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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 26:sc= 0.697 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.0092) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 1.16 (180deg=1.05) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.737 USER MOD Single : A 25 HIS : no HD1:sc= -9.2! C(o=-9.2!,f=-7.3!) USER MOD Single : A 27 THR OG1 : rot 141:sc= -1.27 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0117 (180deg=-0.28) USER MOD Single : A 32 ASN : amide:sc= -4.37! C(o=-4.4!,f=-13!) USER MOD Single : A 33 ASN : amide:sc=-0.00551 X(o=-0.0055,f=0) 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= -1.41 K(o=-1.4,f=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.613 USER MOD Single : A 58 THR OG1 : rot -69:sc= 0.925 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.571 -8.375 19.181 1.00 0.00 N ATOM 2 CA GLU A 1 4.485 -9.235 19.914 1.00 0.00 C ATOM 3 C GLU A 1 5.600 -9.733 18.993 1.00 0.00 C ATOM 4 O GLU A 1 5.408 -10.687 18.240 1.00 0.00 O ATOM 5 CB GLU A 1 3.739 -10.407 20.556 1.00 0.00 C ATOM 6 CG GLU A 1 4.178 -10.607 22.008 1.00 0.00 C ATOM 7 CD GLU A 1 4.354 -12.093 22.328 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.151 -12.737 21.612 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.687 -12.552 23.281 1.00 0.00 O ATOM 0 H1 GLU A 1 2.819 -8.044 19.819 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.091 -7.557 18.805 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.148 -8.908 18.394 1.00 0.00 H new ATOM 0 HA GLU A 1 4.937 -8.652 20.716 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.665 -10.223 20.519 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.926 -11.318 19.987 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.116 -10.080 22.184 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.437 -10.172 22.679 1.00 0.00 H new ATOM 16 N GLU A 2 6.740 -9.065 19.082 1.00 0.00 N ATOM 17 CA GLU A 2 7.886 -9.427 18.265 1.00 0.00 C ATOM 18 C GLU A 2 7.437 -9.774 16.844 1.00 0.00 C ATOM 19 O GLU A 2 7.993 -10.672 16.215 1.00 0.00 O ATOM 20 CB GLU A 2 8.662 -10.587 18.893 1.00 0.00 C ATOM 21 CG GLU A 2 7.738 -11.774 19.178 1.00 0.00 C ATOM 22 CD GLU A 2 8.535 -12.980 19.679 1.00 0.00 C ATOM 23 OE1 GLU A 2 9.397 -13.452 18.906 1.00 0.00 O ATOM 24 OE2 GLU A 2 8.263 -13.403 20.823 1.00 0.00 O ATOM 0 H GLU A 2 6.895 -8.275 19.708 1.00 0.00 H new ATOM 0 HA GLU A 2 8.557 -8.569 18.214 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.464 -10.898 18.223 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.131 -10.256 19.819 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.994 -11.490 19.923 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.195 -12.043 18.272 1.00 0.00 H new ATOM 31 N TYR A 3 6.434 -9.042 16.380 1.00 0.00 N ATOM 32 CA TYR A 3 5.904 -9.260 15.045 1.00 0.00 C ATOM 33 C TYR A 3 5.027 -8.086 14.604 1.00 0.00 C ATOM 34 O TYR A 3 4.546 -7.320 15.437 1.00 0.00 O ATOM 35 CB TYR A 3 5.041 -10.520 15.135 1.00 0.00 C ATOM 36 CG TYR A 3 5.133 -11.427 13.906 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.310 -12.089 13.623 1.00 0.00 C ATOM 38 CD2 TYR A 3 4.039 -11.582 13.079 1.00 0.00 C ATOM 39 CE1 TYR A 3 6.397 -12.942 12.467 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.126 -12.435 11.922 1.00 0.00 C ATOM 41 CZ TYR A 3 5.300 -13.073 11.673 1.00 0.00 C ATOM 42 OH TYR A 3 5.382 -13.879 10.580 1.00 0.00 O ATOM 0 H TYR A 3 5.975 -8.298 16.905 1.00 0.00 H new ATOM 0 HA TYR A 3 6.714 -9.358 14.322 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.337 -11.089 16.016 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.001 -10.226 15.280 1.00 0.00 H new ATOM 0 HD1 TYR A 3 7.167 -11.967 14.269 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.118 -11.064 13.300 1.00 0.00 H new ATOM 0 HE1 TYR A 3 7.312 -13.466 12.235 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.277 -12.565 11.267 1.00 0.00 H new ATOM 0 HH TYR A 3 4.523 -13.878 10.107 1.00 0.00 H new ATOM 52 N VAL A 4 4.846 -7.983 13.296 1.00 0.00 N ATOM 53 CA VAL A 4 4.036 -6.915 12.735 1.00 0.00 C ATOM 54 C VAL A 4 2.718 -7.498 12.220 1.00 0.00 C ATOM 55 O VAL A 4 2.147 -8.394 12.840 1.00 0.00 O ATOM 56 CB VAL A 4 4.824 -6.173 11.654 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.199 -5.748 12.172 1.00 0.00 C ATOM 58 CG2 VAL A 4 4.954 -7.023 10.388 1.00 0.00 C ATOM 0 H VAL A 4 5.246 -8.621 12.608 1.00 0.00 H new ATOM 0 HA VAL A 4 3.790 -6.180 13.501 1.00 0.00 H new ATOM 0 HB VAL A 4 4.269 -5.271 11.396 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.738 -5.223 11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.076 -5.087 13.030 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.764 -6.631 12.472 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.518 -6.472 9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.475 -7.951 10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.961 -7.253 10.001 1.00 0.00 H new ATOM 68 N GLY A 5 2.274 -6.966 11.090 1.00 0.00 N ATOM 69 CA GLY A 5 1.034 -7.423 10.485 1.00 0.00 C ATOM 70 C GLY A 5 0.058 -6.260 10.292 1.00 0.00 C ATOM 71 O GLY A 5 -1.066 -6.459 9.834 1.00 0.00 O ATOM 0 H GLY A 5 2.750 -6.223 10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.245 -7.889 9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.577 -8.186 11.115 1.00 0.00 H new ATOM 75 N LEU A 6 0.524 -5.073 10.650 1.00 0.00 N ATOM 76 CA LEU A 6 -0.294 -3.878 10.522 1.00 0.00 C ATOM 77 C LEU A 6 0.357 -2.926 9.516 1.00 0.00 C ATOM 78 O LEU A 6 1.565 -2.981 9.296 1.00 0.00 O ATOM 79 CB LEU A 6 -0.542 -3.248 11.894 1.00 0.00 C ATOM 80 CG LEU A 6 0.707 -2.872 12.694 1.00 0.00 C ATOM 81 CD1 LEU A 6 0.720 -1.377 13.019 1.00 0.00 C ATOM 82 CD2 LEU A 6 0.831 -3.733 13.953 1.00 0.00 C ATOM 0 H LEU A 6 1.457 -4.912 11.029 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.280 -4.131 10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.145 -2.351 11.756 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.135 -3.942 12.489 1.00 0.00 H new ATOM 0 HG LEU A 6 1.582 -3.075 12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.618 -1.136 13.588 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.713 -0.803 12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.161 -1.125 13.609 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.727 -3.446 14.504 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.046 -3.584 14.583 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.900 -4.783 13.670 1.00 0.00 H new ATOM 94 N SER A 7 -0.474 -2.074 8.933 1.00 0.00 N ATOM 95 CA SER A 7 0.005 -1.111 7.956 1.00 0.00 C ATOM 96 C SER A 7 1.119 -0.259 8.565 