USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00727) USER MOD Single : A 1 VAL N :NH3+ -111:sc= -0.0995 (180deg=-0.248) USER MOD Single : A 5 TYR OH : rot 98:sc= 1.28 USER MOD Single : A 8 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.827 K(o=0.83,f=-0.12) USER MOD Single : A 12 CYS SG : rot 46:sc= 1.06 USER MOD Single : A 15 HIS : no HD1:sc= -0.0885 X(o=-0.088,f=0) USER MOD Single : A 20 SER OG : rot 79:sc= 0.737 USER MOD Single : A 21 SER OG : rot 180:sc= 0.139 USER MOD Single : A 25 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 0.092 (180deg=-0.363) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.727 K(o=0.73,f=-2.3!) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0141) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -1.19! C(o=-2.7!,f=-1.2!) USER MOD Single : A 50 ASN : amide:sc= 1.03 K(o=1,f=-2.7!) USER MOD Single : A 55 ASN : amide:sc= 0.403 K(o=0.4,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.083 12.525 5.320 1.00 0.00 N ATOM 2 CA VAL A 1 5.889 11.159 4.772 1.00 0.00 C ATOM 3 C VAL A 1 4.814 10.434 5.534 1.00 0.00 C ATOM 4 O VAL A 1 4.470 10.803 6.659 1.00 0.00 O ATOM 5 CB VAL A 1 7.187 10.336 4.789 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.219 10.958 3.823 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.760 10.184 6.217 1.00 0.00 C ATOM 0 H1 VAL A 1 5.750 13.227 4.629 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.542 12.625 6.203 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.093 12.681 5.513 1.00 0.00 H new ATOM 0 HA VAL A 1 5.584 11.273 3.732 1.00 0.00 H new ATOM 0 HB VAL A 1 6.954 9.328 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.136 10.369 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.812 10.965 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.438 11.980 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.677 9.595 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.978 11.170 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.030 9.680 6.850 1.00 0.00 H new ATOM 19 N ARG A 2 4.270 9.356 4.930 1.00 0.00 N ATOM 20 CA ARG A 2 3.414 8.428 5.623 1.00 0.00 C ATOM 21 C ARG A 2 4.276 7.236 5.910 1.00 0.00 C ATOM 22 O ARG A 2 5.187 6.926 5.140 1.00 0.00 O ATOM 23 CB ARG A 2 2.216 7.861 4.813 1.00 0.00 C ATOM 24 CG ARG A 2 1.198 8.886 4.284 1.00 0.00 C ATOM 25 CD ARG A 2 1.586 9.515 2.936 1.00 0.00 C ATOM 26 NE ARG A 2 0.346 9.987 2.231 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.283 11.173 2.503 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.198 12.030 3.448 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.408 11.502 1.802 1.00 0.00 N ATOM 0 H ARG A 2 4.425 9.123 3.949 1.00 0.00 H new ATOM 0 HA ARG A 2 2.997 8.968 6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.612 7.304 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.685 7.147 5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.228 8.399 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.079 9.679 5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.268 10.350 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.113 8.786 2.320 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.051 9.389 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.042 11.793 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.287 12.908 3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.768 10.868 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.888 12.381 1.992 1.00 0.00 H new ATOM 43 N ASP A 3 3.949 6.492 6.985 1.00 0.00 N ATOM 44 CA ASP A 3 4.374 5.129 7.145 1.00 0.00 C ATOM 45 C ASP A 3 3.001 4.565 7.229 1.00 0.00 C ATOM 46 O ASP A 3 2.211 5.041 8.044 1.00 0.00 O ATOM 47 CB ASP A 3 5.154 4.812 8.447 1.00 0.00 C ATOM 48 CG ASP A 3 6.446 5.628 8.489 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.276 5.466 7.558 