USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 GLU N :NH3+ 176:sc= 0 (180deg=-0.0327) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 37:sc= 0.04 USER MOD Single : A 9 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.35) USER MOD Single : A 10 GLN : amide:sc= -0.88 K(o=-0.88,f=-0.049) USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 0.858 (180deg=0.0626) USER MOD Single : A 23 TYR OH : rot -164:sc= 0.488 USER MOD Single : A 25 HIS : no HD1:sc= -10.3! C(o=-10!,f=-8!) USER MOD Single : A 27 THR OG1 : rot 164:sc= -1.06 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.953 X(o=-0.95,f=-0.63!) USER MOD Single : A 33 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.38) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.353 -11.073 21.467 1.00 0.00 N ATOM 2 CA GLU A 1 5.246 -12.217 21.377 1.00 0.00 C ATOM 3 C GLU A 1 4.838 -13.118 20.210 1.00 0.00 C ATOM 4 O GLU A 1 4.712 -14.330 20.371 1.00 0.00 O ATOM 5 CB GLU A 1 5.269 -12.999 22.691 1.00 0.00 C ATOM 6 CG GLU A 1 6.703 -13.191 23.190 1.00 0.00 C ATOM 7 CD GLU A 1 6.917 -14.614 23.709 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.141 -15.015 24.603 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.852 -15.269 23.200 1.00 0.00 O ATOM 0 H1 GLU A 1 4.599 -10.506 22.303 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.450 -10.489 20.612 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.371 -11.405 21.550 1.00 0.00 H new ATOM 0 HA GLU A 1 6.256 -11.851 21.192 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.686 -12.469 23.444 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.797 -13.971 22.548 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.404 -12.986 22.381 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.914 -12.475 23.984 1.00 0.00 H new ATOM 16 N GLU A 2 4.642 -12.489 19.059 1.00 0.00 N ATOM 17 CA GLU A 2 4.250 -13.219 17.865 1.00 0.00 C ATOM 18 C GLU A 2 4.793 -12.522 16.616 1.00 0.00 C ATOM 19 O GLU A 2 5.781 -12.965 16.033 1.00 0.00 O ATOM 20 CB GLU A 2 2.730 -13.374 17.791 1.00 0.00 C ATOM 21 CG GLU A 2 2.340 -14.826 17.505 1.00 0.00 C ATOM 22 CD GLU A 2 1.063 -15.208 18.256 1.00 0.00 C ATOM 23 OE1 GLU A 2 -0.023 -14.887 17.728 1.00 0.00 O ATOM 24 OE2 GLU A 2 1.203 -15.814 19.341 1.00 0.00 O ATOM 0 H GLU A 2 4.747 -11.483 18.929 1.00 0.00 H new ATOM 0 HA GLU A 2 4.681 -14.219 17.915 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.282 -13.052 18.731 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.332 -12.726 17.010 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.191 -14.962 16.434 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.153 -15.490 17.801 1.00 0.00 H new ATOM 31 N TYR A 3 4.121 -11.443 16.241 1.00 0.00 N ATOM 32 CA TYR A 3 4.523 -10.681 15.071 1.00 0.00 C ATOM 33 C TYR A 3 4.612 -9.188 15.394 1.00 0.00 C ATOM 34 O TYR A 3 4.242 -8.762 16.487 1.00 0.00 O ATOM 35 CB TYR A 3 3.427 -10.901 14.027 1.00 0.00 C ATOM 36 CG TYR A 3 2.159 -10.080 14.274 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.169 -10.572 15.101 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.005 -8.849 13.671 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.024 -9.800 15.334 1.00 0.00 C ATOM 40 CE2 TYR A 3 0.812 -8.077 13.903 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.144 -8.591 14.724 1.00 0.00 C ATOM 42 OH TYR A 3 -1.270 -7.862 14.943 1.00 0.00 O ATOM 0 H TYR A 3 3.301 -11.079 16.727 1.00 0.00 H new ATOM 0 HA TYR A 3 5.504 -11.003 14.721 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.822 -10.653 13.042 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.165 -11.959 14.008 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.289 -11.536 15.573 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.780 -8.464 13.024 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.806 -10.173 15.979 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.679 -7.112 13.436 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.217 -7.020 14.444 1.00 0.00 H new ATOM 52 N VAL A 4 5.105 -8.434 14.422 1.00 0.00 N ATOM 53 CA VAL A 4 5.248 -6.997 14.589 1.00 0.00 C ATOM 54 C VAL A 4 5.864 -6.400 13.323 1.00 0.00 C ATOM 55 O VAL A 4 7.059 -6.556 13.076 1.00 0.00 O ATOM 56 CB VAL A 4 6.060 -6.695 15.850 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.321 -7.560 15.910 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.411 -5.208 15.932 1.00 0.00 C ATOM 0 H VAL A 4 5.410 -8.791 13.517 1.00 0.00 H new ATOM 0 HA VAL A 4 4.273 -6.529 14.727 1.00 0.00 H new ATOM 0 HB VAL A 4 5.443 -6.942 16.714 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.880 -7.326 16.816 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.040 -8.613 15.919 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.942 -7.358 15.038 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.988 -5.020 16.837 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.001 -4.925 15.060 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.494 -4.619 15.957 1.00 0.00 H new ATOM 68 N GLY A 5 5.021 -5.728 12.553 1.00 0.00 N ATOM 69 CA GLY A 5 5.467 -5.106 11.318 1.00 0.00 C ATOM 70 C GLY A 5 4.320 -4.998 10.312 1.00 0.00 C ATOM 71 O GLY A 5 4.379 -4.197 9.380 1.00 0.00 O ATOM 0 H GLY A 5 4.031 -5.601 12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.864 -4.113 11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.280 -5.689 10.886 1.00 0.00 H new ATOM 75 N LEU A 6 3.301 -5.816 10.534 1.00 0.00 N ATOM 76 CA LEU A 6 2.142 -5.822 9.659 1.00 0.00 C ATOM 77 C LEU A 6 1.786 -4.383 9.280 1.00 0.00 C ATOM 78 O LEU A 6 1.315 -4.127 8.173 1.00 0.00 O ATOM 79 CB LEU A 6 0.987 -6.591 10.304 1.00 0.00 C ATOM 80 CG LEU A 6 0.231 -7.557 9.390 1.00 0.00 C ATOM 81 CD1 LEU A 6 -0.808 -8.357 10.178 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.394 -6.816 8.206 1.00 0.00 C ATOM 0 H LEU A 6 3.255 -6.479 11.308 1.00 0.00 H new ATOM 0 HA LEU A 6 2.368 -6.350 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.380 -7.155 11.150 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.275 -5.869 10.705 1.00 0.00 H new ATOM 0 HG LEU A 6 0.946 -8.271 8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.331 -9.036 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.309 -8.932 10.958 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.525 -7.674 10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.925 -7.526 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.093 -6.065 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.390 -6.329 7.627 1.00 0.00 H new ATOM 94 N SER A 7 2.026 -3.481 10.221 1.00 0.00 N ATOM 95 CA SER A 7 1.737 -2.074 9.999 1.00 0.00 C ATOM 96 C SER A 7 3.040 -1.276 