 0.00 C ATOM 552 C ALA A 38 1.858 -12.946 1.820 1.00 0.00 C ATOM 553 O ALA A 38 2.621 -13.039 0.880 1.00 0.00 O ATOM 554 CB ALA A 38 0.962 -10.653 2.359 1.00 0.00 C ATOM 0 H ALA A 38 3.642 -10.970 1.784 1.00 0.00 H new ATOM 0 HA ALA A 38 1.691 -12.144 3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.059 -11.035 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.047 -9.811 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.208 -10.323 1.350 1.00 0.00 H new ATOM 560 N SER A 39 0.951 -13.856 2.048 1.00 0.00 N ATOM 561 CA SER A 39 0.836 -15.038 1.145 1.00 0.00 C ATOM 562 C SER A 39 0.905 -14.598 -0.319 1.00 0.00 C ATOM 563 O SER A 39 1.412 -15.305 -1.167 1.00 0.00 O ATOM 564 CB SER A 39 -0.530 -15.645 1.458 1.00 0.00 C ATOM 565 OG SER A 39 -0.492 -17.043 1.202 1.00 0.00 O ATOM 0 H SER A 39 0.285 -13.833 2.820 1.00 0.00 H new ATOM 0 HA SER A 39 1.645 -15.753 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.792 -15.461 2.500 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.299 -15.172 0.847 1.00 0.00 H new ATOM 0 HG SER A 39 -1.367 -17.436 1.403 1.00 0.00 H new ATOM 571 N SER A 40 0.397 -13.437 -0.620 1.00 0.00 N ATOM 572 CA SER A 40 0.430 -12.949 -2.028 1.00 0.00 C ATOM 573 C SER A 40 0.082 -11.463 -2.081 1.00 0.00 C ATOM 574 O SER A 40 0.228 -10.743 -1.113 1.00 0.00 O ATOM 575 CB SER A 40 -0.632 -13.770 -2.758 1.00 0.00 C ATOM 576 OG SER A 40 -0.087 -14.267 -3.974 1.00 0.00 O ATOM 0 H SER A 40 -0.041 -12.803 0.048 1.00 0.00 H new ATOM 0 HA SER A 40 1.416 -13.062 -2.479 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.964 -14.597 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.507 -13.154 -2.963 1.00 0.00 H new ATOM 0 HG SER A 40 -0.765 -14.796 -4.444 1.00 0.00 H new ATOM 582 N ASP A 41 -0.379 -11.003 -3.207 1.00 0.00 N ATOM 583 CA ASP A 41 -0.741 -9.563 -3.334 1.00 0.00 C ATOM 584 C ASP A 41 -2.020 -9.272 -2.545 1.00 0.00 C ATOM 585 O ASP A 41 -2.439 -8.139 -2.419 1.00 0.00 O ATOM 586 CB ASP A 41 -0.970 -9.343 -4.829 1.00 0.00 C ATOM 587 CG ASP A 41 0.377 -9.192 -5.534 1.00 0.00 C ATOM 588 OD1 ASP A 41 1.320 -8.769 -4.883 1.00 0.00 O ATOM 589 OD2 ASP A 41 0.446 -9.502 -6.712 1.00 0.00 O ATOM 0 H ASP A 41 -0.522 -11.562 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 41 0.033 -8.904 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.521 -10.184 -5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.577 -8.452 -4.987 1.00 0.00 H new ATOM 594 N ASN A 42 -2.640 -10.288 -2.010 1.00 0.00 N ATOM 595 CA ASN A 42 -3.890 -10.071 -1.228 1.00 0.00 C ATOM 596 C ASN A 42 -3.592 -10.149 0.272 1.00 0.00 C ATOM 597 O ASN A 42 -3.434 -11.218 0.827 1.00 0.00 O ATOM 598 CB ASN A 42 -4.823 -11.207 -1.649 1.00 0.00 C ATOM 599 CG ASN A 42 -6.259 -10.687 -1.727 1.00 0.00 C ATOM 600 OD1 ASN A 42 -6.626 -10.024 -2.676 1.00 0.00 O ATOM 601 ND2 ASN A 42 -7.092 -10.962 -0.761 1.00 0.00 N ATOM 0 H ASN A 42 -2.335 -11.259 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.331 -9.092 -1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.516 -11.604 -2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.760 -12.027 -0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.052 -10.620 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.783 -11.519 0.036 1.00 0.00 H new ATOM 608 N HIS A 43 -3.513 -9.026 0.934 1.00 0.00 N ATOM 609 CA HIS A 43 -3.225 -9.044 2.397 1.00 0.00 C ATOM 610 C HIS A 43 -3.955 -7.900 3.099 1.00 0.00 C ATOM 611 O HIS A 43 -4.717 -7.170 2.496 1.00 0.00 O ATOM 612 CB HIS A 43 -1.707 -8.860 2.526 1.00 0.00 C ATOM 613 CG HIS A 43 -1.197 -7.907 1.474 1.00 0.00 C ATOM 614 ND1 HIS A 43 -1.031 -6.548 1.712 1.00 0.00 N ATOM 615 CD2 HIS A 43 -0.781 -8.112 0.183 1.00 0.00 C ATOM 616 CE1 HIS A 43 -0.528 -5.996 0.589 1.00 0.00 C ATOM 617 NE2 HIS A 43 -0.362 -6.908 -0.374 1.00 0.00 N ATOM 0 H HIS A 43 -3.635 -8.099 0.526 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.561 -9.973 2.858 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.464 -8.479 3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.208 -9.824 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.779 -9.065 -0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.289 -4.948 0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.004 -6.754 -1.317 1.00 0.00 H new ATOM 625 N SER A 44 -3.722 -7.738 4.372 1.00 0.00 N ATOM 626 CA SER A 44 -4.394 -6.639 5.118 1.00 0.00 C ATOM 627 C SER A 44 -3.567 -5.358 4.998 1.00 0.00 C ATOM 628 O SER A 44 -2.376 -5.354 5.239 1.00 0.00 O ATOM 629 CB SER A 44 -4.443 -7.111 6.570 1.00 0.00 C ATOM 630 OG SER A 44 -3.259 -7.839 6.869 1.00 0.00 O ATOM 0 H SER A 44 -3.095 -8.320 4.928 1.00 0.00 H new ATOM 0 HA SER A 44 -5.390 -6.421 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.536 -6.256 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.320 -7.739 6.731 1.00 0.00 H new ATOM 0 HG SER A 44 -2.486 -7.383 6.474 1.00 0.00 H new ATOM 636 N CYS A 45 -4.183 -4.273 4.627 1.00 0.00 N ATOM 637 CA CYS A 45 -3.420 -2.999 4.493 1.00 0.00 C ATOM 638 C CYS A 45 -4.040 -1.911 5.370 1.00 0.00 C ATOM 639 O CYS A 45 -5.045 -2.116 6.030 1.00 0.00 O ATOM 640 CB CYS A 45 -3.516 -2.619 3.016 1.00 0.00 C ATOM 641 SG CYS A 45 -5.230 -2.784 2.452 1.00 0.00 S ATOM 0 H CYS A 45 -5.178 -4.211 4.411 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.384 -3.111 4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.173 -1.595 2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.865 -3.261 2.423 1.00 0.00 H new ATOM 646 N ALA A 46 -3.441 -0.754 5.385 1.00 0.00 N ATOM 647 CA ALA A 46 -3.983 0.352 6.222 1.00 0.00 C ATOM 648 C ALA A 46 -4.275 -0.171 7.630 1.00 0.00 C ATOM 649 O ALA A 46 -5.318 0.089 8.197 1.00 0.00 O ATOM 650 CB ALA A 46 -5.274 0.781 5.525 1.00 0.00 C ATOM 0 H ALA A 46 -2.600 -0.526 4.854 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.287 1.185 6.323 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.735 1.596 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.047 1.117 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.962 -0.064 5.481 1.00 0.00 H new ATOM 656 N GLY A 47 -3.364 -0.917 8.194 1.00 0.00 N ATOM 657 CA GLY A 47 -3.594 -1.467 9.558 1.00 0.00 C ATOM 658 C GLY A 47 -4.720 -2.496 9.491 1.00 0.00 C ATOM 659 O GLY A 47 -4.990 -3.066 8.452 1.00 0.00 O ATOM 0 H GLY A 47 -2.472 -1.168 7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.683 -1.929 9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.856 -0.666 10.249 1.00 0.00 H new ATOM 663 N ASN A 48 -5.389 -2.737 10.582 1.00 0.00 N ATOM 664 CA ASN A 48 -6.500 -3.724 10.567 1.00 0.00 C ATOM 665 C ASN A 48 -7.801 -3.042 10.134 1.00 0.00 C ATOM 666 O ASN A 48 -8.871 -3.370 10.609 1.00 0.00 O ATOM 667 CB ASN A 48 -6.608 -4.229 12.006 1.00 0.00 C ATOM 668 CG ASN A 48 -7.082 -3.094 12.916 1.00 0.00 C ATOM 669 OD1 ASN A 48 -8.050 -2.424 12.617 1.00 0.00 O ATOM 670 ND2 ASN A 48 -6.436 -2.848 14.024 1.00 0.00 N ATOM 0 H ASN A 48 -5.214 -2.293 11.483 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.319 -4.540 9.867 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.306 -5.065 12.057 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.641 -4.600 12.345 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.744 -2.094 14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.623 -3.410 14.276 1.00 0.00 H new ATOM 677 N ARG A 49 -7.721 -2.090 9.242 1.00 0.00 N ATOM 678 CA ARG A 49 -8.952 -1.386 8.793 1.00 0.00 C ATOM 679 C ARG A 49 -9.212 -1.641 7.306 1.00 0.00 C ATOM 680 O ARG A 49 -10.343 -1.657 6.863 1.00 0.00 O ATOM 681 CB ARG A 49 -8.662 0.093 9.037 1.00 0.00 C ATOM 682 CG ARG A 49 -8.883 0.419 10.515 1.00 0.00 C ATOM 683 CD ARG A 49 -9.963 1.497 10.647 1.00 0.00 C ATOM 684 NE ARG A 49 -10.345 1.482 12.086 1.00 0.00 N ATOM 685 CZ ARG A 49 -11.605 1.505 12.427 1.00 0.00 C ATOM 686 NH1 ARG A 49 -12.304 2.595 12.269 1.00 0.00 N ATOM 687 NH2 ARG A 49 -12.165 0.438 12.927 1.00 0.00 N ATOM 0 H ARG A 49 -6.855 -1.771 8.807 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.838 -1.730 9.326 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.636 0.325 8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.313 0.709 8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.183 -0.479 11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.952 0.765 10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.584 2.475 10.349 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.819 1.279 10.009 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.622 1.454 12.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.866 3.430 11.879 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.288 2.613 12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.618 -0.414 13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.149 0.456 13.193 1.00 0.00 H new ATOM 701 N GLY A 50 -8.182 -1.836 6.527 1.00 0.00 N ATOM 702 CA GLY A 50 -8.398 -2.082 5.074 1.00 0.00 C ATOM 703 C GLY A 50 -7.876 -3.471 4.701 1.00 0.00 C ATOM 704 O GLY A 50 -7.125 -4.081 5.436 1.00 0.00 O ATOM 0 H GLY A 50 -7.208 -1.836 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.459 -2.006 4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.885 -1.321 4.487 1.00 0.00 H new ATOM 708 N TRP A 51 -8.272 -3.973 3.563 1.00 0.00 N ATOM 709 CA TRP A 51 -7.806 -5.321 3.133 1.00 0.00 C ATOM 710 C TRP A 51 -7.515 -5.302 1.631 1.00 0.00 C ATOM 711 O TRP A 51 -7.716 -4.303 0.972 1.00 0.00 O ATOM 712 CB TRP A 51 -8.977 -6.254 3.442 1.00 0.00 C ATOM 713 CG TRP A 51 -8.701 -7.014 4.702 