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.622 6.418 9.454 1.00 0.00 O ATOM 0 H ASP A 3 3.380 6.841 7.757 1.00 0.00 H new ATOM 0 HA ASP A 3 5.069 4.775 6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.538 5.044 9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.384 3.748 8.494 1.00 0.00 H new ATOM 55 N GLY A 4 2.623 3.659 6.311 1.00 0.00 N ATOM 56 CA GLY A 4 1.261 3.234 6.260 1.00 0.00 C ATOM 57 C GLY A 4 1.341 1.978 5.496 1.00 0.00 C ATOM 58 O GLY A 4 2.424 1.585 5.068 1.00 0.00 O ATOM 0 H GLY A 4 3.241 3.231 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.849 3.076 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.626 3.969 5.765 1.00 0.00 H new ATOM 62 N TYR A 5 0.179 1.351 5.242 1.00 0.00 N ATOM 63 CA TYR A 5 0.081 0.275 4.292 1.00 0.00 C ATOM 64 C TYR A 5 -0.123 0.989 2.996 1.00 0.00 C ATOM 65 O TYR A 5 -0.770 2.030 2.987 1.00 0.00 O ATOM 66 CB TYR A 5 -1.135 -0.657 4.518 1.00 0.00 C ATOM 67 CG TYR A 5 -0.836 -1.709 5.541 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.834 -1.404 6.910 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.562 -3.026 5.138 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.504 -2.384 7.853 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.257 -4.013 6.078 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.208 -3.689 7.443 1.00 0.00 C ATOM 73 OH TYR A 5 0.102 -4.658 8.424 1.00 0.00 O ATOM 0 H TYR A 5 -0.703 1.588 5.696 1.00 0.00 H new ATOM 0 HA TYR A 5 0.959 -0.367 4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.992 -0.067 4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.411 -1.131 3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.089 -0.407 7.238 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.587 -3.279 4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.478 -2.132 8.903 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.059 -5.024 5.755 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.698 -5.187 8.625 1.00 0.00 H new ATOM 83 N ILE A 6 0.432 0.479 1.882 1.00 0.00 N ATOM 84 CA ILE A 6 0.225 1.024 0.567 1.00 0.00 C ATOM 85 C ILE A 6 -0.968 0.314 -0.008 1.00 0.00 C ATOM 86 O ILE A 6 -1.224 -0.866 0.299 1.00 0.00 O ATOM 87 CB ILE A 6 1.462 0.988 -0.340 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.281 1.793 -1.656 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.930 -0.459 -0.575 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.554 2.012 -2.478 1.00 0.00 C ATOM 0 H ILE A 6 1.044 -0.337 1.891 1.00 0.00 H new ATOM 0 HA ILE A 6 0.034 2.095 0.640 1.00 0.00 H new ATOM 0 HB ILE A 6 2.263 1.504 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.552 1.276 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.857 2.766 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.808 -0.457 -1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.183 -0.919 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.131 -1.027 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.314 2.584 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.283 2.561 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.973 1.047 -2.764 1.00 0.00 H new ATOM 102 N ALA A 7 -1.692 1.087 -0.849 1.00 0.00 N ATOM 103 CA ALA A 7 -2.863 0.718 -1.554 1.00 0.00 C ATOM 104 C ALA A 7 -2.635 1.236 -2.927 1.00 0.00 C ATOM 105 O ALA A 7 -1.539 1.665 -3.272 1.00 0.00 O ATOM 106 CB ALA A 7 -4.116 1.457 -1.057 1.00 0.00 C ATOM 0 H ALA A 7 -1.422 2.051 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.026 -0.355 -1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.982 1.134 -1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.278 1.231 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.978 2.531 -1.181 1.00 0.00 H new ATOM 112 N GLN A 8 -3.727 1.309 -3.703 1.00 0.00 N ATOM 113 CA GLN A 8 -3.801 2.109 -4.888 1.00 0.00 C ATOM 114 C GLN A 8 -4.469 3.348 -4.369 1.00 0.00 C ATOM 115 O GLN A 8 -5.283 3.198 -3.452 1.00 0.00 O ATOM 116 CB GLN A 8 -4.721 1.474 -5.951 1.00 0.00 C ATOM 117 CG GLN A 8 -4.131 0.172 -6.501 1.00 0.00 C ATOM 118 CD GLN A 8 -5.223 -0.671 -7.157 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.451 -0.579 -8.366 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.906 -1.516 -6.332 1.00 0.00 N ATOM 0 H GLN A 8 -4.586 0.797 -3.503 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.830 2.251 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.700 1.275 -5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.874 2.179 -6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.350 0.397 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.662 -0.392 -5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.678 -1.554 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.645 -2.110 -6.709 1.00 0.00 H new ATOM 129 N PRO A 9 -4.183 4.545 -4.874 1.00 0.00 N ATOM 130 CA PRO A 9 -4.794 5.774 -4.400 1.00 0.00 C ATOM 131 C PRO A 9 -6.273 5.706 -4.716 1.00 0.00 C ATOM 132 O PRO A 9 -6.604 5.665 -5.899 1.00 0.00 O ATOM 133 CB PRO A 9 -4.087 6.898 -5.176 1.00 0.00 C ATOM 134 CG PRO A 9 -3.445 6.212 -6.387 1.00 0.00 C ATOM 135 CD PRO A 9 -3.153 4.800 -5.883 1.00 0.00 C ATOM 0 HA PRO A 9 -4.694 5.940 -3.327 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.795 7.666 -5.488 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.335 7.390 -4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.117 6.201 -7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.535 6.722 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.203 4.072 -6.693 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.153 4.731 -5.454 1.00 0.00 H new ATOM 143 N GLU A 10 -7.190 5.636 -3.726 1.00 0.00 N ATOM 144 CA GLU A 10 -6.996 5.719 -2.314 1.00 0.00 C ATOM 145 C GLU A 10 -7.998 4.733 -1.875 1.00 0.00 C ATOM 146 O GLU A 10 -8.883 4.417 -2.668 1.00 0.00 O ATOM 147 CB GLU A 10 -7.384 7.107 -1.746 1.00 0.00 C ATOM 148 CG GLU A 10 -6.226 7.779 -0.997 1.00 0.00 C ATOM 149 CD GLU A 10 -6.617 9.186 -0.555 1.00 0.00 C ATOM 150 OE1 GLU A 10 -6.963 10.009 -1.446 1.00 0.00 O ATOM 151 OE2 GLU A 10 -6.565 9.462 0.673 1.00 0.00 O ATOM 0 H GLU A 10 -8.177 5.506 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.965 5.556 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.708 7.753 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.233 6.996 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.953 7.181 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.348 7.825 -1.641 1.00 0.00 H new ATOM 158 N ASN A 11 -7.896 4.243 -0.617 1.00 0.00 N ATOM 159 CA ASN A 11 -8.986 3.563 0.072 1.00 0.00 C ATOM 160 C ASN A 11 -9.047 2.112 -0.320 1.00 0.00 C ATOM 161 O ASN A 11 -9.840 1.350 0.222 1.00 0.00 O ATOM 162 CB ASN A 11 -10.389 4.235 -0.129 1.00 0.00 C ATOM 163 CG ASN A 11 -11.309 4.202 1.096 1.00 0.00 C ATOM 164 OD1 ASN A 11 -11.715 5.260 1.589 1.00 0.00 O ATOM 165 ND2 ASN A 11 -11.636 2.991 1.605 1.00 0.00 N ATOM 0 H ASN A 11 -7.045 4.316 -0.060 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.755 3.649 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.238 5.274 -0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.896 3.740 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.239 2.929 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.280 2.141 1.168 1.00 0.00 H new ATOM 172 N CYS A 12 -8.202 1.717 -1.289 1.00 0.00 N ATOM 173 CA CYS A 12 -8.217 0.424 -1.937 1.00 0.00 C ATOM 174 C CYS A 12 -7.312 -0.485 -1.162 1.00 0.00 C ATOM 175 O CYS A 12 -7.235 -0.391 0.059 1.00 0.00 O ATOM 176 CB CYS A 12 -7.784 0.511 -3.424 1.00 0.00 C ATOM 177 SG CYS A 12 -8.736 1.767 -4.322 1.00 0.00 S ATOM 0 H CYS A 12 -7.466 2.326 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.234 0.033 -1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.722 0.748 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.920 -0.460 -3.901 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.787 2.858 -3.618 1.00 0.00 H new ATOM 182 N VAL A 13 -6.592 -1.382 -1.861 1.00 0.00 N ATOM 183 CA VAL A 13 -5.417 -2.045 -1.372 1.00 0.00 C ATOM 184 C VAL A 13 -4.621 -2.039 -2.638 1.00 0.00 C ATOM 185 O VAL A 13 -5.111 -1.540 -3.654 1.00 0.00 O ATOM 186 CB VAL A 13 -5.570 -3.462 -0.813 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.508 -3.439 0.402 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.089 -4.477 -1.849 1.00 0.00 C ATOM 0 H VAL A 13 -6.839 -1.659 -2.811 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.003 -1.553 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.573 -3.793 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.615 -4.449 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.091 -2.790 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.485 -3.062 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.173 -5.460 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.068 -4.161 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.394 -4.530 -2.687 1.00 0.00 H new ATOM 198 N TYR A 14 -3.399 -2.605 -2.603 1.00 0.00 N ATOM 199 CA TYR A 14 -2.641 -3.008 -3.747 1.00 0.00 C ATOM 200 C TYR A 14 -2.448 -4.412 -3.271 1.00 0.00 C ATOM 201 O TYR A 14 -2.560 -4.636 -2.065 1.00 0.00 O ATOM 202 CB TYR A 14 -1.242 -2.343 -3.895 1.00 0.00 C ATOM 203 CG TYR A 14 -1.038 -1.607 -5.193 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.527 -2.084 -6.427 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.263 -0.436 -5.188 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.296 -1.371 -7.611 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.030 0.278 -6.366 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.558 -0.179 -7.577 1.00 0.00 C ATOM 209 OH TYR A 14 -0.346 0.577 -8.747 1.00 0.00 O ATOM 0 H TYR A 14 -2.914 -2.791 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.109 -2.792 -4.708 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.095 -1.647 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.476 -3.113 -3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.085 -3.008 -6.460 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.159 -0.082 -4.259 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.686 -1.739 -8.549 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.558 1.183 -6.341 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.031 1.473 -8.505 1.00 0.00 H new ATOM 219 N HIS A 15 -2.201 -5.379 -4.175 1.00 0.00 N ATOM 220 CA HIS A 15 -2.163 -6.761 -3.777 1.00 0.00 C ATOM 221 C HIS A 15 -0.738 -7.126 -3.533 1.00 0.00 C ATOM 222 O HIS A 15 0.119 -6.991 -4.408 1.00 0.00 O ATOM 223 CB HIS A 15 -2.764 -7.731 -4.815 1.00 0.00 C ATOM 224 CG HIS A 15 -4.265 -7.626 -4.856 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.982 -7.391 -5.999 1.00 0.00 N ATOM 226 CD2 HIS A 15 -5.157 -7.784 -3.851 1.00 0.00 C ATOM 227 CE1 HIS A 15 -6.273 -7.401 -5.690 1.00 0.00 C ATOM 228 NE2 HIS A 15 -6.406 -7.639 -4.392 1.00 0.00 N ATOM 0 H HIS A 15 -2.030 -5.213 -5.167 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.777 -6.860 -2.882 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.355 -7.511 -5.801 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.475 -8.753 -4.571 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.927 -7.987 -2.816 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.085 -7.241 -6.384 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.288 -7.703 -3.884 1.00 0.00 H new ATOM 237 N CYS A 16 -0.472 -7.608 -2.302 1.00 0.00 N ATOM 238 CA CYS A 16 0.818 -8.097 -1.915 1.00 0.00 C ATOM 239 C CYS A 16 0.749 -9.567 -2.150 1.00 0.00 C ATOM 240 O CYS A 16 -0.293 -10.192 -1.956 1.00 0.00 O ATOM 241 CB CYS A 16 1.166 -7.808 -0.434 1.00 0.00 C ATOM 242 SG CYS A 16 2.955 -7.655 -0.135 1.00 0.00 S ATOM 0 H CYS A 16 -1.170 -7.659 -1.560 1.00 0.00 H new ATOM 0 HA CYS A 16 1.601 -7.600 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.672 -6.887 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.767 -8.608 0.189 1.00 0.00 H new ATOM 247 N PHE A 17 1.868 -10.153 -2.607 1.00 0.00 N ATOM 248 CA PHE A 17 1.965 -11.557 -2.859 1.00 0.00 C ATOM 249 C PHE A 17 2.921 -11.937 -1.776 1.00 0.00 C ATOM 250 O PHE A 17 3.997 -11.337 -1.791 1.00 0.00 O ATOM 251 CB PHE A 17 2.620 -11.870 -4.227 1.00 0.00 C ATOM 252 CG PHE A 17 1.725 -11.396 -5.345 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.798 -10.072 -5.819 1.00 0.00 C ATOM 254 CD2 PHE A 17 0.790 -12.271 -5.925 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.945 -9.631 -6.839 1.00 0.00 C ATOM 256 CE2 PHE A 17 -0.061 -11.834 -6.947 1.00 0.00 C ATOM 257 CZ PHE A 17 0.014 -10.513 -7.402 1.00 0.00 C ATOM 0 H PHE A 17 2.726 -9.640 -2.806 1.00 0.00 H new ATOM 0 HA PHE A 17 1.001 -12.066 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.592 -11.381 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.795 -12.942 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.518 -9.390 -5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.728 -13.292 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.005 -8.612 -7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.775 -12.516 -7.384 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.646 -10.174 -8.187 1.00 0.00 H new ATOM 267 N PRO A 18 2.641 -12.831 -0.824 1.00 0.00 N ATOM 268 CA PRO A 18 3.535 -13.093 0.293 1.00 0.00 C ATOM 269 C PRO A 18 4.880 -13.578 -0.180 1.00 0.00 C ATOM 270 O PRO A 18 4.948 -14.569 -0.902 1.00 0.00 O ATOM 271 CB PRO A 18 2.795 -14.144 1.122 1.00 0.00 C ATOM 272 CG PRO A 18 1.327 -13.742 0.949 1.00 0.00 C ATOM 273 CD PRO A 18 1.275 -13.269 -0.511 1.00 0.00 C ATOM 0 HA PRO A 18 3.757 -12.199 0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.984 -15.153 0.757 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.100 -14.122 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.654 -14.581 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.040 -12.951 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.958 -14.074 -1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.562 -12.454 -0.635 1.00 0.00 H new ATOM 281 N GLY A 19 5.946 -12.842 0.166 1.00 0.00 N ATOM 282 CA GLY A 19 7.209 -12.926 -0.508 1.00 0.00 C ATOM 283 C GLY A 19 7.552 -11.483 -0.584 1.00 0.00 C ATOM 284 O GLY A 19 8.561 -11.059 -0.025 1.00 0.00 O ATOM 0 H GLY A 19 5.935 -12.170 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.945 -13.501 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.127 -13.388 -1.492 1.00 0.00 H new ATOM 288 N SER A 20 6.617 -10.708 -1.183 1.00 0.00 N ATOM 289 CA SER A 20 6.491 -9.267 -1.210 1.00 0.00 C ATOM 290 C SER A 20 6.709 -8.767 -2.594 1.00 0.00 C ATOM 291 O SER A 20 6.165 -7.723 -2.947 1.00 0.00 O ATOM 292 CB SER A 20 7.331 -8.417 -0.228 1.00 0.00 C ATOM 293 OG SER A 20 7.281 -8.980 1.077 1.00 0.00 O ATOM 0 H SER A 20 5.860 -11.144 -1.710 1.00 0.00 H new ATOM 0 HA SER A 20 5.473 -9.122 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.364 -8.367 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.953 -7.395 -0.206 1.00 0.00 H new ATOM 0 HG SER A 20 7.892 -9.745 1.127 1.00 0.00 H new ATOM 299 N SER A 21 7.503 -9.500 -3.403 1.00 0.00 N ATOM 300 CA SER A 21 8.178 -9.068 -4.606 1.00 0.00 C ATOM 301 C SER A 21 7.416 -8.154 -5.532 1.00 0.00 C ATOM 302 O SER A 21 7.914 -7.098 -5.929 1.00 0.00 O ATOM 303 CB SER A 21 8.677 -10.306 -5.378 1.00 0.00 C ATOM 304 OG SER A 21 9.113 -11.295 -4.444 1.00 0.00 O ATOM 0 H SER A 21 7.691 -10.482 -3.200 1.00 0.00 H new ATOM 0 