9.935 1.00 0.00 C ATOM 97 O SER A 7 3.890 -1.396 10.816 1.00 0.00 O ATOM 98 CB SER A 7 0.828 -1.519 11.098 1.00 0.00 C ATOM 99 OG SER A 7 1.334 -1.798 12.401 1.00 0.00 O ATOM 0 H SER A 7 2.417 -3.697 11.138 1.00 0.00 H new ATOM 0 HA SER A 7 1.213 -1.978 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.724 -0.441 10.973 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.168 -1.949 10.996 1.00 0.00 H new ATOM 0 HG SER A 7 2.312 -1.729 12.394 1.00 0.00 H new ATOM 105 N ALA A 8 3.157 -0.479 8.883 1.00 0.00 N ATOM 106 CA ALA A 8 4.343 0.339 8.692 1.00 0.00 C ATOM 107 C ALA A 8 5.443 -0.508 8.048 1.00 0.00 C ATOM 108 O ALA A 8 5.705 -0.385 6.852 1.00 0.00 O ATOM 109 CB ALA A 8 4.775 0.933 10.034 1.00 0.00 C ATOM 0 H ALA A 8 2.450 -0.382 8.154 1.00 0.00 H new ATOM 0 HA ALA A 8 4.131 1.171 8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.665 1.547 9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.970 1.549 10.435 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.999 0.127 10.733 1.00 0.00 H new ATOM 115 N ASN A 9 6.056 -1.347 8.869 1.00 0.00 N ATOM 116 CA ASN A 9 7.121 -2.214 8.394 1.00 0.00 C ATOM 117 C ASN A 9 6.752 -2.760 7.013 1.00 0.00 C ATOM 118 O ASN A 9 7.629 -3.038 6.197 1.00 0.00 O ATOM 119 CB ASN A 9 7.323 -3.404 9.334 1.00 0.00 C ATOM 120 CG ASN A 9 8.745 -3.958 9.219 1.00 0.00 C ATOM 121 OD1 ASN A 9 9.726 -3.234 9.253 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.800 -5.280 9.080 1.00 0.00 N ATOM 0 H ASN A 9 5.836 -1.445 9.860 1.00 0.00 H new ATOM 0 HA ASN A 9 8.039 -1.628 8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.131 -3.097 10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.603 -4.187 9.095 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.703 -5.747 8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.939 -5.827 9.059 1.00 0.00 H new ATOM 129 N GLN A 10 5.452 -2.896 6.794 1.00 0.00 N ATOM 130 CA GLN A 10 4.956 -3.404 5.527 1.00 0.00 C ATOM 131 C GLN A 10 4.847 -2.269 4.506 1.00 0.00 C ATOM 132 O GLN A 10 5.260 -2.420 3.358 1.00 0.00 O ATOM 133 CB GLN A 10 3.610 -4.109 5.707 1.00 0.00 C ATOM 134 CG GLN A 10 3.465 -5.273 4.725 1.00 0.00 C ATOM 135 CD GLN A 10 3.690 -6.614 5.426 1.00 0.00 C ATOM 136 OE1 GLN A 10 4.642 -7.330 5.162 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.763 -6.913 6.332 1.00 0.00 N ATOM 0 H GLN A 10 4.727 -2.663 7.473 1.00 0.00 H new ATOM 0 HA GLN A 10 5.667 -4.140 5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.522 -4.478 6.729 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.799 -3.397 5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.471 -5.255 4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.182 -5.159 3.912 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.991 -6.268 6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.824 -7.787 6.855 1.00 0.00 H new ATOM 146 N CYS A 11 4.289 -1.157 4.963 1.00 0.00 N ATOM 147 CA CYS A 11 4.121 0.003 4.104 1.00 0.00 C ATOM 148 C CYS A 11 5.123 1.074 4.542 1.00 0.00 C ATOM 149 O CYS A 11 4.769 2.245 4.672 1.00 0.00 O ATOM 150 CB CYS A 11 2.682 0.523 4.131 1.00 0.00 C ATOM 151 SG CYS A 11 1.408 -0.760 4.414 1.00 0.00 S ATOM 0 H CYS A 11 3.948 -1.035 5.916 1.00 0.00 H new ATOM 0 HA CYS A 11 4.318 -0.276 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.598 1.278 4.913 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.472 1.021 3.184 1.00 0.00 H new ATOM 156 N ALA A 12 6.354 0.634 4.757 1.00 0.00 N ATOM 157 CA ALA A 12 7.410 1.540 5.177 1.00 0.00 C ATOM 158 C ALA A 12 8.454 1.650 4.065 1.00 0.00 C ATOM 159 O ALA A 12 9.645 1.460 4.306 1.00 0.00 O ATOM 160 CB ALA A 12 8.011 1.047 6.495 1.00 0.00 C ATOM 0 H ALA A 12 6.644 -0.338 4.648 1.00 0.00 H new ATOM 0 HA ALA A 12 7.011 2.539 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.803 1.726 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.235 1.015 7.259 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.424 0.048 6.355 1.00 0.00 H new ATOM 166 N VAL A 13 7.970 1.957 2.870 1.00 0.00 N ATOM 167 CA VAL A 13 8.847 2.094 1.720 1.00 0.00 C ATOM 168 C VAL A 13 9.300 3.551 1.601 1.00 0.00 C ATOM 169 O VAL A 13 8.577 4.464 1.995 1.00 0.00 O ATOM 170 CB VAL A 13 8.143 1.583 0.461 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.118 0.823 -0.441 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.939 0.712 0.823 1.00 0.00 C ATOM 0 H VAL A 13 6.982 2.115 2.674 1.00 0.00 H new ATOM 0 HA VAL A 13 9.741 1.484 1.847 1.00 0.00 H new ATOM 0 HB VAL A 13 7.777 2.447 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.593 0.470 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.930 1.486 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.526 -0.030 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.456 0.361 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.273 -0.144 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.229 1.297 1.407 1.00 0.00 H new ATOM 182 N PRO A 14 10.528 3.727 1.042 1.00 0.00 N ATOM 183 CA PRO A 14 11.086 5.057 0.867 1.00 0.00 C ATOM 184 C PRO A 14 10.413 5.785 -0.299 1.00 0.00 C ATOM 185 O PRO A 14 10.798 6.901 -0.644 1.00 0.00 O ATOM 186 CB PRO A 14 12.574 4.833 0.647 1.00 0.00 C ATOM 187 CG PRO A 14 12.721 3.374 0.246 1.00 0.00 C ATOM 188 CD PRO A 14 11.413 2.669 0.564 1.00 0.00 C ATOM 0 HA PRO A 14 10.916 5.701 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.957 5.493 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.140 5.048 1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.951 3.291 -0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.546 2.911 0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.003 2.178 -0.319 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.553 1.898 1.321 1.00 0.00 H new ATOM 196 N ALA A 15 9.419 5.123 -0.873 1.00 0.00 N ATOM 197 CA ALA A 15 8.688 5.693 -1.992 1.00 0.00 C ATOM 198 C ALA A 15 9.436 5.389 -3.292 1.00 0.00 C ATOM 199 O ALA A 15 8.837 5.368 -4.366 1.00 0.00 O ATOM 200 CB ALA A 15 8.499 7.195 -1.766 1.00 0.00 C ATOM 0 H ALA A 15 9.103 4.197 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 15 7.696 5.247 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.951 7.623 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.938 7.357 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.474 7.676 -1.686 1.00 0.00 H new ATOM 206 N LYS A 16 10.733 5.161 -3.151 1.00 0.00 N ATOM 207 CA LYS A 16 11.569 4.858 -4.300 1.00 0.00 C ATOM 208 C LYS A 16 11.591 3.345 -4.526 1.00 0.00 C ATOM 209 O LYS A 16 12.361 2.847 -5.346 1.00 0.00 O ATOM 210 CB LYS A 16 12.959 5.475 -4.129 1.00 0.00 C ATOM 211 CG LYS A 16 13.709 4.822 -2.967 1.00 0.00 C ATOM 212 CD LYS A 16 14.178 3.413 -3.338 1.00 0.00 C ATOM 213 CE LYS A 16 15.521 3.092 -2.681 1.00 0.00 C ATOM 214 NZ LYS A 16 15.353 2.055 -1.639 1.00 0.00 N ATOM 0 H LYS A 16 11.226 5.180 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 16 11.154 5.309 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.530 5.354 -5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.866 6.546 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.568 5.435 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.061 4.775 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.432 2.683 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.270 3.330 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.228 2.747 -3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.942 3.995 -2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.271 1.608 -1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.989 2.493 -0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.681 1.334 -1.971 1.00 0.00 H new ATOM 228 N ASP A 17 10.737 2.656 -3.783 1.00 0.00 N ATOM 229 CA ASP A 17 10.649 1.210 -3.892 1.00 0.00 C ATOM 230 C ASP A 17 9.179 0.800 -4.002 1.00 0.00 C ATOM 231 O ASP A 17 8.831 -0.351 -3.740 1.00 0.00 O ATOM 232 CB ASP A 17 11.239 0.528 -2.656 1.00 0.00 C ATOM 233 CG ASP A 17 12.432 -0.390 -2.931 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.180 -1.587 -3.189 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.569 0.126 -2.877 1.00 0.00 O ATOM 0 H ASP A 17 10.100 3.072 -3.104 1.00 0.00 H new ATOM 0 HA ASP A 17 11.209 0.903 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.547 1.297 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.455 -0.055 -2.172 1.00 0.00 H new ATOM 240 N ARG A 18 8.356 1.763 -4.389 1.00 0.00 N ATOM 241 CA ARG A 18 6.932 1.517 -4.537 1.00 0.00 C ATOM 242 C ARG A 18 6.660 0.732 -5.822 1.00 0.00 C ATOM 243 O ARG A 18 7.076 1.143 -6.904 1.00 0.00 O ATOM 244 CB ARG A 18 6.147 2.829 -4.573 1.00 0.00 C ATOM 245 CG ARG A 18 6.677 3.814 -3.528 1.00 0.00 C ATOM 246 CD ARG A 18 6.049 3.550 -2.158 1.00 0.00 C ATOM 247 NE ARG A 18 5.667 4.830 -1.521 1.00 0.00 N ATOM 248 CZ ARG A 18 5.561 5.009 -0.198 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.809 3.991 0.638 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.208 6.205 0.291 1.00 0.00 N ATOM 0 H ARG A 18 8.649 2.716 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 18 6.605 0.935 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.219 3.273 -5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.091 2.630 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.761 3.727 -3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.459 4.835 -3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.171 2.913 -2.268 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.754 3.014 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 18 5.472 5.626 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.078 3.080 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.728 4.127 1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.020 6.980 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.128 6.340 1.299 1.00 0.00 H new ATOM 264 N VAL A 19 5.963 -0.383 -5.661 1.00 0.00 N ATOM 265 CA VAL A 19 5.630 -1.228 -6.795 1.00 0.00 C ATOM 266 C VAL A 19 4.320 -0.744 -7.419 1.00 0.00 C ATOM 267 O VAL A 19 3.864 -1.296 -8.419 1.00 0.00 O ATOM 268 CB VAL A 19 5.578 -2.694 -6.357 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.097 -3.590 -7.500 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.938 -3.157 -5.832 1.00 0.00 C ATOM 0 H VAL A 19 5.620 -0.721 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 19 6.401 -1.159 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 19 4.859 -2.776 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.069 -4.626 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.098 -3.282 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.781 -3.501 -8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.874 -4.202 -5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.686 -3.053 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.225 -2.546 -4.976 1.00 0.00 H new ATOM 280 N ASP A 20 3.752 0.282 -6.803 1.00 0.00 N ATOM 281 CA ASP A 20 2.503 0.847 -7.286 1.00 0.00 C ATOM 282 C ASP A 20 1.580 -0.284 -7.745 1.00 0.00 C ATOM 283 O ASP A 20 1.609 -0.680 -8.909 1.00 0.00 O ATOM 284 CB ASP A 20 2.743 1.774 -8.480 1.00 0.00 C ATOM 285 CG ASP A 20 1.496 2.105 -9.303 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.410 2.165 -8.688 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.658 2.290 -10.528 1.00 0.00 O ATOM 0 H ASP A 20 4.133 0.737 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 20 2.053 1.415 -6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.177 2.705 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.481 1.313 -9.136 1.00 0.00 H new ATOM 292 N CYS A 21 0.783 -0.772 -6.805 1.00 0.00 N ATOM 293 CA CYS A 21 -0.146 -1.849 -7.097 1.00 0.00 C ATOM 294 C CYS A 21 -1.203 -1.321 -8.070 1.00 0.00 C ATOM 295 O CYS A 21 -1.928 -2.100 -8.687 1.00 0.00 O ATOM 296 CB CYS A 21 -0.775 -2.415 -5.823 1.00 0.00 C ATOM 297 SG CYS A 21 -0.654 -1.326 -4.358 1.00 0.00 S ATOM 0 H CYS A 21 0.762 -0.441 -5.841 1.00 0.00 H new ATOM 0 HA CYS A 21 0.389 -2.679 -7.558 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.827 -2.625 -6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.298 -3.367 -5.591 1.00 0.00 H new ATOM 302 N GLY A 22 -1.257 -0.002 -8.175 1.00 0.00 N ATOM 303 CA GLY A 22 -2.214 0.640 -9.062 1.00 0.00 C ATOM 304 C GLY A 22 -3.641 0.485 -8.532 1.00 0.00 C ATOM 305 O GLY A 22 -4.247 -0.576 -8.671 1.00 0.00 O ATOM 0 H GLY A 22 -0.654 0.640 -7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.971 1.698 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.142 0.203 -10.058 1.00 0.00 H new ATOM 309 N TYR A 23 -4.137 1.560 -7.937 1.00 0.00 N ATOM 310 CA TYR A 23 -5.481 1.557 -7.386 1.00 0.00 C ATOM 311 C TYR A 23 -6.182 2.892 -7.645 1.00 0.00 C ATOM 312 O TYR A 23 -5.543 3.943 -7.651 1.00 0.00 O ATOM 313 CB TYR A 23 -5.319 1.364 -5.877 1.00 0.00 C ATOM 314 CG TYR A 23 -5.227 -0.100 -5.444 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.361 -0.887 -5.424 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.010 -0.635 -5.072 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.274 -2.265 -5.016 1.00 0.00 C ATOM 318 CE2 TYR A 23 -3.923 -2.013 -4.664 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.060 -2.760 -4.656 1.00 0.00 C ATOM 320 OH TYR A 23 -4.978 -4.062 -4.270 1.00 0.00 O ATOM 0 H TYR A 23 -3.632 2.439 -7.825 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.082 0.772 -7.845 