1.00 0.00 C ATOM 97 O SER A 7 0.883 0.499 9.505 1.00 0.00 O ATOM 98 CB SER A 7 -1.134 -0.219 7.458 1.00 0.00 C ATOM 99 OG SER A 7 -1.650 0.615 8.492 1.00 0.00 O ATOM 0 H SER A 7 -1.476 -2.031 9.119 1.00 0.00 H new ATOM 0 HA SER A 7 0.401 -1.659 7.101 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.776 0.402 6.637 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.935 -0.842 7.061 1.00 0.00 H new ATOM 0 HG SER A 7 -0.957 0.763 9.169 1.00 0.00 H new ATOM 105 N ALA A 8 2.310 -0.411 8.005 1.00 0.00 N ATOM 106 CA ALA A 8 3.462 0.336 8.482 1.00 0.00 C ATOM 107 C ALA A 8 4.741 -0.313 7.948 1.00 0.00 C ATOM 108 O ALA A 8 5.218 0.041 6.871 1.00 0.00 O ATOM 109 CB ALA A 8 3.434 0.398 10.010 1.00 0.00 C ATOM 0 H ALA A 8 2.502 -1.040 7.226 1.00 0.00 H new ATOM 0 HA ALA A 8 3.434 1.362 8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.298 0.958 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.520 0.893 10.337 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.464 -0.613 10.416 1.00 0.00 H new ATOM 115 N ASN A 9 5.260 -1.251 8.726 1.00 0.00 N ATOM 116 CA ASN A 9 6.475 -1.952 8.346 1.00 0.00 C ATOM 117 C ASN A 9 6.370 -2.387 6.882 1.00 0.00 C ATOM 118 O ASN A 9 7.260 -2.104 6.082 1.00 0.00 O ATOM 119 CB ASN A 9 6.677 -3.206 9.198 1.00 0.00 C ATOM 120 CG ASN A 9 8.161 -3.442 9.484 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.816 -4.265 8.866 1.00 0.00 O ATOM 122 ND2 ASN A 9 8.654 -2.675 10.452 1.00 0.00 N ATOM 0 H ASN A 9 4.861 -1.542 9.618 1.00 0.00 H new ATOM 0 HA ASN A 9 7.316 -1.275 8.496 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.134 -3.103 10.137 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.260 -4.071 8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.636 -2.756 10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.051 -2.006 10.930 1.00 0.00 H new ATOM 129 N GLN A 10 5.274 -3.067 6.577 1.00 0.00 N ATOM 130 CA GLN A 10 5.042 -3.544 5.224 1.00 0.00 C ATOM 131 C GLN A 10 4.896 -2.362 4.263 1.00 0.00 C ATOM 132 O GLN A 10 5.218 -2.475 3.082 1.00 0.00 O ATOM 133 CB GLN A 10 3.812 -4.452 5.167 1.00 0.00 C ATOM 134 CG GLN A 10 2.585 -3.752 5.755 1.00 0.00 C ATOM 135 CD GLN A 10 1.812 -4.689 6.685 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.657 -5.014 6.461 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.511 -5.105 7.737 1.00 0.00 N ATOM 0 H GLN A 10 4.537 -3.299 7.243 1.00 0.00 H new ATOM 0 HA GLN A 10 5.904 -4.135 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.613 -4.736 4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.009 -5.372 5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.897 -2.864 6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.933 -3.415 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.474 -4.794 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.084 -5.735 8.416 1.00 0.00 H new ATOM 146 N CYS A 11 4.410 -1.255 4.806 1.00 0.00 N ATOM 147 CA CYS A 11 4.218 -0.054 4.011 1.00 0.00 C ATOM 148 C CYS A 11 5.214 1.004 4.491 1.00 0.00 C ATOM 149 O CYS A 11 4.849 2.163 4.684 1.00 0.00 O ATOM 150 CB CYS A 11 2.774 0.447 4.084 1.00 0.00 C ATOM 151 SG CYS A 11 1.526 -0.853 4.403 1.00 0.00 S ATOM 0 H CYS A 11 4.144 -1.165 5.786 1.00 0.00 H new ATOM 0 HA CYS A 11 4.404 -0.276 2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.704 1.199 4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.529 0.944 3.145 1.00 0.00 H new ATOM 156 N ALA A 12 6.452 0.567 4.671 1.00 0.00 N ATOM 157 CA ALA A 12 7.503 1.462 5.124 1.00 0.00 C ATOM 158 C ALA A 12 8.537 1.634 4.009 1.00 0.00 C ATOM 159 O ALA A 12 9.737 1.502 4.245 1.00 0.00 O ATOM 160 CB ALA A 12 8.120 0.913 6.412 1.00 0.00 C ATOM 0 H ALA A 12 6.751 -0.395 4.511 1.00 0.00 H new ATOM 0 HA ALA A 12 7.097 2.448 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.909 1.584 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.351 0.838 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.541 -0.074 6.222 1.00 0.00 H new ATOM 166 N VAL A 13 8.033 1.927 2.819 1.00 0.00 N ATOM 167 CA VAL A 13 8.898 2.119 1.668 1.00 0.00 C ATOM 168 C VAL A 13 9.297 3.593 1.574 1.00 0.00 C ATOM 169 O VAL A 13 8.532 4.472 1.967 1.00 0.00 O ATOM 170 CB VAL A 13 8.207 1.605 0.403 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.205 0.909 -0.524 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.043 0.676 0.753 1.00 0.00 C ATOM 0 H VAL A 13 7.037 2.036 2.627 1.00 0.00 H new ATOM 0 HA VAL A 13 9.815 1.541 1.780 1.00 0.00 H new ATOM 0 HB VAL A 13 7.801 2.465 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.687 0.554 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.985 1.613 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.655 0.063 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.569 0.325 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.416 -0.178 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.313 1.218 1.354 1.00 0.00 H new ATOM 182 N PRO A 14 10.526 3.823 1.039 1.00 0.00 N ATOM 183 CA PRO A 14 11.036 5.175 0.889 1.00 0.00 C ATOM 184 C PRO A 14 10.355 5.892 -0.278 1.00 0.00 C ATOM 185 O PRO A 14 10.682 7.038 -0.584 1.00 0.00 O ATOM 186 CB PRO A 14 12.534 5.011 0.693 1.00 0.00 C ATOM 187 CG PRO A 14 12.744 3.565 0.276 1.00 0.00 C ATOM 188 CD PRO A 14 11.459 2.805 0.563 1.00 0.00 C ATOM 0 HA PRO A 14 10.828 5.802 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.905 5.695 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.075 5.235 1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.994 3.506 -0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.577 3.127 0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.083 2.310 -0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.616 2.030 1.313 1.00 0.00 H new ATOM 196 N ALA A 15 9.420 5.188 -0.899 1.00 0.00 N ATOM 197 CA ALA A 15 8.689 5.742 -2.026 1.00 0.00 C ATOM 198 C ALA A 15 9.455 5.450 -3.318 1.00 0.00 C ATOM 199 O ALA A 15 8.882 5.485 -4.405 1.00 0.00 O ATOM 200 CB ALA A 15 8.469 7.240 -1.805 1.00 0.00 C ATOM 0 H ALA A 15 9.152 4.238 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 15 7.707 5.277 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.921 7.656 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.896 7.393 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.433 7.740 -1.717 1.00 0.00 H new ATOM 206 N LYS A 16 10.740 5.169 -3.156 1.00 0.00 N ATOM 207 CA LYS A 16 11.590 4.871 -4.296 1.00 0.00 C ATOM 208 C LYS A 16 11.604 3.360 -4.535 1.00 0.00 C ATOM 209 O LYS A 16 12.360 2.867 -5.371 1.00 0.00 O ATOM 210 CB LYS A 16 12.982 5.475 -4.098 1.00 0.00 C ATOM 211 CG LYS A 16 13.655 4.905 -2.848 1.00 0.00 C ATOM 212 CD LYS A 16 13.897 3.401 -2.994 1.00 0.00 C ATOM 213 CE LYS A 16 15.095 2.955 -2.154 1.00 0.00 C ATOM 214 NZ LYS A 16 14.854 1.613 -1.578 1.00 0.00 N ATOM 0 H LYS A 16 11.213 5.141 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 16 11.192 5.333 -5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.599 5.270 -4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.903 6.559 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.603 5.415 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.029 5.093 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.007 2.854 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.072 3.157 -4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.993 2.936 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.274 3.674 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.691 1.311 -1.