HA SER A 21 8.997 -8.443 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.879 -10.706 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.495 -10.030 -6.043 1.00 0.00 H new ATOM 0 HG SER A 21 9.430 -12.086 -4.929 1.00 0.00 H new ATOM 310 N GLY A 22 6.163 -8.522 -5.879 1.00 0.00 N ATOM 311 CA GLY A 22 5.346 -7.744 -6.784 1.00 0.00 C ATOM 312 C GLY A 22 5.022 -6.394 -6.217 1.00 0.00 C ATOM 313 O GLY A 22 5.209 -5.373 -6.875 1.00 0.00 O ATOM 0 H GLY A 22 5.708 -9.366 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.868 -7.624 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.422 -8.282 -6.994 1.00 0.00 H new ATOM 317 N CYS A 23 4.552 -6.345 -4.954 1.00 0.00 N ATOM 318 CA CYS A 23 4.080 -5.106 -4.382 1.00 0.00 C ATOM 319 C CYS A 23 5.225 -4.344 -3.795 1.00 0.00 C ATOM 320 O CYS A 23 5.173 -3.123 -3.682 1.00 0.00 O ATOM 321 CB CYS A 23 3.000 -5.293 -3.302 1.00 0.00 C ATOM 322 SG CYS A 23 2.110 -3.746 -2.954 1.00 0.00 S ATOM 0 H CYS A 23 4.497 -7.150 -4.331 1.00 0.00 H new ATOM 0 HA CYS A 23 3.621 -4.554 -5.202 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.291 -6.054 -3.627 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.463 -5.659 -2.386 1.00 0.00 H new ATOM 327 N ASP A 24 6.320 -5.041 -3.429 1.00 0.00 N ATOM 328 CA ASP A 24 7.557 -4.419 -3.015 1.00 0.00 C ATOM 329 C ASP A 24 8.130 -3.637 -4.174 1.00 0.00 C ATOM 330 O ASP A 24 8.639 -2.535 -3.997 1.00 0.00 O ATOM 331 CB ASP A 24 8.594 -5.449 -2.495 1.00 0.00 C ATOM 332 CG ASP A 24 9.790 -4.760 -1.831 1.00 0.00 C ATOM 333 OD1 ASP A 24 9.560 -3.937 -0.906 1.00 0.00 O ATOM 334 OD2 ASP A 24 10.944 -5.048 -2.245 1.00 0.00 O ATOM 0 H ASP A 24 6.353 -6.060 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 24 7.335 -3.751 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.116 -6.118 -1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.943 -6.065 -3.324 1.00 0.00 H new ATOM 339 N THR A 25 7.995 -4.151 -5.412 1.00 0.00 N ATOM 340 CA THR A 25 8.409 -3.430 -6.598 1.00 0.00 C ATOM 341 C THR A 25 7.538 -2.203 -6.788 1.00 0.00 C ATOM 342 O THR A 25 8.043 -1.125 -7.105 1.00 0.00 O ATOM 343 CB THR A 25 8.339 -4.297 -7.840 1.00 0.00 C ATOM 344 OG1 THR A 25 9.068 -5.506 -7.642 1.00 0.00 O ATOM 345 CG2 THR A 25 8.942 -3.566 -9.060 1.00 0.00 C ATOM 0 H THR A 25 7.598 -5.071 -5.601 1.00 0.00 H new ATOM 0 HA THR A 25 9.447 -3.131 -6.454 1.00 0.00 H new ATOM 0 HB THR A 25 7.288 -4.515 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.464 -6.201 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.879 -4.210 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.387 -2.646 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.986 -3.325 -8.860 1.00 0.00 H new ATOM 353 N LEU A 26 6.207 -2.330 -6.553 1.00 0.00 N ATOM 354 CA LEU A 26 5.266 -1.226 -6.637 1.00 0.00 C ATOM 355 C LEU A 26 5.609 -0.183 -5.607 1.00 0.00 C ATOM 356 O LEU A 26 5.667 1.010 -5.892 1.00 0.00 O ATOM 357 CB LEU A 26 3.795 -1.643 -6.412 1.00 0.00 C ATOM 358 CG LEU A 26 3.236 -2.579 -7.504 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.872 -3.145 -7.076 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.139 -1.887 -8.880 1.00 0.00 C ATOM 0 H LEU A 26 5.771 -3.217 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 26 5.353 -0.841 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.712 -2.139 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.177 -0.747 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 26 3.941 -3.403 -7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.490 -3.803 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.986 -3.708 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.171 -2.325 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.740 -2.588 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.478 -1.023 -8.807 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.130 -1.560 -9.193 1.00 0.00 H new ATOM 372 N CYS A 27 5.905 -0.640 -4.373 1.00 0.00 N ATOM 373 CA CYS A 27 6.378 0.168 -3.272 1.00 0.00 C ATOM 374 C CYS A 27 7.578 0.976 -3.695 1.00 0.00 C ATOM 375 O CYS A 27 7.593 2.195 -3.528 1.00 0.00 O ATOM 376 CB CYS A 27 6.748 -0.697 -2.035 1.00 0.00 C ATOM 377 SG CYS A 27 6.985 0.241 -0.506 1.00 0.00 S ATOM 0 H CYS A 27 5.811 -1.625 -4.125 1.00 0.00 H new ATOM 0 HA CYS A 27 5.564 0.835 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.962 -1.435 -1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.663 -1.248 -2.254 1.00 0.00 H new ATOM 382 N LYS A 28 8.589 0.320 -4.310 1.00 0.00 N ATOM 383 CA LYS A 28 9.801 0.984 -4.751 1.00 0.00 C ATOM 384 C LYS A 28 9.518 2.061 -5.772 1.00 0.00 C ATOM 385 O LYS A 28 10.020 3.175 -5.636 1.00 0.00 O ATOM 386 CB LYS A 28 10.878 0.012 -5.310 1.00 0.00 C ATOM 387 CG LYS A 28 11.915 -0.431 -4.256 1.00 0.00 C ATOM 388 CD LYS A 28 11.357 -1.245 -3.075 1.00 0.00 C ATOM 389 CE LYS A 28 12.361 -1.470 -1.937 1.00 0.00 C ATOM 390 NZ LYS A 28 12.787 -0.178 -1.359 1.00 0.00 N ATOM 0 H LYS A 28 8.571 -0.681 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 28 10.208 1.440 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.384 -0.871 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.397 0.495 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.681 -1.025 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.407 0.458 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.482 -0.732 -2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.019 -2.214 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.909 -2.090 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.230 -2.011 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.823 -0.256 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.730 0.070 -1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.108 0.563 -1.627 1.00 0.00 H new ATOM 404 N GLU A 29 8.703 1.775 -6.815 1.00 0.00 N ATOM 405 CA GLU A 29 8.453 2.745 -7.866 1.00 0.00 C ATOM 406 C GLU A 29 7.572 3.888 -7.411 1.00 0.00 C ATOM 407 O GLU A 29 7.731 5.006 -7.895 1.00 0.00 O ATOM 408 CB GLU A 29 7.873 2.142 -9.173 1.00 0.00 C ATOM 409 CG GLU A 29 6.525 1.422 -9.009 1.00 0.00 C ATOM 410 CD GLU A 29 6.044 0.846 -10.337 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.793 0.033 -10.941 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.911 1.203 -10.758 1.00 0.00 O ATOM 0 H GLU A 29 8.220 0.885 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 29 9.447 3.127 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.755 2.942 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.597 1.438 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.624 0.621 -8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.782 2.119 -8.621 1.00 0.00 H new ATOM 419 N LYS A 30 6.624 3.648 -6.468 1.00 0.00 N ATOM 420 CA LYS A 30 5.759 4.694 -5.948 1.00 0.00 C ATOM 421 C LYS A 30 6.509 5.519 -4.934 1.00 0.00 C ATOM 422 O LYS A 30 6.208 6.694 -4.725 1.00 0.00 O ATOM 423 CB LYS A 30 4.465 4.160 -5.290 1.00 0.00 C ATOM 424 CG LYS A 30 3.528 3.413 -6.261 1.00 0.00 C ATOM 425 CD LYS A 30 2.976 4.268 -7.414 1.00 0.00 C ATOM 426 CE LYS A 30 1.883 3.565 -8.237 1.00 0.00 C ATOM 427 NZ LYS A 30 2.380 2.309 -8.847 1.00 0.00 N ATOM 0 H LYS A 30 6.453 2.728 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 30 5.462 5.295 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.735 3.489 -4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.922 4.996 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.067 2.565 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.689 3.008 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.572 5.195 -7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.797 4.543 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.029 3.345 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.529 4.235 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.657 1.925 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.250 2.504 -9.