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.421 1.887 -5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.163 1.830 -5.369 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.314 -0.469 -5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.123 -0.020 -5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.154 -2.891 -4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.977 -2.444 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.128 -4.213 -3.806 1.00 0.00 H new ATOM 330 N PRO A 24 -7.523 2.805 -7.859 1.00 0.00 N ATOM 331 CA PRO A 24 -8.318 3.994 -8.117 1.00 0.00 C ATOM 332 C PRO A 24 -8.539 4.796 -6.833 1.00 0.00 C ATOM 333 O PRO A 24 -7.806 5.743 -6.555 1.00 0.00 O ATOM 334 CB PRO A 24 -9.612 3.477 -8.725 1.00 0.00 C ATOM 335 CG PRO A 24 -9.685 2.004 -8.358 1.00 0.00 C ATOM 336 CD PRO A 24 -8.314 1.578 -7.859 1.00 0.00 C ATOM 0 HA PRO A 24 -7.825 4.691 -8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.472 4.020 -8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.616 3.611 -9.807 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.439 1.840 -7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.978 1.409 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.373 1.145 -6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.873 0.822 -8.509 1.00 0.00 H new ATOM 344 N HIS A 25 -9.553 4.386 -6.085 1.00 0.00 N ATOM 345 CA HIS A 25 -9.881 5.055 -4.837 1.00 0.00 C ATOM 346 C HIS A 25 -8.957 4.550 -3.727 1.00 0.00 C ATOM 347 O HIS A 25 -9.335 3.673 -2.952 1.00 0.00 O ATOM 348 CB HIS A 25 -11.363 4.881 -4.500 1.00 0.00 C ATOM 349 CG HIS A 25 -11.729 3.491 -4.038 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.901 3.212 -3.357 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.066 2.306 -4.166 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.932 1.914 -3.092 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.793 1.354 -3.594 1.00 0.00 N ATOM 0 H HIS A 25 -10.158 3.599 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.716 6.127 -4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.634 5.594 -3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.957 5.128 -5.380 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.111 2.166 -4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.720 1.391 -2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.542 0.367 -3.539 1.00 0.00 H new ATOM 362 N VAL A 26 -7.764 5.125 -3.686 1.00 0.00 N ATOM 363 CA VAL A 26 -6.784 4.744 -2.684 1.00 0.00 C ATOM 364 C VAL A 26 -6.951 5.633 -1.450 1.00 0.00 C ATOM 365 O VAL A 26 -7.130 6.844 -1.572 1.00 0.00 O ATOM 366 CB VAL A 26 -5.376 4.806 -3.279 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.186 3.732 -4.353 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.077 6.199 -3.838 1.00 0.00 C ATOM 0 H VAL A 26 -7.454 5.852 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.943 3.713 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.665 4.607 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.177 3.798 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.336 2.746 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.910 3.885 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.070 6.215 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.797 6.440 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.151 6.936 -3.038 1.00 0.00 H new ATOM 378 N THR A 27 -6.885 4.997 -0.289 1.00 0.00 N ATOM 379 CA THR A 27 -7.027 5.715 0.966 1.00 0.00 C ATOM 380 C THR A 27 -6.235 5.016 2.073 1.00 0.00 C ATOM 381 O THR A 27 -5.728 3.913 1.876 1.00 0.00 O ATOM 382 CB THR A 27 -8.520 5.840 1.274 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.850 4.602 1.898 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.379 5.859 0.008 1.00 0.00 C ATOM 0 H THR A 27 -6.735 3.993 -0.192 1.00 0.00 H new ATOM 0 HA THR A 27 -6.610 6.720 0.896 1.00 0.00 H new ATOM 0 HB THR A 27 -8.698 6.750 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.712 4.687 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.430 5.949 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.092 6.707 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.227 4.934 -0.548 1.00 0.00 H new ATOM 392 N PRO A 28 -6.150 5.705 3.242 1.00 0.00 N ATOM 393 CA PRO A 28 -5.428 5.162 4.380 1.00 0.00 C ATOM 394 C PRO A 28 -6.228 4.047 5.056 1.00 0.00 C ATOM 395 O PRO A 28 -6.256 3.952 6.282 1.00 0.00 O ATOM 396 CB PRO A 28 -5.181 6.352 5.294 1.00 0.00 C ATOM 397 CG PRO A 28 -6.171 7.422 4.862 1.00 0.00 C ATOM 398 CD PRO A 28 -6.738 7.015 3.511 1.00 0.00 C ATOM 0 HA PRO A 28 -4.486 4.693 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.331 6.080 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.155 6.709 5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.970 7.522 5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.679 8.392 4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.826 6.963 3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.472 7.735 2.737 1.00 0.00 H new ATOM 406 N LYS A 29 -6.859 3.229 4.226 1.00 0.00 N ATOM 407 CA LYS A 29 -7.658 2.123 4.727 1.00 0.00 C ATOM 408 C LYS A 29 -8.252 1.352 3.547 1.00 0.00 C ATOM 409 O LYS A 29 -8.195 0.124 3.511 1.00 0.00 O ATOM 410 CB LYS A 29 -8.705 2.627 5.722 1.00 0.00 C ATOM 411 CG LYS A 29 -9.036 1.553 6.760 1.00 0.00 C ATOM 412 CD LYS A 29 -10.413 0.940 6.496 1.00 0.00 C ATOM 413 CE LYS A 29 -11.412 1.348 7.580 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.327 2.395 7.075 1.00 0.00 N ATOM 0 H LYS A 29 -6.833 3.310 3.210 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.034 1.423 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.335 3.521 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.611 2.914 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.276 0.772 6.736 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.013 1.989 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.778 1.262 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.331 -0.146 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.986 0.478 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.877 1.716 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.998 2.660 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.776 3.231 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.851 2.031 6.253 1.00 0.00 H new ATOM 428 N GLU A 30 -8.808 2.105 2.609 1.00 0.00 N ATOM 429 CA GLU A 30 -9.411 1.508 1.430 1.00 0.00 C ATOM 430 C GLU A 30 -8.334 0.890 0.537 1.00 0.00 C ATOM 431 O GLU A 30 -8.498 -0.223 0.039 1.00 0.00 O ATOM 432 CB GLU A 30 -10.240 2.537 0.658 1.00 0.00 C ATOM 433 CG GLU A 30 -10.962 1.884 -0.523 1.00 0.00 C ATOM 434 CD GLU