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.029 1.650 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.673 0.934 -2.344 1.00 0.00 H new ATOM 228 N ASP A 17 10.760 2.666 -3.786 1.00 0.00 N ATOM 229 CA ASP A 17 10.666 1.221 -3.906 1.00 0.00 C ATOM 230 C ASP A 17 9.194 0.818 -4.023 1.00 0.00 C ATOM 231 O ASP A 17 8.839 -0.330 -3.763 1.00 0.00 O ATOM 232 CB ASP A 17 11.249 0.527 -2.674 1.00 0.00 C ATOM 233 CG ASP A 17 12.483 -0.337 -2.942 1.00 0.00 C ATOM 234 OD1 ASP A 17 13.509 0.250 -3.347 1.00 0.00 O ATOM 235 OD2 ASP A 17 12.372 -1.565 -2.735 1.00 0.00 O ATOM 0 H ASP A 17 10.135 3.078 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 17 11.228 0.919 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.509 1.287 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.476 -0.099 -2.228 1.00 0.00 H new ATOM 240 N ARG A 18 8.378 1.786 -4.416 1.00 0.00 N ATOM 241 CA ARG A 18 6.954 1.546 -4.571 1.00 0.00 C ATOM 242 C ARG A 18 6.685 0.751 -5.850 1.00 0.00 C ATOM 243 O ARG A 18 7.118 1.144 -6.932 1.00 0.00 O ATOM 244 CB ARG A 18 6.177 2.863 -4.625 1.00 0.00 C ATOM 245 CG ARG A 18 6.690 3.847 -3.572 1.00 0.00 C ATOM 246 CD ARG A 18 6.073 3.554 -2.202 1.00 0.00 C ATOM 247 NE ARG A 18 5.707 4.822 -1.531 1.00 0.00 N ATOM 248 CZ ARG A 18 5.606 4.966 -0.203 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.843 3.924 0.605 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.268 6.154 0.318 1.00 0.00 N ATOM 0 H ARG A 18 8.676 2.737 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 18 6.618 0.973 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.272 3.305 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.117 2.671 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.776 3.782 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.449 4.866 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.190 2.926 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.780 2.998 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 18 5.520 5.636 -2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.101 3.020 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.766 4.035 1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.088 6.948 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.191 6.264 1.329 1.00 0.00 H new ATOM 264 N VAL A 19 5.973 -0.354 -5.684 1.00 0.00 N ATOM 265 CA VAL A 19 5.642 -1.208 -6.811 1.00 0.00 C ATOM 266 C VAL A 19 4.320 -0.744 -7.426 1.00 0.00 C ATOM 267 O VAL A 19 3.865 -1.303 -8.423 1.00 0.00 O ATOM 268 CB VAL A 19 5.615 -2.672 -6.368 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.219 -3.589 -7.528 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.960 -3.091 -5.773 1.00 0.00 C ATOM 0 H VAL A 19 5.616 -0.677 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 19 6.405 -1.131 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 19 4.859 -2.771 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.208 -4.624 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.227 -3.314 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.940 -3.483 -8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.913 -4.136 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.743 -2.967 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.184 -2.469 -4.907 1.00 0.00 H new ATOM 280 N ASP A 20 3.740 0.273 -6.806 1.00 0.00 N ATOM 281 CA ASP A 20 2.479 0.818 -7.279 1.00 0.00 C ATOM 282 C ASP A 20 1.573 -0.327 -7.736 1.00 0.00 C ATOM 283 O ASP A 20 1.607 -0.724 -8.900 1.00 0.00 O ATOM 284 CB ASP A 20 2.696 1.753 -8.471 1.00 0.00 C ATOM 285 CG ASP A 20 1.436 2.079 -9.275 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.399 2.335 -8.626 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.539 2.064 -10.521 1.00 0.00 O ATOM 0 H ASP A 20 4.120 0.734 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 20 2.024 1.376 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.129 2.685 -8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.429 1.301 -9.140 1.00 0.00 H new ATOM 292 N CYS A 21 0.785 -0.827 -6.795 1.00 0.00 N ATOM 293 CA CYS A 21 -0.129 -1.918 -7.087 1.00 0.00 C ATOM 294 C CYS A 21 -1.193 -1.408 -8.061 1.00 0.00 C ATOM 295 O CYS A 21 -1.913 -2.198 -8.669 1.00 0.00 O ATOM 296 CB CYS A 21 -0.751 -2.491 -5.812 1.00 0.00 C ATOM 297 SG CYS A 21 -0.634 -1.403 -4.345 1.00 0.00 S ATOM 0 H CYS A 21 0.761 -0.497 -5.830 1.00 0.00 H new ATOM 0 HA CYS A 21 0.419 -2.740 -7.548 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.802 -2.708 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.266 -3.440 -5.583 1.00 0.00 H new ATOM 302 N GLY A 22 -1.257 -0.090 -8.179 1.00 0.00 N ATOM 303 CA GLY A 22 -2.221 0.536 -9.068 1.00 0.00 C ATOM 304 C GLY A 22 -3.644 0.390 -8.525 1.00 0.00 C ATOM 305 O GLY A 22 -4.247 -0.676 -8.633 1.00 0.00 O ATOM 0 H GLY A 22 -0.657 0.562 -7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.980 1.592 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.157 0.082 -10.057 1.00 0.00 H new ATOM 309 N TYR A 23 -4.139 1.478 -7.954 1.00 0.00 N ATOM 310 CA TYR A 23 -5.480 1.485 -7.393 1.00 0.00 C ATOM 311 C TYR A 23 -6.177 2.821 -7.658 1.00 0.00 C ATOM 312 O TYR A 23 -5.534 3.870 -7.670 1.00 0.00 O ATOM 313 CB TYR A 23 -5.307 1.304 -5.884 1.00 0.00 C ATOM 314 CG TYR A 23 -5.216 -0.158 -5.440 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.354 -0.937 -5.394 1.00 0.00 C ATOM 316 CD2 TYR A 23 -3.996 -0.696 -5.084 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.268 -2.312 -4.976 1.00 0.00 C ATOM 318 CE2 TYR A 23 -3.910 -2.071 -4.666 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.051 -2.812 -4.633 1.00 0.00 C ATOM 320 OH TYR A 23 -4.970 -4.111 -4.238 1.00 0.00 O ATOM 0 H TYR A 23 -3.636 2.361 -7.868 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.088 0.699 -7.841 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.405 1.826 -5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.146 1.777 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.309 -0.515 -5.671 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.106 -0.086 -5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.151 -2.933 -4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.962 -2.505 -4.385 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.127 -4.255 -3.759 1.00 0.00 H new ATOM 330 N PRO A 24 -7.518 2.737 -7.869 1.00 0.00 N ATOM 331 CA PRO A 24 -8.310 3.927 -8.132 1.00 0.00 C ATOM 332 C PRO A 24 -8.527 4.736 -6.852 1.00 0.00 C ATOM 333 O PRO A 24 -7.786 5.678 -6.575 1.00 0.00 O ATOM 334 CB PRO A 24 -9.606 3.411 -8.735 1.00 0.00 C ATOM 335 CG PRO A 24 -9.684 1.940 -8.361 1.00 0.00 C ATOM 336 CD PRO A 24 -8.313 1.513 -7.862 1.00 0.00 C ATOM 0 HA PRO A 24 -7.816 4.619 -8.814 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.464 3.959 -8.345 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.611 3.539 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.437 1.782 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.980 1.342 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.372 1.085 -6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.875 0.753 -8.509 1.00 0.00 H new ATOM 344 N HIS A 25 -9.546 4.338 -6.104 1.00 0.00 N ATOM 345 CA HIS A 25 -9.870 5.014 -4.860 1.00 0.00 C ATOM 346 C HIS A 25 -8.950 4.509 -3.747 1.00 0.00 C ATOM 347 O HIS A 25 -9.329 3.631 -2.973 1.00 0.00 O ATOM 348 CB HIS A 25 -11.354 4.851 -4.523 1.00 0.00 C ATOM 349 CG HIS A 25 -11.732 3.459 -4.076 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.895 3.186 -3.377 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.091 2.266 -4.237 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.940 1.885 -3.132 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.821 1.316 -3.665 1.00 0.00 N ATOM 0 H HIS A 25 -10.158 3.556 -6.336 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.698 6.085 -4.968 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.617 5.558 -3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.946 5.114 -5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.149 2.119 -4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.725 1.366 -2.603 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.584 0.325 -3.630 1.00 0.00 H new ATOM 362 N VAL A 26 -7.758 5.086 -3.701 1.00 0.00 N ATOM 363 CA VAL A 26 -6.781 4.705 -2.695 1.00 0.00 C ATOM 364 C VAL A 26 -6.940 5.606 -1.469 1.00 0.00 C ATOM 365 O VAL A 26 -7.120 6.816 -1.602 1.00 0.00 O ATOM 366 CB VAL A 26 -5.372 4.750 -3.291 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.198 3.675 -4.366 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.056 6.139 -3.849 1.00 0.00 C ATOM 0 H VAL A 26 -7.447 5.814 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.949 3.679 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.663 4.542 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.189 3.728 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.360 2.691 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.921 3.839 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.049 6.143 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.774 6.389 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.120 6.876 -3.048 1.00 0.00 H new ATOM 378 N THR A 27 -6.867 4.982 -0.302 1.00 0.00 N ATOM 379 CA THR A 27 -7.000 5.713 0.947 1.00 0.00 C ATOM 380 C THR A 27 -6.237 5.001 2.065 1.00 0.00 C ATOM 381 O THR A 27 -5.777 3.874 1.888 1.00 0.00 O ATOM 382 CB THR A 27 -8.493 5.879 1.240 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.864 4.650 1.859 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.339 5.925 -0.034 1.00 0.00 C ATOM 0 H THR A 27 -6.718 3.979 -0.195 1.00 0.00 H new ATOM 0 HA THR A 27 -6.556 6.706 0.874 1.00 0.00 H new ATOM 0 HB THR A 27 -8.651 6.793 1.813 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.496 4.828 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.390 6.044 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.023 6.767 -0.650 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.208 4.998 -0.591 1.00 0.00 H new ATOM 392 N PRO A 28 -6.123 5.706 3.222 1.00 0.00 N ATOM 393 CA PRO A 28 -5.423 5.153 4.370 1.00 0.00 C ATOM 394 C PRO A 28 -6.268 4.084 5.064 1.00 0.00 C ATOM 395 O PRO A 28 -6.286 4.002 6.291 1.00 0.00 O ATOM 396 CB PRO A 28 -5.126 6.348 5.262 1.00 0.00 C ATOM 397 CG PRO A 28 -6.072 7.450 4.812 1.00 0.00 C ATOM 398 CD PRO A 28 -6.655 7.043 3.469 1.00 0.00 C ATOM 0 HA PRO A 28 -4.502 4.640 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.285 6.101 6.312 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.087 6.661 5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.866 7.595 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.541 8.398 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.745 7.036 3.496 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.360 7.738 2.683 1.00 0.00 H new ATOM 406 N LYS A 29 -6.947 3.290 4.249 1.00 0.00 N ATOM 407 CA LYS A 29 -7.792 2.229 4.770 1.00 0.00 C ATOM 408 C LYS A 29 -8.403 1.450 3.603 1.00 0.00 C ATOM 409 O LYS A 29 -8.475 0.223 3.641 1.00 0.00 O ATOM 410 CB LYS A 29 -8.830 2.797 5.740 1.00 0.00 C ATOM 411 CG LYS A 29 -9.265 1.741 6.758 1.00 0.00 C ATOM 412 CD LYS A 29 -10.702 1.285 6.494 1.00 0.00 C ATOM 413 CE LYS A 29 -11.707 2.318 7.006 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.364 3.008 5.873 1.00 0.00 N ATOM 0 H LYS A 29 -6.929 3.360 3.232 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.200 1.522 5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.413 3.659 6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.698 3.150 5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.593 0.884 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.188 2.149 7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.847 1.129 5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.879 0.327 6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.458 1.828 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.199 3.046 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.244 3.455 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.726 3.737 5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.584 2.318 5.127 1.00 0.00 H new ATOM 428 N GLU A 30 -8.828 2.196 2.593 1.00 0.00 N ATOM 429 CA GLU A 30 -9.430 1.591 1.418 1.00 0.00 C ATOM 430 C GLU A 30 -8.352 0.962 0.533 1.00 0.00 C ATOM 431 O GLU A 30 -8.557 -0.110 -0.034 1.00 0.00 O ATOM 432 CB GLU A 30 -10.253 2.616 0.634 1.00 0.00 C ATOM 433 CG GLU A 30 -11.009 1.949 -0.516 1.00 0.00 C ATOM 434 CD GLU A 30 -12.503 