1.00 0.00 C ATOM 714 CD1 TRP A 51 -9.407 -6.895 5.850 1.00 0.00 C ATOM 715 CD2 TRP A 51 -7.666 -8.004 4.958 1.00 0.00 C ATOM 716 NE1 TRP A 51 -8.870 -7.752 6.795 1.00 0.00 N ATOM 717 CE2 TRP A 51 -7.794 -8.457 6.292 1.00 0.00 C ATOM 718 CE3 TRP A 51 -6.636 -8.548 4.170 1.00 0.00 C ATOM 719 CZ2 TRP A 51 -6.932 -9.416 6.826 1.00 0.00 C ATOM 720 CZ3 TRP A 51 -5.767 -9.513 4.702 1.00 0.00 C ATOM 721 CH2 TRP A 51 -5.914 -9.947 6.028 1.00 0.00 C ATOM 0 H TRP A 51 -8.901 -3.505 2.910 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.893 -5.637 3.638 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.895 -5.677 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -9.130 -6.947 2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -10.251 -6.239 6.004 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.225 -7.851 7.746 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.513 -8.221 3.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.050 -9.745 7.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.980 -9.924 4.087 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.242 -10.690 6.432 1.00 0.00 H new ATOM 732 N CYS A 52 -7.038 -6.383 1.078 1.00 0.00 N ATOM 733 CA CYS A 52 -6.741 -6.390 -0.385 1.00 0.00 C ATOM 734 C CYS A 52 -7.660 -7.366 -1.125 1.00 0.00 C ATOM 735 O CYS A 52 -7.598 -8.564 -0.930 1.00 0.00 O ATOM 736 CB CYS A 52 -5.292 -6.851 -0.487 1.00 0.00 C ATOM 737 SG CYS A 52 -4.612 -6.355 -2.087 1.00 0.00 S ATOM 0 H CYS A 52 -6.842 -7.255 1.569 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.900 -5.410 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.703 -6.416 0.321 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.235 -7.934 -0.376 1.00 0.00 H new ATOM 742 N ARG A 53 -8.502 -6.861 -1.985 1.00 0.00 N ATOM 743 CA ARG A 53 -9.418 -7.753 -2.755 1.00 0.00 C ATOM 744 C ARG A 53 -9.368 -7.379 -4.237 1.00 0.00 C ATOM 745 O ARG A 53 -8.992 -6.279 -4.593 1.00 0.00 O ATOM 746 CB ARG A 53 -10.820 -7.485 -2.201 1.00 0.00 C ATOM 747 CG ARG A 53 -10.788 -7.421 -0.674 1.00 0.00 C ATOM 748 CD ARG A 53 -11.157 -6.007 -0.228 1.00 0.00 C ATOM 749 NE ARG A 53 -10.762 -5.938 1.206 1.00 0.00 N ATOM 750 CZ ARG A 53 -11.507 -6.504 2.117 1.00 0.00 C ATOM 751 NH1 ARG A 53 -11.451 -7.796 2.295 1.00 0.00 N ATOM 752 NH2 ARG A 53 -12.308 -5.779 2.849 1.00 0.00 N ATOM 0 H ARG A 53 -8.596 -5.866 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.140 -8.803 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.203 -6.547 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -11.502 -8.272 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.487 -8.143 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.796 -7.685 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.631 -5.257 -0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.224 -5.820 -0.353 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.909 -5.448 1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.825 -8.363 1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.033 -8.238 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.352 -4.770 2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.890 -6.222 3.560 1.00 0.00 H new ATOM 766 N SER A 54 -9.757 -8.270 -5.107 1.00 0.00 N ATOM 767 CA SER A 54 -9.741 -7.934 -6.558 1.00 0.00 C ATOM 768 C SER A 54 -10.614 -6.704 -6.792 1.00 0.00 C ATOM 769 O SER A 54 -10.193 -5.724 -7.375 1.00 0.00 O ATOM 770 CB SER A 54 -10.329 -9.158 -7.260 1.00 0.00 C ATOM 771 OG SER A 54 -11.746 -9.042 -7.296 1.00 0.00 O ATOM 0 H SER A 54 -10.083 -9.209 -4.878 1.00 0.00 H new ATOM 0 HA SER A 54 -8.743 -7.706 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.933 -9.236 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.040 -10.068 -6.733 1.00 0.00 H new ATOM 0 HG SER A 54 -12.127 -9.824 -7.747 1.00 0.00 H new ATOM 777 N LYS A 55 -11.828 -6.753 -6.327 1.00 0.00 N ATOM 778 CA LYS A 55 -12.753 -5.607 -6.494 1.00 0.00 C ATOM 779 C LYS A 55 -13.576 -5.440 -5.203 1.00 0.00 C ATOM 780 O LYS A 55 -14.001 -6.408 -4.605 1.00 0.00 O ATOM 781 CB LYS A 55 -13.627 -6.013 -7.690 1.00 0.00 C ATOM 782 CG LYS A 55 -15.099 -5.688 -7.425 1.00 0.00 C ATOM 783 CD LYS A 55 -15.964 -6.262 -8.549 1.00 0.00 C ATOM 784 CE LYS A 55 -17.442 -6.078 -8.199 1.00 0.00 C ATOM 785 NZ LYS A 55 -17.915 -7.434 -7.806 1.00 0.00 N ATOM 0 H LYS A 55 -12.223 -7.552 -5.831 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.260 -4.651 -6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.290 -5.491 -8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.515 -7.080 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.407 -6.106 -6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.237 -4.609 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.737 -5.760 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.741 -7.320 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -17.569 -5.364 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.005 -5.695 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.922 -7.390 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.788 -8.090 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.366 -7.770 -6.989 1.00 0.00 H new ATOM 799 N CYS A 56 -13.804 -4.230 -4.771 1.00 0.00 N ATOM 800 CA CYS A 56 -14.600 -4.031 -3.524 1.00 0.00 C ATOM 801 C CYS A 56 -16.010 -3.542 -3.868 1.00 0.00 C ATOM 802 O CYS A 56 -16.269 -3.090 -4.966 1.00 0.00 O ATOM 803 CB CYS A 56 -13.844 -2.968 -2.725 1.00 0.00 C ATOM 804 SG CYS A 56 -13.967 -3.345 -0.957 1.00 0.00 S ATOM 0 H CYS A 56 -13.477 -3.376 -5.222 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.712 -4.956 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.798 -2.943 -3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.259 -1.981 -2.928 1.00 0.00 H new ATOM 809 N PHE A 57 -16.923 -3.632 -2.939 1.00 0.00 N ATOM 810 CA PHE A 57 -18.315 -3.172 -3.215 1.00 0.00 C ATOM 811 C PHE A 57 -18.400 -1.650 -3.096 1.00 0.00 C ATOM 812 O PHE A 57 -17.400 -0.961 -3.098 1.00 0.00 O ATOM 813 CB PHE A 57 -19.176 -3.840 -2.142 1.00 0.00 C ATOM 814 CG PHE A 57 -19.907 -5.017 -2.741 1.00 0.00 C ATOM 815 CD1 PHE A 57 -20.766 -4.828 -3.830 1.00 0.00 C ATOM 816 CD2 PHE A 57 -19.726 -6.298 -2.208 1.00 0.00 C ATOM 817 CE1 PHE A 57 -21.443 -5.920 -4.386 1.00 0.00 C ATOM 818 CE2 PHE A 57 -20.403 -7.390 -2.763 1.00 0.00 C ATOM 819 CZ PHE A 57 -21.262 -7.201 -3.852 1.00 0.00 C ATOM 0 H PHE A 57 -16.766 -4.004 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 57 -18.643 -3.433 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -18.550 -4.171 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -19.890 -3.124 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -20.907 -3.839 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -19.063 -6.444 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.105 -5.774 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -20.263 -8.378 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.785 -8.043 -4.280 1.00 0.00 H new ATOM 829 N ARG A 58 -19.588 -1.118 -2.996 1.00 0.00 N ATOM 830 CA ARG A 58 -19.733 0.357 -2.881 1.00 0.00 C ATOM 831 C ARG A 58 -19.481 0.805 -1.444 1.00 0.00 C ATOM 832 O ARG A 58 -18.795 1.778 -1.200 1.00 0.00 O ATOM 833 CB ARG A 58 -21.174 0.654 -3.298 1.00 0.00 C ATOM 834 CG ARG A 58 -21.245 2.045 -3.933 1.00 0.00 C ATOM 835 CD ARG A 58 -22.369 2.075 -4.972 1.00 0.00 C ATOM 836 NE ARG A 58 -23.628 2.095 -4.176 1.00 0.00 N ATOM 837 CZ ARG A 58 -24.716 2.603 -4.690 1.00 0.00 C ATOM 838 NH1 ARG A 58 -25.010 2.386 -5.942 1.00 0.00 N ATOM 839 NH2 ARG A 58 -25.510 3.327 -3.950 1.00 0.00 N ATOM 0 H ARG A 58 -20.463 -1.643 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 58 -19.016 0.889 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.522 -0.099 -4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.832 0.604 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.424 2.798 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -20.293 2.290 -4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.292 2.954 -5.612 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.328 1.202 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 58 -23.640 1.712 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -24.390 1.819 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -25.860 2.783 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -25.281 3.496 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -26.360 3.724 -4.351 1.00 0.00 H new ATOM 853 N HIS A 59 -20.019 0.102 -0.487 1.00 0.00 N ATOM 854 CA HIS A 59 -19.791 0.496 0.928 1.00 0.00 C ATOM 855 C HIS A 59 -18.307 0.805 1.138 1.00 0.00 C ATOM 856 O HIS A 59 -17.934 1.540 2.031 1.00 0.00 O ATOM 857 CB HIS A 59 -20.211 -0.721 1.753 1.00 0.00 C ATOM 858 CG HIS A 59 -21.700 -0.692 1.965 1.00 0.00 C ATOM 859 ND1 HIS A 59 -22.509 0.277 1.392 1.00 0.00 N ATOM 860 CD2 HIS A 59 -22.542 -1.506 2.682 1.00 0.00 C ATOM 861 CE1 HIS A 59 -23.775 0.025 1.772 1.00 0.00 C ATOM 862 NE2 HIS A 59 -23.851 -1.051 2.559 1.00 0.00 N ATOM 0 H HIS A 59 -20.603 -0.723 -0.623 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.352 1.386 1.213 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.924 -1.639 1.240 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.696 -0.718 2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.235 -2.369 3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.626 0.621 1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.689 -1.453 2.980 1.00 0.00 H new ATOM 870 N