A 30 -12.479 2.020 -0.381 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.987 3.107 -0.731 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.097 1.034 0.075 1.00 0.00 O ATOM 0 H GLU A 30 -8.853 3.123 2.642 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.085 0.715 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.969 2.997 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.591 3.335 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.637 2.348 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.692 0.830 -0.581 1.00 0.00 H new ATOM 443 N CYS A 31 -7.255 1.638 0.362 1.00 0.00 N ATOM 444 CA CYS A 31 -6.150 1.178 -0.463 1.00 0.00 C ATOM 445 C CYS A 31 -5.533 -0.053 0.205 1.00 0.00 C ATOM 446 O CYS A 31 -5.033 -0.947 -0.475 1.00 0.00 O ATOM 447 CB CYS A 31 -5.116 2.282 -0.692 1.00 0.00 C ATOM 448 SG CYS A 31 -3.406 1.689 -0.957 1.00 0.00 S ATOM 0 H CYS A 31 -7.122 2.560 0.777 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.519 0.907 -1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.420 2.871 -1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.124 2.952 0.168 1.00 0.00 H new ATOM 453 N ASN A 32 -5.588 -0.058 1.529 1.00 0.00 N ATOM 454 CA ASN A 32 -5.040 -1.164 2.296 1.00 0.00 C ATOM 455 C ASN A 32 -6.137 -2.202 2.541 1.00 0.00 C ATOM 456 O ASN A 32 -5.888 -3.242 3.149 1.00 0.00 O ATOM 457 CB ASN A 32 -4.527 -0.689 3.657 1.00 0.00 C ATOM 458 CG ASN A 32 -4.256 -1.875 4.585 1.00 0.00 C ATOM 459 OD1 ASN A 32 -3.614 -2.847 4.222 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.779 -1.741 5.801 1.00 0.00 N ATOM 0 H ASN A 32 -6.003 0.686 2.090 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.214 -1.592 1.728 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.613 -0.111 3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.260 -0.025 4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.653 -2.478 6.494 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.306 -0.901 6.040 1.00 0.00 H new ATOM 467 N ASN A 33 -7.328 -1.883 2.056 1.00 0.00 N ATOM 468 CA ASN A 33 -8.464 -2.775 2.214 1.00 0.00 C ATOM 469 C ASN A 33 -8.613 -3.633 0.956 1.00 0.00 C ATOM 470 O ASN A 33 -8.931 -4.818 1.042 1.00 0.00 O ATOM 471 CB ASN A 33 -9.761 -1.986 2.404 1.00 0.00 C ATOM 472 CG ASN A 33 -10.967 -2.925 2.483 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.450 -3.269 3.550 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.425 -3.318 1.298 1.00 0.00 N ATOM 0 H ASN A 33 -7.531 -1.019 1.553 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.286 -3.395 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.699 -1.391 3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.892 -1.289 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.228 -3.945 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.974 -2.992 0.443 1.00 0.00 H new ATOM 481 N ARG A 34 -8.375 -3.001 -0.184 1.00 0.00 N ATOM 482 CA ARG A 34 -8.478 -3.691 -1.458 1.00 0.00 C ATOM 483 C ARG A 34 -7.435 -4.807 -1.544 1.00 0.00 C ATOM 484 O ARG A 34 -7.600 -5.759 -2.305 1.00 0.00 O ATOM 485 CB ARG A 34 -8.278 -2.725 -2.627 1.00 0.00 C ATOM 486 CG ARG A 34 -9.181 -3.094 -3.805 1.00 0.00 C ATOM 487 CD ARG A 34 -8.870 -4.502 -4.315 1.00 0.00 C ATOM 488 NE ARG A 34 -9.310 -4.640 -5.721 1.00 0.00 N ATOM 489 CZ ARG A 34 -8.910 -5.622 -6.540 1.00 0.00 C ATOM 490 NH1 ARG A 34 -8.060 -6.559 -6.099 1.00 0.00 N ATOM 491 NH2 ARG A 34 -9.362 -5.668 -7.801 1.00 0.00 N ATOM 0 H ARG A 34 -8.111 -2.018 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.479 -4.118 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.495 -1.707 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.235 -2.743 -2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.226 -3.037 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.045 -2.373 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.800 -4.697 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.374 -5.242 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.958 -3.944 -6.090 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.717 -6.525 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.756 -7.306 -6.723 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.010 -4.956 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.058 -6.415 -8.425 1.00 0.00 H new ATOM 505 N GLY A 35 -6.384 -4.652 -0.752 1.00 0.00 N ATOM 506 CA GLY A 35 -5.313 -5.635 -0.728 1.00 0.00 C ATOM 507 C GLY A 35 -3.995 -5.020 -1.202 1.00 0.00 C ATOM 508 O GLY A 35 -3.554 -5.274 -2.322 1.00 0.00 O ATOM 0 H GLY A 35 -6.251 -3.861 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.194 -6.024 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.575 -6.479 -1.366 1.00 0.00 H new ATOM 512 N CYS A 36 -3.402 -4.223 -0.325 1.00 0.00 N ATOM 513 CA CYS A 36 -2.142 -3.570 -0.639 1.00 0.00 C ATOM 514 C CYS A 36 -1.793 -2.621 0.509 1.00 0.00 C ATOM 515 O CYS A 36 -2.258 -2.804 1.634 1.00 0.00 O ATOM 516 CB CYS A 36 -2.202 -2.842 -1.983 1.00 0.00 C ATOM 517 SG CYS A 36 -0.782 -3.161 -3.093 1.00 0.00 S ATOM 0 H CYS A 36 -3.771 -4.015 0.603 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.357 -4.319 -0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.119 -3.132 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.266 -1.770 -1.797 1.00 0.00 H new ATOM 522 N CYS A 37 -0.978 -1.628 0.187 1.00 0.00 N ATOM 523 CA CYS A 37 -0.562 -0.649 1.177 1.00 0.00 C ATOM 524 C CYS A 37 -0.873 0.747 0.634 1.00 0.00 C ATOM 525 O CYS A 37 -0.816 0.973 -0.574 1.00 0.00 O ATOM 526 CB CYS A 37 0.916 -0.805 1.540 1.00 0.00 C ATOM 527 SG CYS A 37 1.256 -2.005 2.879 1.00 0.00 S ATOM 0 H CYS A 37 -0.594 -1.480 -0.746 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.114 -0.808 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.464 -1.112 0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.308 0.168 1.836 1.00 0.00 H new ATOM 532 N PHE A 38 -1.193 1.646 1.552 1.00 0.00 N ATOM 533 CA PHE A 38 -1.513 3.014 1.180 1.00 0.00 C ATOM 534 C PHE A 38 -0.458 3.987 1.710 1.00 0.00 C ATOM 535 O PHE A 38 0.436 3.592 2.457 1.00 0.00 O ATOM 536 CB PHE A 38 -2.863 3.347 1.818 1.00 0.00 C ATOM 537 CG PHE A 38 -3.277 4.813 1.667 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.919 5.226 0.542 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.004 5.702 2.660 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.303 6.586 0.402 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.388 7.062 2.520 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.030 7.475 1.395 1.00 0.00 C ATOM 0 H PHE A 38 -1.238 1.454 2.553 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.542 3.107 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.631 