2.273 -0.453 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.843 3.440 -0.745 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.270 1.347 -0.113 1.00 0.00 O ATOM 0 H GLU A 30 -8.767 3.214 2.565 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.108 0.803 1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.960 3.107 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.595 3.391 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.600 2.286 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.865 0.869 -0.472 1.00 0.00 H new ATOM 443 N CYS A 31 -7.227 1.656 0.442 1.00 0.00 N ATOM 444 CA CYS A 31 -6.116 1.178 -0.364 1.00 0.00 C ATOM 445 C CYS A 31 -5.465 0.001 0.365 1.00 0.00 C ATOM 446 O CYS A 31 -4.892 -0.885 -0.267 1.00 0.00 O ATOM 447 CB CYS A 31 -5.111 2.293 -0.659 1.00 0.00 C ATOM 448 SG CYS A 31 -3.406 1.720 -0.994 1.00 0.00 S ATOM 0 H CYS A 31 -7.061 2.545 0.913 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.484 0.844 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.463 2.862 -1.519 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.089 2.977 0.189 1.00 0.00 H new ATOM 453 N ASN A 32 -5.575 0.030 1.685 1.00 0.00 N ATOM 454 CA ASN A 32 -5.003 -1.024 2.507 1.00 0.00 C ATOM 455 C ASN A 32 -6.045 -2.125 2.713 1.00 0.00 C ATOM 456 O ASN A 32 -5.751 -3.159 3.311 1.00 0.00 O ATOM 457 CB ASN A 32 -4.600 -0.491 3.883 1.00 0.00 C ATOM 458 CG ASN A 32 -3.954 0.892 3.768 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.541 1.840 3.273 1.00 0.00 O ATOM 460 ND2 ASN A 32 -2.717 0.953 4.253 1.00 0.00 N ATOM 0 H ASN A 32 -6.051 0.766 2.206 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.120 -1.409 1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.478 -0.434 4.526 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.903 -1.184 4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.201 1.832 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.285 0.121 4.654 1.00 0.00 H new ATOM 467 N ASN A 33 -7.242 -1.866 2.207 1.00 0.00 N ATOM 468 CA ASN A 33 -8.329 -2.823 2.328 1.00 0.00 C ATOM 469 C ASN A 33 -8.467 -3.600 1.017 1.00 0.00 C ATOM 470 O ASN A 33 -8.675 -4.812 1.029 1.00 0.00 O ATOM 471 CB ASN A 33 -9.657 -2.115 2.600 1.00 0.00 C ATOM 472 CG ASN A 33 -10.818 -3.112 2.611 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.026 -3.852 3.559 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.559 -3.092 1.507 1.00 0.00 N ATOM 0 H ASN A 33 -7.483 -1.007 1.712 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.100 -3.491 3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.608 -1.598 3.558 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.832 -1.356 1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.357 -3.721 1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.330 -2.447 0.751 1.00 0.00 H new ATOM 481 N ARG A 34 -8.345 -2.870 -0.082 1.00 0.00 N ATOM 482 CA ARG A 34 -8.454 -3.476 -1.398 1.00 0.00 C ATOM 483 C ARG A 34 -7.457 -4.629 -1.536 1.00 0.00 C ATOM 484 O ARG A 34 -7.659 -5.535 -2.343 1.00 0.00 O ATOM 485 CB ARG A 34 -8.191 -2.449 -2.501 1.00 0.00 C ATOM 486 CG ARG A 34 -9.129 -2.667 -3.689 1.00 0.00 C ATOM 487 CD ARG A 34 -10.589 -2.715 -3.234 1.00 0.00 C ATOM 488 NE ARG A 34 -11.076 -4.112 -3.240 1.00 0.00 N ATOM 489 CZ ARG A 34 -11.401 -4.790 -4.350 1.00 0.00 C ATOM 490 NH1 ARG A 34 -11.293 -4.203 -5.549 1.00 0.00 N ATOM 491 NH2 ARG A 34 -11.834 -6.055 -4.260 1.00 0.00 N ATOM 0 H ARG A 34 -8.172 -1.865 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.470 -3.855 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.327 -1.443 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.155 -2.524 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.997 -1.864 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.871 -3.598 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.680 -2.294 -2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.204 -2.104 -3.894 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.170 -4.589 -2.343 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.963 -3.240 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.540 -4.719 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.916 -6.502 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.081 -6.571 -5.105 1.00 0.00 H new ATOM 505 N GLY A 35 -6.403 -4.556 -0.737 1.00 0.00 N ATOM 506 CA GLY A 35 -5.374 -5.582 -0.759 1.00 0.00 C ATOM 507 C GLY A 35 -4.034 -5.005 -1.220 1.00 0.00 C ATOM 508 O GLY A 35 -3.594 -5.264 -2.339 1.00 0.00 O ATOM 0 H GLY A 35 -6.239 -3.802 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.265 -6.014 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.675 -6.390 -1.426 1.00 0.00 H new ATOM 512 N CYS A 36 -3.423 -4.233 -0.333 1.00 0.00 N ATOM 513 CA CYS A 36 -2.142 -3.616 -0.635 1.00 0.00 C ATOM 514 C CYS A 36 -1.786 -2.664 0.508 1.00 0.00 C ATOM 515 O CYS A 36 -2.245 -2.842 1.635 1.00 0.00 O ATOM 516 CB CYS A 36 -2.162 -2.902 -1.988 1.00 0.00 C ATOM 517 SG CYS A 36 -0.733 -3.267 -3.070 1.00 0.00 S ATOM 0 H CYS A 36 -3.791 -4.021 0.594 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.375 -4.386 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.077 -3.175 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.203 -1.827 -1.815 1.00 0.00 H new ATOM 522 N CYS A 37 -0.971 -1.673 0.178 1.00 0.00 N ATOM 523 CA CYS A 37 -0.549 -0.692 1.163 1.00 0.00 C ATOM 524 C CYS A 37 -0.868 0.703 0.620 1.00 0.00 C ATOM 525 O CYS A 37 -0.849 0.920 -0.590 1.00 0.00 O ATOM 526 CB CYS A 37 0.933 -0.843 1.513 1.00 0.00 C ATOM 527 SG CYS A 37 1.289 -2.049 2.842 1.00 0.00 S ATOM 0 H CYS A 37 -0.592 -1.528 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.093 -0.851 2.094 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.475 -1.142 0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.322 0.130 1.811 1.00 0.00 H new ATOM 532 N PHE A 38 -1.152 1.611 1.542 1.00 0.00 N ATOM 533 CA PHE A 38 -1.475 2.978 1.171 1.00 0.00 C ATOM 534 C PHE A 38 -0.422 3.953 1.701 1.00 0.00 C ATOM 535 O PHE A 38 0.474 3.560 2.447 1.00 0.00 O ATOM 536 CB PHE A 38 -2.826 3.308 1.809 1.00 0.00 C ATOM 537 CG PHE A 38 -3.247 4.771 1.652 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.857 5.184 0.510 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.010 5.658 2.656 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.248 6.542 0.365 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.401 7.015 2.511 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.012 7.428 1.368 1.00 0.00 C ATOM 0 H PHE A 38 -1.165 1.427 2.545 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.505 3.072 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.591 