GLU A 60 -17.457 0.243 0.319 1.00 0.00 N ATOM 871 CA GLU A 60 -16.003 0.493 0.463 1.00 0.00 C ATOM 872 C GLU A 60 -15.424 0.992 -0.861 1.00 0.00 C ATOM 873 O GLU A 60 -16.121 1.113 -1.850 1.00 0.00 O ATOM 874 CB GLU A 60 -15.415 -0.870 0.814 1.00 0.00 C ATOM 875 CG GLU A 60 -16.263 -1.541 1.899 1.00 0.00 C ATOM 876 CD GLU A 60 -15.403 -1.790 3.139 1.00 0.00 C ATOM 877 OE1 GLU A 60 -14.189 -1.766 3.010 1.00 0.00 O ATOM 878 OE2 GLU A 60 -15.971 -1.999 4.198 1.00 0.00 O ATOM 0 H GLU A 60 -17.714 -0.381 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.780 1.249 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.381 -1.500 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.389 -0.754 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.113 -0.908 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.667 -2.483 1.529 1.00 0.00 H new ATOM 885 N TYR A 61 -14.151 1.266 -0.893 1.00 0.00 N ATOM 886 CA TYR A 61 -13.521 1.738 -2.158 1.00 0.00 C ATOM 887 C TYR A 61 -12.172 1.051 -2.345 1.00 0.00 C ATOM 888 O TYR A 61 -11.882 0.053 -1.718 1.00 0.00 O ATOM 889 CB TYR A 61 -13.337 3.249 -1.996 1.00 0.00 C ATOM 890 CG TYR A 61 -12.386 3.536 -0.856 1.00 0.00 C ATOM 891 CD1 TYR A 61 -12.770 3.262 0.462 1.00 0.00 C ATOM 892 CD2 TYR A 61 -11.121 4.083 -1.116 1.00 0.00 C ATOM 893 CE1 TYR A 61 -11.893 3.532 1.519 1.00 0.00 C ATOM 894 CE2 TYR A 61 -10.245 4.353 -0.058 1.00 0.00 C ATOM 895 CZ TYR A 61 -10.631 4.078 1.260 1.00 0.00 C ATOM 896 OH TYR A 61 -9.768 4.345 2.302 1.00 0.00 O ATOM 0 H TYR A 61 -13.518 1.184 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 61 -14.131 1.507 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.949 3.677 -2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -14.300 3.722 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -13.744 2.842 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -10.823 4.296 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -12.191 3.319 2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.271 4.774 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.935 4.720 1.949 1.00 0.00 H new ATOM 906 N VAL A 62 -11.345 1.580 -3.199 1.00 0.00 N ATOM 907 CA VAL A 62 -10.012 0.956 -3.423 1.00 0.00 C ATOM 908 C VAL A 62 -8.909 1.894 -2.934 1.00 0.00 C ATOM 909 O VAL A 62 -8.383 2.684 -3.690 1.00 0.00 O ATOM 910 CB VAL A 62 -9.918 0.756 -4.935 1.00 0.00 C ATOM 911 CG1 VAL A 62 -8.465 0.488 -5.327 1.00 0.00 C ATOM 912 CG2 VAL A 62 -10.785 -0.436 -5.345 1.00 0.00 C ATOM 0 H VAL A 62 -11.533 2.416 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.895 0.017 -2.882 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.270 1.654 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.400 0.346 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.847 1.337 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.111 -0.410 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.719 -0.580 -6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.433 -1.334 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.821 -0.245 -5.067 1.00 0.00 H new ATOM 922 N ASP A 63 -8.565 1.815 -1.673 1.00 0.00 N ATOM 923 CA ASP A 63 -7.497 2.704 -1.119 1.00 0.00 C ATOM 924 C ASP A 63 -6.368 2.891 -2.135 1.00 0.00 C ATOM 925 O ASP A 63 -5.419 2.131 -2.173 1.00 0.00 O ATOM 926 CB ASP A 63 -6.978 1.979 0.125 1.00 0.00 C ATOM 927 CG ASP A 63 -6.245 2.973 1.026 1.00 0.00 C ATOM 928 OD1 ASP A 63 -5.521 3.799 0.498 1.00 0.00 O ATOM 929 OD2 ASP A 63 -6.422 2.891 2.231 1.00 0.00 O ATOM 0 H ASP A 63 -8.980 1.170 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.878 3.698 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.808 1.524 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.306 1.171 -0.166 1.00 0.00 H new ATOM 934 N THR A 64 -6.465 3.896 -2.959 1.00 0.00 N ATOM 935 CA THR A 64 -5.398 4.132 -3.975 1.00 0.00 C ATOM 936 C THR A 64 -4.038 4.264 -3.289 1.00 0.00 C ATOM 937 O THR A 64 -3.005 4.014 -3.879 1.00 0.00 O ATOM 938 CB THR A 64 -5.779 5.446 -4.661 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.529 6.252 -3.761 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.617 5.152 -5.906 1.00 0.00 C ATOM 0 H THR A 64 -7.235 4.564 -2.974 1.00 0.00 H new ATOM 0 HA THR A 64 -5.320 3.310 -4.687 1.00 0.00 H new ATOM 0 HB THR A 64 -4.873 5.977 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.771 7.094 -4.200 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.887 6.089 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.039 4.538 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.523 4.619 -5.617 1.00 0.00 H new ATOM 948 N TYR A 65 -4.032 4.661 -2.050 1.00 0.00 N ATOM 949 CA TYR A 65 -2.742 4.817 -1.320 1.00 0.00 C ATOM 950 C TYR A 65 -2.117 3.452 -1.027 1.00 0.00 C