2.715 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.824 3.098 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.137 4.520 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.495 5.374 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.812 6.914 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.170 7.768 3.307 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.323 8.509 1.290 1.00 0.00 H new ATOM 552 N ASP A 39 -0.597 5.240 1.303 1.00 0.00 N ATOM 553 CA ASP A 39 0.333 6.273 1.727 1.00 0.00 C ATOM 554 C ASP A 39 -0.095 7.615 1.131 1.00 0.00 C ATOM 555 O ASP A 39 -0.550 7.675 -0.010 1.00 0.00 O ATOM 556 CB ASP A 39 1.752 5.970 1.241 1.00 0.00 C ATOM 557 CG ASP A 39 2.765 7.095 1.461 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.790 8.011 0.611 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.492 7.014 2.475 1.00 0.00 O ATOM 0 H ASP A 39 -1.340 5.564 0.684 1.00 0.00 H new ATOM 0 HA ASP A 39 0.325 6.307 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.110 5.075 1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.714 5.739 0.176 1.00 0.00 H new ATOM 564 N SER A 40 0.067 8.660 1.930 1.00 0.00 N ATOM 565 CA SER A 40 -0.297 9.998 1.495 1.00 0.00 C ATOM 566 C SER A 40 0.836 10.976 1.809 1.00 0.00 C ATOM 567 O SER A 40 0.640 12.190 1.775 1.00 0.00 O ATOM 568 CB SER A 40 -1.596 10.459 2.161 1.00 0.00 C ATOM 569 OG SER A 40 -1.451 10.603 3.571 1.00 0.00 O ATOM 0 H SER A 40 0.445 8.607 2.876 1.00 0.00 H new ATOM 0 HA SER A 40 -0.461 9.975 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.907 11.410 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.387 9.740 1.949 1.00 0.00 H new ATOM 0 HG SER A 40 -2.301 10.900 3.959 1.00 0.00 H new ATOM 575 N ARG A 41 1.997 10.411 2.107 1.00 0.00 N ATOM 576 CA ARG A 41 3.162 11.219 2.427 1.00 0.00 C ATOM 577 C ARG A 41 3.522 12.123 1.245 1.00 0.00 C ATOM 578 O ARG A 41 3.713 13.326 1.415 1.00 0.00 O ATOM 579 CB ARG A 41 4.365 10.339 2.771 1.00 0.00 C ATOM 580 CG ARG A 41 5.234 10.994 3.846 1.00 0.00 C ATOM 581 CD ARG A 41 6.611 10.331 3.917 1.00 0.00 C ATOM 582 NE ARG A 41 7.155 10.439 5.289 1.00 0.00 N ATOM 583 CZ ARG A 41 7.586 11.583 5.839 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.538 12.723 5.136 1.00 0.00 N ATOM 585 NH2 ARG A 41 8.063 11.587 7.091 1.00 0.00 N ATOM 0 H ARG A 41 2.156 9.404 2.134 1.00 0.00 H new ATOM 0 HA ARG A 41 2.913 11.830 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.020 9.366 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.960 10.163 1.875 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.349 12.056 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.740 10.918 4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.534 9.283 3.629 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.290 10.807 3.209 1.00 0.00 H new ATOM 0 HE ARG A 41 7.205 9.590 5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.174 12.720 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.866 13.594 5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.098 10.719 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.391 12.458 7.509 1.00 0.00 H new ATOM 599 N ILE A 42 3.602 11.508 0.074 1.00 0.00 N ATOM 600 CA ILE A 42 3.935 12.242 -1.135 1.00 0.00 C ATOM 601 C ILE A 42 3.098 11.706 -2.298 1.00 0.00 C ATOM 602 O ILE A 42 2.988 10.495 -2.482 1.00 0.00 O ATOM 603 CB ILE A 42 5.443 12.197 -1.390 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.086 11.007 -0.675 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.104 13.522 -1.005 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.522 9.684 -1.198 1.00 0.00 C ATOM 0 H ILE A 42 3.442 10.510 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 42 3.685 13.297 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 42 5.604 12.055 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.166 11.030 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.909 11.083 0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.176 13.463 -1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.673 14.329 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.935 13.719 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.995 8.854 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.446 9.654 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.722 9.600 -2.266 1.00 0.00 H new ATOM 618 N PRO A 43 2.515 12.659 -3.073 1.00 0.00 N ATOM 619 CA PRO A 43 1.691 12.295 -4.214 1.00 0.00 C ATOM 620 C PRO A 43 2.555 11.822 -5.385 1.00 0.00 C ATOM 621 O PRO A 43 2.188 10.885 -6.092 1.00 0.00 O ATOM 622 CB PRO A 43 0.889 13.546 -4.534 1.00 0.00 C ATOM 623 CG PRO A 43 1.624 14.696 -3.865 1.00 0.00 C ATOM 624 CD PRO A 43 2.623 14.103 -2.885 1.00 0.00 C ATOM 0 HA PRO A 43 1.028 11.456 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.820 13.701 -5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.131 13.463 -4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.136 15.307 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.921 15.348 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.634 14.454 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.388 14.387 -1.859 1.00 0.00 H new ATOM 632 N GLY A 44 3.685 12.493 -5.554 1.00 0.00 N ATOM 633 CA GLY A 44 4.603 12.152 -6.627 1.00 0.00 C ATOM 634 C GLY A 44 4.698 10.636 -6.808 1.00 0.00 C ATOM 635 O GLY A 44 4.677 10.139 -7.933 1.00 0.00 O ATOM 0 H GLY A 44 3.985 13.271 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.268 12.612 -7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.591 12.558 -6.408 1.00 0.00 H new ATOM 639 N VAL A 45 4.801 9.944 -5.683 1.00 0.00 N ATOM 640 CA VAL A 45 4.899 8.494 -5.703 1.00 0.00 C ATOM 641 C VAL A 45 3.492 7.892 -5.682 1.00 0.00 C ATOM 642 O VAL A 45 2.510 8.605 -5.483 1.00 0.00 O ATOM 643 CB VAL A 45 5.773 8.013 -4.543 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.797 9.079 -4.150 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.916 7.606 -3.343 1.00 0.00 C ATOM 0 H VAL A 45 4.819 10.360 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 45 5.383 8.156 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 45 6.319 7.131 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.405 8.712 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.439 9.299 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.278 9.987 -3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.562 7.268 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.330 8.462 -3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.245 6.798 -3.633 1.00 0.00 H new ATOM 655 N PRO A 46 3.439 6.549 -5.895 1.00 0.00 N ATOM 656 CA PRO A 46 2.169 5.843 -5.902 