2.671 1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.784 3.064 2.871 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.044 4.480 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.524 5.330 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.733 6.870 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.213 7.719 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.310 8.460 1.258 1.00 0.00 H new ATOM 552 N ASP A 39 -0.564 5.206 1.296 1.00 0.00 N ATOM 553 CA ASP A 39 0.364 6.241 1.721 1.00 0.00 C ATOM 554 C ASP A 39 -0.091 7.590 1.161 1.00 0.00 C ATOM 555 O ASP A 39 -0.587 7.664 0.037 1.00 0.00 O ATOM 556 CB ASP A 39 1.775 5.964 1.198 1.00 0.00 C ATOM 557 CG ASP A 39 2.763 7.120 1.360 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.380 7.192 2.445 1.00 0.00 O ATOM 559 OD2 ASP A 39 2.880 7.907 0.396 1.00 0.00 O ATOM 0 H ASP A 39 -1.308 5.529 0.678 1.00 0.00 H new ATOM 0 HA ASP A 39 0.379 6.253 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.173 5.091 1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.710 5.707 0.141 1.00 0.00 H new ATOM 564 N SER A 40 0.093 8.623 1.969 1.00 0.00 N ATOM 565 CA SER A 40 -0.292 9.965 1.569 1.00 0.00 C ATOM 566 C SER A 40 0.834 10.951 1.889 1.00 0.00 C ATOM 567 O SER A 40 0.626 12.163 1.870 1.00 0.00 O ATOM 568 CB SER A 40 -1.587 10.396 2.260 1.00 0.00 C ATOM 569 OG SER A 40 -1.427 10.506 3.672 1.00 0.00 O ATOM 0 H SER A 40 0.504 8.557 2.900 1.00 0.00 H new ATOM 0 HA SER A 40 -0.469 9.963 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.912 11.355 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.373 9.674 2.039 1.00 0.00 H new ATOM 0 HG SER A 40 -2.275 10.785 4.077 1.00 0.00 H new ATOM 575 N ARG A 41 2.001 10.393 2.175 1.00 0.00 N ATOM 576 CA ARG A 41 3.160 11.208 2.498 1.00 0.00 C ATOM 577 C ARG A 41 3.524 12.108 1.315 1.00 0.00 C ATOM 578 O ARG A 41 3.733 13.308 1.485 1.00 0.00 O ATOM 579 CB ARG A 41 4.365 10.334 2.855 1.00 0.00 C ATOM 580 CG ARG A 41 5.237 11.010 3.915 1.00 0.00 C ATOM 581 CD ARG A 41 6.704 10.602 3.760 1.00 0.00 C ATOM 582 NE ARG A 41 7.512 11.198 4.847 1.00 0.00 N ATOM 583 CZ ARG A 41 8.852 11.194 4.875 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.541 10.626 3.876 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.502 11.759 5.902 1.00 0.00 N ATOM 0 H ARG A 41 2.169 9.387 2.190 1.00 0.00 H new ATOM 0 HA ARG A 41 2.903 11.823 3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.021 9.368 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.957 10.142 1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.146 12.093 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.883 10.738 4.909 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.792 9.516 3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.082 10.932 2.792 1.00 0.00 H new ATOM 0 HE ARG A 41 7.019 11.639 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.046 10.197 3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.561 10.623 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.977 12.192 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.522 11.756 5.924 1.00 0.00 H new ATOM 599 N ILE A 42 3.588 11.493 0.143 1.00 0.00 N ATOM 600 CA ILE A 42 3.922 12.224 -1.068 1.00 0.00 C ATOM 601 C ILE A 42 3.084 11.687 -2.230 1.00 0.00 C ATOM 602 O ILE A 42 2.988 10.476 -2.423 1.00 0.00 O ATOM 603 CB ILE A 42 5.430 12.176 -1.323 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.071 10.988 -0.602 1.00 0.00 C ATOM 605 CG2 ILE A 42 6.092 13.502 -0.944 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.509 9.663 -1.120 1.00 0.00 C ATOM 0 H ILE A 42 3.414 10.497 0.006 1.00 0.00 H new ATOM 0 HA ILE A 42 3.674 13.280 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 42 5.591 12.029 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.151 11.010 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.891 11.069 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.163 13.441 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.662 14.307 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.923 13.704 0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.982 8.836 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.432 9.634 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.712 9.574 -2.187 1.00 0.00 H new ATOM 618 N PRO A 43 2.484 12.639 -2.993 1.00 0.00 N ATOM 619 CA PRO A 43 1.657 12.274 -4.131 1.00 0.00 C ATOM 620 C PRO A 43 2.518 11.822 -5.312 1.00 0.00 C ATOM 621 O PRO A 43 2.145 10.905 -6.042 1.00 0.00 O ATOM 622 CB PRO A 43 0.837 13.517 -4.436 1.00 0.00 C ATOM 623 CG PRO A 43 1.562 14.671 -3.762 1.00 0.00 C ATOM 624 CD PRO A 43 2.575 14.082 -2.794 1.00 0.00 C ATOM 0 HA PRO A 43 1.006 11.425 -3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.759 13.679 -5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.179 13.418 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.061 15.294 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.855 15.310 -3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.580 14.448 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.344 14.355 -1.764 1.00 0.00 H new ATOM 632 N GLY A 44 3.655 12.486 -5.463 1.00 0.00 N ATOM 633 CA GLY A 44 4.572 12.164 -6.542 1.00 0.00 C ATOM 634 C GLY A 44 4.652 10.652 -6.761 1.00 0.00 C ATOM 635 O GLY A 44 4.581 10.180 -7.895 1.00 0.00 O ATOM 0 H GLY A 44 3.962 13.246 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.244 12.651 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.563 12.554 -6.310 1.00 0.00 H new ATOM 639 N VAL A 45 4.799 9.933 -5.658 1.00 0.00 N ATOM 640 CA VAL A 45 4.889 8.484 -5.715 1.00 0.00 C ATOM 641 C VAL A 45 3.480 7.888 -5.690 1.00 0.00 C ATOM 642 O VAL A 45 2.503 8.604 -5.475 1.00 0.00 O ATOM 643 CB VAL A 45 5.776 7.970 -4.579 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.813 9.019 -4.175 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.932 7.541 -3.376 1.00 0.00 C ATOM 0 H VAL A 45 4.858 10.327 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 45 5.359 8.167 -6.646 1.00 0.00 H new ATOM 0 HB VAL A 45 6.312 7.093 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.430 8.628 -3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.445 9.255 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.305 9.923 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.586 7.180 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.357 8.393 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.251 6.745 -3.675 1.00 0.00 H new ATOM 655 N PRO A 46 3.418 6.549 -5.918 1.00 0.00 N ATOM 656 CA PRO A 46 2.144 5.849 -5.924 1.00 0.00 C ATOM 657 C PRO A 46 1.613 5.666 -4.501 1.00 0.00 C