ATOM 951 O TYR A 65 -0.959 3.217 -1.307 1.00 0.00 O ATOM 952 CB TYR A 65 -3.112 5.519 -0.014 1.00 0.00 C ATOM 953 CG TYR A 65 -1.873 6.121 0.606 1.00 0.00 C ATOM 954 CD1 TYR A 65 -1.037 6.944 -0.159 1.00 0.00 C ATOM 955 CD2 TYR A 65 -1.561 5.856 1.944 1.00 0.00 C ATOM 956 CE1 TYR A 65 0.112 7.502 0.416 1.00 0.00 C ATOM 957 CE2 TYR A 65 -0.413 6.414 2.518 1.00 0.00 C ATOM 958 CZ TYR A 65 0.424 7.237 1.755 1.00 0.00 C ATOM 959 OH TYR A 65 1.556 7.786 2.322 1.00 0.00 O ATOM 0 H TYR A 65 -4.866 4.885 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.011 5.379 -1.902 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.851 6.298 -0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.568 4.809 0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.278 7.148 -1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.206 5.221 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.757 8.137 -0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.172 6.209 3.551 1.00 0.00 H new ATOM 0 HH TYR A 65 1.624 7.503 3.258 1.00 0.00 H new ATOM 969 N TYR A 66 -2.869 2.554 -0.450 1.00 0.00 N ATOM 970 CA TYR A 66 -2.302 1.212 -0.124 1.00 0.00 C ATOM 971 C TYR A 66 -2.306 0.293 -1.354 1.00 0.00 C ATOM 972 O TYR A 66 -1.768 -0.800 -1.327 1.00 0.00 O ATOM 973 CB TYR A 66 -3.200 0.657 0.976 1.00 0.00 C ATOM 974 CG TYR A 66 -2.648 1.079 2.316 1.00 0.00 C ATOM 975 CD1 TYR A 66 -1.487 0.474 2.813 1.00 0.00 C ATOM 976 CD2 TYR A 66 -3.289 2.078 3.057 1.00 0.00 C ATOM 977 CE1 TYR A 66 -0.968 0.867 4.052 1.00 0.00 C ATOM 978 CE2 TYR A 66 -2.771 2.471 4.297 1.00 0.00 C ATOM 979 CZ TYR A 66 -1.610 1.865 4.795 1.00 0.00 C ATOM 980 OH TYR A 66 -1.099 2.253 6.016 1.00 0.00 O ATOM 0 H TYR A 66 -3.846 2.689 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.262 1.280 0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.218 1.027 0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.246 -0.430 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.992 -0.296 2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.183 2.546 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.072 0.400 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.266 3.241 4.870 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.664 2.956 6.399 1.00 0.00 H new ATOM 990 N SER A 67 -2.894 0.725 -2.435 1.00 0.00 N ATOM 991 CA SER A 67 -2.912 -0.125 -3.661 1.00 0.00 C ATOM 992 C SER A 67 -1.483 -0.555 -4.017 1.00 0.00 C ATOM 993 O SER A 67 -1.272 -1.499 -4.752 1.00 0.00 O ATOM 994 CB SER A 67 -3.489 0.773 -4.754 1.00 0.00 C ATOM 995 OG SER A 67 -4.699 0.206 -5.236 1.00 0.00 O ATOM 0 H SER A 67 -3.362 1.627 -2.524 1.00 0.00 H new ATOM 0 HA SER A 67 -3.499 -1.034 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.674 1.772 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.773 0.879 -5.569 1.00 0.00 H new ATOM 0 HG SER A 67 -5.073 0.780 -5.936 1.00 0.00 H new ATOM 1001 N ALA A 68 -0.500 0.138 -3.503 1.00 0.00 N ATOM 1002 CA ALA A 68 0.916 -0.218 -3.811 1.00 0.00 C ATOM 1003 C ALA A 68 1.308 -1.540 -3.141 1.00 0.00 C ATOM 1004 O ALA A 68 1.893 -2.406 -3.759 1.00 0.00 O ATOM 1005 CB ALA A 68 1.746 0.933 -3.243 1.00 0.00 C ATOM 0 H ALA A 68 -0.618 0.938 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 68 1.074 -0.354 -4.881 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.803 0.746 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.452 1.866 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.575 1.009 -2.169 1.00 0.00 H new ATOM 1011 N VAL A 69 0.997 -1.704 -1.882 1.00 0.00 N ATOM 1012 CA VAL A 69 1.362 -2.972 -1.189 1.00 0.00 C ATOM 1013 C VAL A 69 0.479 -4.106 -1.703 1.00 0.00 C ATOM 1014 O VAL A 69 0.844 -5.263 -1.649 1.00 0.00 O ATOM 1015 CB VAL A 69 1.126 -2.713 0.307 1.00 0.00 C ATOM 1016 CG1 VAL A 69 -0.368 -2.601 0.601 1.00 0.00 C ATOM 1017 CG2 VAL A 69 1.711 -3.862 1.129 1.00 0.00 C ATOM 0 H VAL A 69 0.508 -1.018 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 69 2.396 -3.265 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 69 1.615 -1.777 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.517 -2.418 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.791 -1.776 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.865 -3.530 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.541 -3.674 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.227 -4.796 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.782 -3.936 0.940 1.00 0.00 H new ATOM 1027 N CYS A 70 -0.677 -3.780 -2.212 1.00 0.00 N ATOM 1028 CA CYS A 70 -1.583 -4.838 -2.738 1.00 0.00 C ATOM 1029 C CYS A 70 -0.970 -5.492 -3.981 1.00 0.00 C ATOM 1030 O CYS A 70 -0.767 -6.689 -4.027 1.00 0.00 O ATOM 1031 CB CYS A 70 -2.872 -4.105 -3.100 1.00 0.00 C ATOM 1032 SG CYS A 