1.00 0.00 C ATOM 657 C PRO A 46 1.627 5.674 -4.481 1.00 0.00 C ATOM 658 O PRO A 46 1.944 4.697 -3.804 1.00 0.00 O ATOM 659 CB PRO A 46 2.460 4.518 -6.588 1.00 0.00 C ATOM 660 CG PRO A 46 3.968 4.337 -6.523 1.00 0.00 C ATOM 661 CD PRO A 46 4.581 5.672 -6.134 1.00 0.00 C ATOM 0 HA PRO A 46 1.388 6.388 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.946 3.698 -6.087 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.112 4.528 -7.621 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.229 3.570 -5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.355 4.006 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.201 5.578 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.219 6.061 -6.927 1.00 0.00 H new ATOM 669 N TRP A 47 0.821 6.641 -4.070 1.00 0.00 N ATOM 670 CA TRP A 47 0.232 6.612 -2.742 1.00 0.00 C ATOM 671 C TRP A 47 0.023 5.148 -2.350 1.00 0.00 C ATOM 672 O TRP A 47 0.467 4.717 -1.287 1.00 0.00 O ATOM 673 CB TRP A 47 -1.057 7.434 -2.696 1.00 0.00 C ATOM 674 CG TRP A 47 -0.848 8.900 -2.312 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.242 9.656 -2.507 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.802 9.762 -1.657 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.061 10.937 -2.026 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.221 11.004 -1.493 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.111 9.502 -1.216 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.877 12.082 -0.887 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.753 10.590 -0.613 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.183 11.846 -0.441 1.00 0.00 C ATOM 0 H TRP A 47 0.562 7.451 -4.634 1.00 0.00 H new ATOM 0 HA TRP A 47 0.898 7.075 -2.014 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.538 7.390 -3.673 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.742 6.976 -1.982 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.148 9.307 -2.981 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.743 11.695 -2.056 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.584 8.538 -1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.401 13.044 -0.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.762 10.443 -0.256 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.745 12.636 0.035 1.00 0.00 H new ATOM 693 N CYS A 48 -0.653 4.424 -3.230 1.00 0.00 N ATOM 694 CA CYS A 48 -0.927 3.017 -2.989 1.00 0.00 C ATOM 695 C CYS A 48 0.187 2.193 -3.638 1.00 0.00 C ATOM 696 O CYS A 48 0.476 2.358 -4.822 1.00 0.00 O ATOM 697 CB CYS A 48 -2.310 2.614 -3.504 1.00 0.00 C ATOM 698 SG CYS A 48 -3.001 1.100 -2.743 1.00 0.00 S ATOM 0 H CYS A 48 -1.019 4.785 -4.111 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.942 2.825 -1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.001 3.439 -3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.252 2.468 -4.583 1.00 0.00 H new ATOM 703 N PHE A 49 0.781 1.324 -2.834 1.00 0.00 N ATOM 704 CA PHE A 49 1.857 0.474 -3.315 1.00 0.00 C ATOM 705 C PHE A 49 1.866 -0.868 -2.580 1.00 0.00 C ATOM 706 O PHE A 49 1.244 -1.008 -1.528 1.00 0.00 O ATOM 707 CB PHE A 49 3.169 1.207 -3.029 1.00 0.00 C ATOM 708 CG PHE A 49 3.263 1.786 -1.616 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.409 0.956 -0.549 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.200 3.132 -1.427 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.496 1.493 0.762 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.288 3.669 -0.116 1.00 0.00 C ATOM 713 CZ PHE A 49 3.433 2.839 0.951 1.00 0.00 C ATOM 0 H PHE A 49 0.538 1.190 -1.853 1.00 0.00 H new ATOM 0 HA PHE A 49 1.726 0.275 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.999 0.518 -3.184 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.286 2.016 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.459 -0.112 -0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.083 3.792 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.612 0.833 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.240 4.737 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.498 3.248 1.948 1.00 0.00 H new ATOM 723 N LYS A 50 2.578 -1.821 -3.164 1.00 0.00 N ATOM 724 CA LYS A 50 2.676 -3.147 -2.577 1.00 0.00 C ATOM 725 C LYS A 50 3.448 -3.061 -1.259 1.00 0.00 C ATOM 726 O LYS A 50 4.106 -2.059 -0.985 1.00 0.00 O ATOM 727 CB LYS A 50 3.279 -4.133 -3.580 1.00 0.00 C ATOM 728 CG LYS A 50 2.604 -4.006 -4.948 1.00 0.00 C ATOM 729 CD LYS A 50 3.016 -5.154 -5.871 1.00 0.00 C ATOM 730 CE LYS A 50 2.136 -6.384 -5.643 1.00 0.00 C ATOM 731 NZ LYS A 50 2.117 -7.240 -6.851 1.00 0.00 N ATOM 0 H LYS A 50 3.092 -1.701 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 50 1.685 -3.534 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.348 -3.947 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.165 -5.151 -3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.521 -4.005 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.874 -3.053 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.939 -4.835 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.060 -5.411 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.511 -6.954 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.121 -6.072 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.515 -8.070 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.738 -6.699 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.084 -7.553 -7.070 1.00 0.00 H new ATOM 745 N PRO A 51 3.339 -4.154 -0.457 1.00 0.00 N ATOM 746 CA PRO A 51 4.019 -4.212 0.826 1.00 0.00 C ATOM 747 C PRO A 51 5.518 -4.454 0.641 1.00 0.00 C ATOM 748 O PRO A 51 5.920 -5.440 0.026 1.00 0.00 O ATOM 749 CB PRO A 51 3.326 -5.330 1.588 1.00 0.00 C ATOM 750 CG PRO A 51 2.601 -6.161 0.542 1.00 0.00 C ATOM 751 CD PRO A 51 2.568 -5.360 -0.749 1.00 0.00 C ATOM 0 HA PRO A 51 3.957 -3.274 1.378 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.048 -5.935 2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.626 -4.928 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.112 -7.112 0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.589 -6.393 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.007 -5.921 -1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.546 -5.116 -1.038 1.00 0.00 H new ATOM 759 N LEU A 52 6.304 -3.537 1.185 1.00 0.00 N ATOM 760 CA LEU A 52 7.751 -3.638 1.089 1.00 0.00 C ATOM 761 C LEU A 52 8.161 -5.110 1.169 1.00 0.00 C ATOM 762 O LEU A 52 7.742 -5.826 2.077 1.00 0.00 O ATOM 763 CB LEU A 52 8.421 -2.755 2.142 1.00 0.00 C ATOM 764 CG LEU A 52 9.933 -2.929 2.300 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.520 -1.839 3.199 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.274 -4.333 2.804 1.00 0.00 C ATOM 0 H LEU A 52 5.967 -2.720 1.694 1.00 0.00 H new ATOM 0 HA LEU A 52 8.096 -3.262 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.219 -1.713 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.950 -2.951 3.105 1.00 0.00 H new ATOM 0 HG LEU A 52 10.393 -2.819 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.596 -1.986 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.325 -0.861 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.058 -1.892 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.355 -4.430 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.801 -4.497 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.910 -5.074 2.092 1.00 0.00 H new ATOM 778 N GLN A 53 8.975 -5.518 0.206 1.00 0.00 N ATOM 779 CA GLN A 53 9.447 -6.891 0.156 1.00 0.00 C ATOM 780 C GLN A 53 10.269 -7.216 1.405 1.00 0.00 C ATOM 781 O GLN A 53 11.498 -7.239 1.355 1.00 0.00 O ATOM 782 CB GLN A 53 10.257 -7.147 -1.116 1.00 0.00 C ATOM 783 CG GLN A 53 11.197 -5.976 -1.412 1.00 0.00 C ATOM 784 CD GLN A 53 10.619 -5.071 -2.502 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.053 -5.522 -3.484 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.793 -3.772 -2.275 1.00 0.00 N ATOM 0 H GLN A 53 9.320 -4.921 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 53 8.580 -7.552 0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.836 -8.064 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.581 -7.297 -1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.360 -5.397 -0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.169 -6.356 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.276 -3.462 -1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.443 -3.086 -2.944 1.00 0.00 H new ATOM 795 N GLU A 54 9.558 -7.458 2.496 1.00 0.00 N ATOM 796 CA GLU A 54 10.206 -7.780 3.756 1.00 0.00 C ATOM 797 C GLU A 54 11.265 -8.864 3.546 1.00 0.00 C ATOM 798 O GLU A 54 10.943 -9.982 3.145 1.00 0.00 O ATOM 799 CB GLU A 54 9.180 -8.211 4.806 1.00 0.00 C ATOM 800 CG GLU A 54 8.813 -9.687 4.640 1.00 0.00 C ATOM 801 CD GLU A 54 9.802 -10.586 5.384 1.00 0.00 C ATOM 802 OE1 GLU A 54 10.258 -10.155 6.466 1.00 0.00 O ATOM 803 OE2 GLU A 54 10.081 -11.683 4.855 1.00 0.00 O ATOM 0 H GLU A 54 8.539 -7.438 2.534 1.00 0.00 H new ATOM 0 HA GLU A 54 10.701 -6.883 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.584 -8.043 5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.284 -7.597 4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.805 -9.859 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.806 -9.947 3.581 1.00 0.00 H new ATOM 810 N ALA A 55 12.506 -8.497 3.826 1.00 0.00 N ATOM 811 CA ALA A 55 13.614 -9.424 3.673 1.00 0.00 C ATOM 812 C ALA A 55 14.844 -8.866 4.392 1.00 0.00 C ATOM 813 O ALA A 55 15.943 -8.863 3.838 1.00 0.00 O ATOM 814 CB ALA A 55 13.871 -9.672 2.185 1.00 0.00 C ATOM 0 H ALA A 55 12.769 -7.569 4.158 1.00 0.00 H new ATOM 0 HA ALA A 55 13.375 -10.386 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.702 -10.368 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.977 -10.096 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.117 -8.729 1.696 1.00 0.00 H new ATOM 820 N GLU A 56 14.618 -8.407 5.614 1.00 0.00 N ATOM 821 CA GLU A 56 15.695 -7.848 6.414 1.00 0.00 C ATOM 822 C GLU A 56 16.604 -6.976 5.546 1.00 0.00 C ATOM 823 O GLU A 56 17.818 -7.168 5.524 1.00 0.00 O ATOM 824 CB GLU A 56 16.494 -8.953 7.107 1.00 0.00 C ATOM 825 CG GLU A 56 17.297 -8.394 8.283 1.00 0.00 C ATOM 826 CD GLU A 56 16.679 -8.814 9.618 1.00 0.00 C ATOM 827 OE1 GLU A 56 15.732 -8.122 10.048 1.00 0.00 O ATOM 828 OE2 GLU A 56 17.169 -9.818 10.179 1.00 0.00 O ATOM 0 H GLU A 56 13.705 -8.411 6.070 1.00 0.00 H new ATOM 0 HA GLU A 56 15.256 -7.221 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.816 -9.729 7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 56 17.169 -9.422 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.326 -8.749 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.331 -7.306 8.220 1.00 0.00 H new ATOM 835 N CYS A 57 15.980 -6.035 4.852 1.00 0.00 N ATOM 836 CA CYS A 57 16.718 -5.133 3.984 1.00 0.00 C ATOM 837 C CYS A 57 16.206 -3.711 4.223 1.00 0.00 C ATOM 838 O CYS A 57 15.078 -3.383 3.856 1.00 0.00 O ATOM 839 CB CYS A 57 16.603 -5.541 2.514 1.00 0.00 C ATOM 840 SG CYS A 57 18.106 -6.314 1.812 1.00 0.00 S ATOM 0 H CYS A 57 14.972 -5.878 4.873 1.00 0.00 H new ATOM 0 HA CYS A 57 17.780 -5.182 4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.771 -6.237 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 57 16.357 -4.658 1.925 1.00 0.00 H new ATOM 0 HG CYS A 57 17.895 -6.620 0.566 1.00 0.00 H new ATOM 845 N THR A 58 17.059 -2.904 4.836 1.00 0.00 N ATOM 846 CA THR A 58 16.707 -1.525 5.129 1.00 0.00 C ATOM 847 C THR A 58 17.905 -0.784 5.726 1.00 0.00 C ATOM 848 O THR A 58 18.041 -0.699 6.945 1.00 0.00 O ATOM 849 CB THR A 58 15.480 -1.534 6.043 1.00 0.00 C ATOM 850 OG1 THR A 58 15.242 -0.156 6.317 1.00 0.00 O ATOM 851 CG2 THR A 58 15.777 -2.141 7.415 1.00 0.00 C ATOM 0 H THR A 58 17.994 -3.179 5.138 1.00 0.00 H new ATOM 0 HA THR A 58 16.449 -0.981 4.220 1.00 0.00 H new ATOM 0 HB THR A 58 14.675 -2.093 5.565 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.461 -0.069 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.873 -2.123 8.024 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.112 -3.171 7.292 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.558 -1.562 7.908 1.00 0.00 H new ATOM 859 N PHE A 59 18.742 -0.267 4.839 1.00 0.00 N ATOM 860 CA PHE A 59 19.924 0.464 5.263 1.00 0.00 C ATOM 861 C PHE A 59 20.816 -0.404 6.153 1.00 0.00 C ATOM 862 O PHE A 59 20.483 -0.663 7.308 1.00 0.00 O ATOM 863 CB PHE A 59 19.439 1.670 6.071 1.00 0.00 C ATOM 864 CG PHE A 59 20.455 2.810 6.159 1.00 0.00 C ATOM 865 CD1 PHE A 59 21.038 3.291 5.028 1.00 0.00 C ATOM 866 CD2 PHE A 59 20.776 3.343 7.369 1.00 0.00 C ATOM 867 CE1 PHE A 59 21.981 4.349 5.110 1.00 0.00 C ATOM 868 CE2 PHE A 59 21.719 4.401 7.451 1.00 0.00 C ATOM 869 CZ PHE A 59 22.302 4.882 6.320 1.00 0.00 C ATOM 0 H PHE A 59 18.625 -0.340 3.828 1.00 0.00 H new ATOM 0 HA PHE A 59 20.507 0.765 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 59 18.521 2.049 5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 59 19.189 1.342 7.080 1.00 0.00 H new ATOM 0 HD1 PHE A 59 20.783 2.868 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 59 20.313 2.961 8.267 1.00 0.00 H new ATOM 0 HE1 PHE A 59 22.444 4.731 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 59 21.974 4.824 8.412 1.00 0.00 H new ATOM 0 HZ PHE A 59 23.020 5.687 6.382 1.00 0.00 H new TER 879 PHE A 59