ATOM 658 O PRO A 46 1.945 4.689 -3.831 1.00 0.00 O ATOM 659 CB PRO A 46 2.423 4.531 -6.628 1.00 0.00 C ATOM 660 CG PRO A 46 3.931 4.342 -6.576 1.00 0.00 C ATOM 661 CD PRO A 46 4.554 5.669 -6.176 1.00 0.00 C ATOM 0 HA PRO A 46 1.361 6.404 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.909 3.707 -6.133 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.068 4.556 -7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.194 3.565 -5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.309 4.020 -7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.181 5.561 -5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.189 6.064 -6.970 1.00 0.00 H new ATOM 669 N TRP A 47 0.797 6.621 -4.081 1.00 0.00 N ATOM 670 CA TRP A 47 0.217 6.578 -2.749 1.00 0.00 C ATOM 671 C TRP A 47 0.013 5.109 -2.370 1.00 0.00 C ATOM 672 O TRP A 47 0.458 4.671 -1.310 1.00 0.00 O ATOM 673 CB TRP A 47 -1.075 7.395 -2.687 1.00 0.00 C ATOM 674 CG TRP A 47 -0.868 8.856 -2.280 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.223 9.614 -2.452 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.828 9.709 -1.621 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.038 10.887 -1.954 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.249 10.947 -1.433 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.142 9.443 -1.198 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.910 12.017 -0.817 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.789 10.522 -0.584 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.220 11.775 -0.388 1.00 0.00 C ATOM 0 H TRP A 47 0.523 7.430 -4.639 1.00 0.00 H new ATOM 0 HA TRP A 47 0.887 7.036 -2.022 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.559 7.365 -3.663 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.757 6.924 -1.979 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.133 9.271 -2.922 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.720 11.645 -1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.615 8.482 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.435 12.977 -0.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.801 10.370 -0.238 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.786 12.559 0.093 1.00 0.00 H new ATOM 693 N CYS A 48 -0.658 4.390 -3.257 1.00 0.00 N ATOM 694 CA CYS A 48 -0.926 2.980 -3.028 1.00 0.00 C ATOM 695 C CYS A 48 0.196 2.167 -3.677 1.00 0.00 C ATOM 696 O CYS A 48 0.486 2.336 -4.860 1.00 0.00 O ATOM 697 CB CYS A 48 -2.304 2.573 -3.554 1.00 0.00 C ATOM 698 SG CYS A 48 -3.026 1.095 -2.753 1.00 0.00 S ATOM 0 H CYS A 48 -1.024 4.757 -4.135 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.946 2.780 -1.957 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.989 3.411 -3.423 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.228 2.388 -4.625 1.00 0.00 H new ATOM 703 N PHE A 49 0.796 1.301 -2.873 1.00 0.00 N ATOM 704 CA PHE A 49 1.880 0.461 -3.355 1.00 0.00 C ATOM 705 C PHE A 49 1.907 -0.877 -2.613 1.00 0.00 C ATOM 706 O PHE A 49 1.271 -1.027 -1.571 1.00 0.00 O ATOM 707 CB PHE A 49 3.184 1.211 -3.077 1.00 0.00 C ATOM 708 CG PHE A 49 3.284 1.783 -1.661 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.435 0.947 -0.599 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.222 3.127 -1.465 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.527 1.477 0.715 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.314 3.658 -0.151 1.00 0.00 C ATOM 713 CZ PHE A 49 3.465 2.822 0.911 1.00 0.00 C ATOM 0 H PHE A 49 0.552 1.163 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 49 1.748 0.255 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.023 0.535 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.283 2.026 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.485 -0.120 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.103 3.791 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.646 0.813 1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.264 4.726 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.536 3.226 1.910 1.00 0.00 H new ATOM 723 N LYS A 50 2.650 -1.816 -3.180 1.00 0.00 N ATOM 724 CA LYS A 50 2.769 -3.137 -2.586 1.00 0.00 C ATOM 725 C LYS A 50 3.564 -3.036 -1.283 1.00 0.00 C ATOM 726 O LYS A 50 4.238 -2.036 -1.039 1.00 0.00 O ATOM 727 CB LYS A 50 3.360 -4.126 -3.592 1.00 0.00 C ATOM 728 CG LYS A 50 2.659 -4.014 -4.948 1.00 0.00 C ATOM 729 CD LYS A 50 3.098 -5.140 -5.887 1.00 0.00 C ATOM 730 CE LYS A 50 2.292 -6.415 -5.627 1.00 0.00 C ATOM 731 NZ LYS A 50 2.200 -7.229 -6.860 1.00 0.00 N ATOM 0 H LYS A 50 3.176 -1.688 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 50 1.785 -3.529 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.426 -3.934 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.260 -5.142 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.579 -4.053 -4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.887 -3.049 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.966 -4.827 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.160 -5.342 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.764 -6.996 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.292 -6.156 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.650 -8.090 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.729 -6.678 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.156 -7.492 -7.175 1.00 0.00 H new ATOM 745 N PRO A 51 3.457 -4.113 -0.459 1.00 0.00 N ATOM 746 CA PRO A 51 4.158 -4.155 0.813 1.00 0.00 C ATOM 747 C PRO A 51 5.652 -4.417 0.607 1.00 0.00 C ATOM 748 O PRO A 51 6.033 -5.423 0.009 1.00 0.00 O ATOM 749 CB PRO A 51 3.467 -5.251 1.607 1.00 0.00 C ATOM 750 CG PRO A 51 2.715 -6.093 0.589 1.00 0.00 C ATOM 751 CD PRO A 51 2.669 -5.315 -0.716 1.00 0.00 C ATOM 0 HA PRO A 51 4.115 -3.207 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.192 -5.854 2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.785 -4.828 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.213 -7.052 0.444 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.706 -6.307 0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.088 -5.895 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.645 -5.065 -0.992 1.00 0.00 H new ATOM 759 N LEU A 52 6.457 -3.496 1.114 1.00 0.00 N ATOM 760 CA LEU A 52 7.900 -3.615 0.993 1.00 0.00 C ATOM 761 C LEU A 52 8.293 -5.092 1.062 1.00 0.00 C ATOM 762 O LEU A 52 7.725 -5.854 1.842 1.00 0.00 O ATOM 763 CB LEU A 52 8.599 -2.744 2.039 1.00 0.00 C ATOM 764 CG LEU A 52 10.116 -2.912 2.148 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.725 -1.829 3.040 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.478 -4.320 2.625 1.00 0.00 C ATOM 0 H