70 -4.114 -4.418 -1.825 1.00 0.00 S ATOM 0 H CYS A 70 -1.033 -2.827 -2.286 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.754 -5.634 -2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.684 -3.035 -3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.236 -4.443 -4.070 1.00 0.00 H new ATOM 1037 N GLY A 71 -0.673 -4.716 -4.987 1.00 0.00 N ATOM 1038 CA GLY A 71 -0.074 -5.296 -6.223 1.00 0.00 C ATOM 1039 C GLY A 71 -1.186 -5.619 -7.223 1.00 0.00 C ATOM 1040 O GLY A 71 -1.988 -4.773 -7.566 1.00 0.00 O ATOM 0 H GLY A 71 -0.819 -3.707 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.633 -4.592 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.485 -6.199 -5.980 1.00 0.00 H new ATOM 1044 N ARG A 72 -1.243 -6.835 -7.690 1.00 0.00 N ATOM 1045 CA ARG A 72 -2.308 -7.208 -8.664 1.00 0.00 C ATOM 1046 C ARG A 72 -3.680 -6.821 -8.107 1.00 0.00 C ATOM 1047 O ARG A 72 -4.558 -6.394 -8.830 1.00 0.00 O ATOM 1048 CB ARG A 72 -2.196 -8.724 -8.818 1.00 0.00 C ATOM 1049 CG ARG A 72 -1.353 -9.051 -10.054 1.00 0.00 C ATOM 1050 CD ARG A 72 0.087 -9.343 -9.627 1.00 0.00 C ATOM 1051 NE ARG A 72 0.680 -10.096 -10.766 1.00 0.00 N ATOM 1052 CZ ARG A 72 1.729 -10.851 -10.574 1.00 0.00 C ATOM 1053 NH1 ARG A 72 2.377 -10.796 -9.443 1.00 0.00 N ATOM 1054 NH2 ARG A 72 2.129 -11.663 -11.515 1.00 0.00 N ATOM 0 H ARG A 72 -0.600 -7.586 -7.440 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.195 -6.698 -9.620 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.740 -9.158 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.188 -9.165 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.771 -9.913 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.374 -8.215 -10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.636 -8.421 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.115 -9.929 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 72 0.268 -10.023 -11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.065 -10.163 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.196 -11.386 -9.295 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.623 -11.708 -12.399 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.948 -12.253 -11.366 1.00 0.00 H new ATOM 1068 N TYR A 73 -3.867 -6.959 -6.823 1.00 0.00 N ATOM 1069 CA TYR A 73 -5.178 -6.592 -6.216 1.00 0.00 C ATOM 1070 C TYR A 73 -5.155 -5.129 -5.771 1.00 0.00 C ATOM 1071 O TYR A 73 -4.210 -4.407 -6.022 1.00 0.00 O ATOM 1072 CB TYR A 73 -5.329 -7.505 -4.999 1.00 0.00 C ATOM 1073 CG TYR A 73 -5.553 -8.929 -5.450 1.00 0.00 C ATOM 1074 CD1 TYR A 73 -4.492 -9.669 -5.983 1.00 0.00 C ATOM 1075 CD2 TYR A 73 -6.821 -9.511 -5.327 1.00 0.00 C ATOM 1076 CE1 TYR A 73 -4.697 -10.990 -6.395 1.00 0.00 C ATOM 1077 CE2 TYR A 73 -7.027 -10.832 -5.739 1.00 0.00 C ATOM 1078 CZ TYR A 73 -5.965 -11.572 -6.273 1.00 0.00 C ATOM 1079 OH TYR A 73 -6.167 -12.876 -6.679 1.00 0.00 O ATOM 0 H TYR A 73 -3.169 -7.310 -6.168 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.002 -6.709 -6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.436 -7.447 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.166 -7.173 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.514 -9.220 -6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.640 -8.940 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.878 -11.561 -6.807 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.005 -11.281 -5.645 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.102 -13.126 -6.525 1.00 0.00 H new ATOM 1089 N PHE A 74 -6.184 -4.690 -5.100 1.00 0.00 N ATOM 1090 CA PHE A 74 -6.218 -3.277 -4.625 1.00 0.00 C ATOM 1091 C PHE A 74 -6.568 -3.250 -3.138 1.00 0.00 C ATOM 1092 O PHE A 74 -7.379 -4.025 -2.672 1.00 0.00 O ATOM 1093 CB PHE A 74 -7.319 -2.584 -5.436 1.00 0.00 C ATOM 1094 CG PHE A 74 -7.330 -3.106 -6.852 1.00 0.00 C ATOM 1095 CD1 PHE A 74 -6.150 -3.124 -7.605 1.00 0.00 C ATOM 1096 CD2 PHE A 74 -8.524 -3.574 -7.408 1.00 0.00 C ATOM 1097 CE1 PHE A 74 -6.168 -3.610 -8.918 1.00 0.00 C ATOM 1098 CE2 PHE A 74 -8.543 -4.060 -8.720 1.00 0.00 C ATOM 1099 CZ PHE A 74 -7.364 -4.079 -9.475 1.00 0.00 C ATOM 0 H PHE A 74 -7.003 -5.248 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.257 -2.780 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.289 -2.757 -4.969 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.155 -1.506 -5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.228 -2.764 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.433 -3.560 -6.824 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.259 -3.623 -9.501 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.466 -4.420 -9.150 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.377 -4.455 -10.487 1.00 0.00 H new ATOM 1109 N CYS A 75 -5.973 -2.368 -2.389 1.00 0.00 N ATOM 1110 CA CYS A 75 -6.291 -2.309 -0.937 1.00 0.00 C ATOM 1111 C CYS A 75 -7.604 -1.561 -0.732 1.00 0.00 C ATOM 1112 O CYS A 75 -7.642 -0.348 -0.742 1.00 0.00 O ATOM 1113 CB CYS A 75 -5.134 -1.539 -0.301 1.00 0.00 C ATOM 1114 SG CYS A 75 -5.574 -1.095 1.399 1.00 0.00 S ATOM 0 H CYS A 75 -5.285 -1.690 -2.715 1.00 0.00 H new ATOM 0 HA CYS A 75 -6.405 -3.299 -0.496 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.230 -2.148 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.918 -0.641 -0.880 1.00 0.00 H new ATOM 1119 N CYS A 76 -8.685 -2.268 -0.551 1.00 0.00 N ATOM 1120 CA CYS A 76 -9.986 -1.579 -0.355 1.00 0.00 C ATOM 1121 C CYS A 76 -10.098 -1.078 1.076 1.00 0.00 C ATOM 1122 O CYS A 76 -9.342 -1.461 1.945 1.00 0.00 O ATOM 1123 CB CYS A 76 -11.048 -2.634 -0.646 1.00 0.00 C ATOM 1124 SG CYS A 76 -12.670 -2.068 -0.078 1.00 0.00 S ATOM 0 H CYS A 76 -8.722 -3.287 -0.531 1.00 0.00 H new ATOM 0 HA CYS A 76 -10.097 -0.711 -1.005 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -11.082 -2.840 -1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -10.787 -3.569 -0.149 1.00 0.00 H new ATOM 1129 N ARG A 77 -11.031 -0.216 1.320 1.00 0.00 N ATOM 1130 CA ARG A 77 -11.191 0.327 2.697 1.00 0.00 C ATOM 1131 C ARG A 77 -12.609 0.856 2.910 1.00 0.00 C ATOM 1132 O ARG A 77 -13.398 0.942 1.990 1.00 0.00 O ATOM 1133 CB ARG A 77 -10.176 1.466 2.788 1.00 0.00 C ATOM 1134 CG ARG A 77 -8.849 0.928 3.323 1.00 0.00 C ATOM 1135 CD ARG A 77 -8.226 1.959 4.265 1.00 0.00 C ATOM 1136 NE ARG A 77 -9.238 2.157 5.338 1.00 0.00 N ATOM 1137 CZ ARG A 77 -8.926 2.829 6.413 1.00 0.00 C ATOM 1138 NH1 ARG A 77 -8.069 2.335 7.265 1.00 0.00 N ATOM 1139 NH2 ARG A 77 -9.472 3.992 6.635 1.00 0.00 N ATOM 0 H ARG A 77 -11.693 0.140 0.630 1.00 0.00 H new ATOM 0 HA ARG A 77 -11.027 -0.435 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.029 1.915 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.553 2.251 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.011 -0.012 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.170 0.717 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.281 1.601 4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.014 2.893 3.744 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.175 1.768 5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.644 1.425 7.091 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.825 2.860 8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.142 4.376 5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.229 4.518 7.475 1.00 0.00 H new ATOM 1153 N SER A 78 -12.935 1.212 4.121 1.00 0.00 N ATOM 1154 CA SER A 78 -14.303 1.737 4.400 1.00 0.00 C ATOM 1155 C SER A 78 -14.247 3.246 4.660 1.00 0.00 C ATOM 1156 O SER A 78 -14.334 3.695 5.786 1.00 0.00 O ATOM 1157 CB SER A 78 -14.763 0.994 5.653 1.00 0.00 C ATOM 1158 OG SER A 78 -14.238 -0.327 5.633 1.00 0.00 O ATOM 0 H SER A 78 -12.315 1.163 4.930 1.00 0.00 H new ATOM 0 HA SER A 78 -14.984 1.584 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.425 1.519 6.546 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.852 0.965 5.694 1.00 0.00 H new ATOM 0 HG SER A 78 -14.530 -0.807 6.436 1.00 0.00 H new ATOM 1164 N ARG A 79 -14.104 4.032 3.628 1.00 0.00 N ATOM 1165 CA ARG A 79 -14.045 5.510 3.818 1.00 0.00 C ATOM 1166 C ARG A 79 -15.118 5.957 4.815 1.00 0.00 C ATOM 1167 O ARG A 79 -16.152 5.311 4.870 1.00 0.00 O ATOM 1168 CB ARG A 79 -14.319 6.099 2.434 1.00 0.00 C ATOM 1169 CG ARG A 79 -13.798 7.537 2.378 1.00 0.00 C ATOM 1170 CD ARG A 79 -14.748 8.393 1.534 1.00 0.00 C ATOM 1171 NE ARG A 79 -13.953 9.596 1.160 1.00 0.00 N ATOM 1172 CZ ARG A 79 -14.283 10.769 1.629 1.00 0.00 C ATOM 1173 NH1 ARG A 79 -15.142 11.512 0.988 1.00 0.00 N ATOM 1174 NH2 ARG A 79 -13.752 11.199 2.742 1.00 0.00 N ATOM 1175 OXT ARG A 79 -14.887 6.935 5.505 1.00 0.00 O ATOM 0 H ARG A 79 -14.025 3.715 2.662 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.085 5.838 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.833 5.495 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.388 6.080 2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.721 7.946 3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.796 7.556 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -15.086 7.853 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -15.639 8.668 2.099 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.151 9.503 0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.557 11.177 0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.399 12.428 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.080 10.619 3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.009 12.115 3.109 1.00 0.00 H new TER 1189 ARG A 79