LEU A 52 6.138 -2.664 1.610 1.00 0.00 H new ATOM 0 HA LEU A 52 8.233 -3.240 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.385 -1.699 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.159 -2.958 3.013 1.00 0.00 H new ATOM 0 HG LEU A 52 10.546 -2.788 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.804 -1.972 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.512 -0.847 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.294 -1.895 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.562 -4.413 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.035 -4.497 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.095 -5.054 1.916 1.00 0.00 H new ATOM 778 N GLN A 53 9.263 -5.452 0.234 1.00 0.00 N ATOM 779 CA GLN A 53 9.739 -6.824 0.191 1.00 0.00 C ATOM 780 C GLN A 53 10.337 -7.222 1.542 1.00 0.00 C ATOM 781 O GLN A 53 11.556 -7.223 1.709 1.00 0.00 O ATOM 782 CB GLN A 53 10.755 -7.017 -0.937 1.00 0.00 C ATOM 783 CG GLN A 53 10.089 -7.606 -2.181 1.00 0.00 C ATOM 784 CD GLN A 53 9.847 -6.526 -3.238 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.306 -6.611 -4.365 1.00 0.00 O ATOM 786 NE2 GLN A 53 9.104 -5.509 -2.812 1.00 0.00 N ATOM 0 H GLN A 53 9.732 -4.817 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 53 8.890 -7.476 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.214 -6.060 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.555 -7.677 -0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.719 -8.392 -2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.141 -8.069 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.751 -5.501 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.887 -4.737 -3.442 1.00 0.00 H new ATOM 795 N GLU A 54 9.452 -7.550 2.471 1.00 0.00 N ATOM 796 CA GLU A 54 9.877 -7.948 3.802 1.00 0.00 C ATOM 797 C GLU A 54 10.885 -9.096 3.716 1.00 0.00 C ATOM 798 O GLU A 54 10.511 -10.236 3.445 1.00 0.00 O ATOM 799 CB GLU A 54 8.677 -8.336 4.668 1.00 0.00 C ATOM 800 CG GLU A 54 8.050 -9.645 4.182 1.00 0.00 C ATOM 801 CD GLU A 54 8.425 -10.808 5.103 1.00 0.00 C ATOM 802 OE1 GLU A 54 8.049 -10.733 6.293 1.00 0.00 O ATOM 803 OE2 GLU A 54 9.078 -11.745 4.597 1.00 0.00 O ATOM 0 H GLU A 54 8.442 -7.548 2.328 1.00 0.00 H new ATOM 0 HA GLU A 54 10.365 -7.096 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.992 -8.443 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.933 -7.540 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.966 -9.541 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.385 -9.858 3.167 1.00 0.00 H new ATOM 810 N ALA A 55 12.144 -8.755 3.952 1.00 0.00 N ATOM 811 CA ALA A 55 13.208 -9.742 3.904 1.00 0.00 C ATOM 812 C ALA A 55 14.154 -9.524 5.087 1.00 0.00 C ATOM 813 O ALA A 55 14.505 -8.388 5.404 1.00 0.00 O ATOM 814 CB ALA A 55 13.928 -9.653 2.557 1.00 0.00 C ATOM 0 H ALA A 55 12.450 -7.808 4.177 1.00 0.00 H new ATOM 0 HA ALA A 55 12.801 -10.749 3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.727 -10.394 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.219 -9.845 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.352 -8.656 2.436 1.00 0.00 H new ATOM 820 N GLU A 56 14.541 -10.629 5.707 1.00 0.00 N ATOM 821 CA GLU A 56 15.439 -10.572 6.847 1.00 0.00 C ATOM 822 C GLU A 56 16.793 -9.995 6.428 1.00 0.00 C ATOM 823 O GLU A 56 17.450 -10.530 5.536 1.00 0.00 O ATOM 824 CB GLU A 56 15.605 -11.953 7.484 1.00 0.00 C ATOM 825 CG GLU A 56 15.278 -11.911 8.978 1.00 0.00 C ATOM 826 CD GLU A 56 13.766 -11.950 9.210 1.00 0.00 C ATOM 827 OE1 GLU A 56 13.134 -10.890 9.010 1.00 0.00 O ATOM 828 OE2 GLU A 56 13.277 -13.038 9.583 1.00 0.00 O ATOM 0 H GLU A 56 14.249 -11.569 5.441 1.00 0.00 H new ATOM 0 HA GLU A 56 15.001 -9.913 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.951 -12.668 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.628 -12.302 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.749 -12.756 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.694 -11.005 9.420 1.00 0.00 H new ATOM 835 N CYS A 57 17.170 -8.912 7.091 1.00 0.00 N ATOM 836 CA CYS A 57 18.434 -8.257 6.798 1.00 0.00 C ATOM 837 C CYS A 57 19.567 -9.230 7.131 1.00 0.00 C ATOM 838 O CYS A 57 19.335 -10.275 7.737 1.00 0.00 O ATOM 839 CB CYS A 57 18.575 -6.935 7.555 1.00 0.00 C ATOM 840 SG CYS A 57 18.466 -7.079 9.377 1.00 0.00 S ATOM 0 H CYS A 57 16.623 -8.471 7.830 1.00 0.00 H new ATOM 0 HA CYS A 57 18.477 -7.999 5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 57 19.534 -6.485 7.297 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.799 -6.251 7.211 1.00 0.00 H new ATOM 0 HG CYS A 57 18.601 -5.903 9.914 1.00 0.00 H new ATOM 845 N THR A 58 20.769 -8.851 6.721 1.00 0.00 N ATOM 846 CA THR A 58 21.939 -9.676 6.969 1.00 0.00 C ATOM 847 C THR A 58 21.596 -11.156 6.785 1.00 0.00 C ATOM 848 O THR A 58 21.576 -11.917 7.751 1.00 0.00 O ATOM 849 CB THR A 58 22.465 -9.343 8.366 1.00 0.00 C ATOM 850 OG1 THR A 58 23.382 -10.396 8.652 1.00 0.00 O ATOM 851 CG2 THR A 58 21.390 -9.483 9.446 1.00 0.00 C ATOM 0 H THR A 58 20.958 -7.983 6.219 1.00 0.00 H new ATOM 0 HA THR A 58 22.731 -9.466 6.250 1.00 0.00 H new ATOM 0 HB THR A 58 22.856 -8.326 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 58 22.889 -11.234 8.777 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.816 -9.235 10.418 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.565 -8.805 9.228 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.022 -10.509 9.462 1.00 0.00 H new ATOM 859 N PHE A 59 21.335 -11.519 5.538 1.00 0.00 N ATOM 860 CA PHE A 59 20.994 -12.894 5.215 1.00 0.00 C ATOM 861 C PHE A 59 19.812 -13.378 6.057 1.00 0.00 C ATOM 862 O PHE A 59 19.438 -12.735 7.037 1.00 0.00 O ATOM 863 CB PHE A 59 22.221 -13.748 5.542 1.00 0.00 C ATOM 864 CG PHE A 59 23.159 -13.969 4.353 1.00 0.00 C ATOM 865 CD1 PHE A 59 24.098 -13.035 4.045 1.00 0.00 C ATOM 866 CD2 PHE A 59 23.053 -15.100 3.605 1.00 0.00 C ATOM 867 CE1 PHE A 59 24.969 -13.241 2.942 1.00 0.00 C ATOM 868 CE2 PHE A 59 23.924 -15.306 2.502 1.00 0.00 C ATOM 869 CZ PHE A 59 24.863 -14.372 2.194 1.00 0.00 C ATOM 0 H PHE A 59 21.353 -10.885 4.739 1.00 0.00 H new ATOM 0 HA PHE A 59 20.713 -12.971 4.165 1.00 0.00 H new ATOM 0 HB2 PHE A 59 22.779 -13.271 6.348 1.00 0.00 H new ATOM 0 HB3 PHE A 59 21.888 -14.717 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 59 24.182 -12.137 4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 59 22.307 -15.841 3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 59 25.715 -12.500 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 59 23.840 -16.204 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 59 25.525 -14.528 1.355 1.00 0.00 H new TER 879 PHE A 59