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.583 1.616 -8.098 1.00 0.00 H new ATOM 441 N GLY A 31 7.538 4.917 -4.303 1.00 0.00 N ATOM 442 CA GLY A 31 8.569 5.658 -3.621 1.00 0.00 C ATOM 443 C GLY A 31 8.526 5.380 -2.160 1.00 0.00 C ATOM 444 O GLY A 31 8.654 6.297 -1.352 1.00 0.00 O ATOM 0 H GLY A 31 7.659 3.905 -4.263 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.546 5.387 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.437 6.725 -3.799 1.00 0.00 H new ATOM 448 N GLY A 32 8.338 4.098 -1.774 1.00 0.00 N ATOM 449 CA GLY A 32 8.464 3.657 -0.412 1.00 0.00 C ATOM 450 C GLY A 32 9.819 3.041 -0.306 1.00 0.00 C ATOM 451 O GLY A 32 10.245 2.286 -1.184 1.00 0.00 O ATOM 0 H GLY A 32 8.093 3.351 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.359 4.492 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.686 2.936 -0.161 1.00 0.00 H new ATOM 455 N THR A 33 10.542 3.379 0.785 1.00 0.00 N ATOM 456 CA THR A 33 11.956 3.123 0.918 1.00 0.00 C ATOM 457 C THR A 33 12.180 1.711 1.408 1.00 0.00 C ATOM 458 O THR A 33 13.272 1.157 1.294 1.00 0.00 O ATOM 459 CB THR A 33 12.610 4.129 1.858 1.00 0.00 C ATOM 460 OG1 THR A 33 12.074 5.425 1.608 1.00 0.00 O ATOM 461 CG2 THR A 33 14.135 4.173 1.631 1.00 0.00 C ATOM 0 H THR A 33 10.135 3.843 1.597 1.00 0.00 H new ATOM 0 HA THR A 33 12.421 3.235 -0.062 1.00 0.00 H new ATOM 0 HB THR A 33 12.409 3.825 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.491 6.074 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.583 4.897 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.559 3.187 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.341 4.466 0.602 1.00 0.00 H new ATOM 469 N SER A 34 11.128 1.068 1.945 1.00 0.00 N ATOM 470 CA SER A 34 11.170 -0.327 2.256 1.00 0.00 C ATOM 471 C SER A 34 9.704 -0.608 2.279 1.00 0.00 C ATOM 472 O SER A 34 8.920 0.346 2.236 1.00 0.00 O ATOM 473 CB SER A 34 11.848 -0.659 3.612 1.00 0.00 C ATOM 474 OG SER A 34 12.073 -2.058 3.762 1.00 0.00 O ATOM 0 H SER A 34 10.240 1.519 2.166 1.00 0.00 H new ATOM 0 HA SER A 34 11.764 -0.920 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.797 -0.128 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.221 -0.302 4.429 1.00 0.00 H new ATOM 0 HG SER A 34 12.503 -2.229 4.626 1.00 0.00 H new ATOM 480 N GLY A 35 9.307 -1.895 2.342 1.00 0.00 N ATOM 481 CA GLY A 35 7.941 -2.300 2.303 1.00 0.00 C ATOM 482 C GLY A 35 8.094 -3.770 2.404 1.00 0.00 C ATOM 483 O GLY A 35 9.231 -4.247 2.419 1.00 0.00 O ATOM 0 H GLY A 35 9.960 -2.674 2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.362 -1.886 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.445 -1.997 1.381 1.00 0.00 H new ATOM 487 N HIS A 36 6.968 -4.507 2.494 1.00 0.00 N ATOM 488 CA HIS A 36 6.928 -5.927 2.698 1.00 0.00 C ATOM 489 C HIS A 36 5.446 -6.131 2.727 1.00 0.00 C ATOM 490 O HIS A 36 4.718 -5.156 2.516 1.00 0.00 O ATOM 491 CB HIS A 36 7.599 -6.436 4.006 1.00 0.00 C ATOM 492 CG HIS A 36 7.390 -5.555 5.214 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.303 -5.643 6.042 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.191 -4.583 5.711 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.449 -4.755 7.017 1.00 0.00 C ATOM 496 NE2 HIS A 36 7.586 -4.097 6.838 1.00 0.00 N ATOM 0 H HIS A 36 6.039 -4.092 2.421 1.00 0.00 H new ATOM 0 HA HIS A 36 7.487 -6.480 1.943 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.215 -7.431 4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.670 -6.539 3.831 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.516 -6.282 5.929 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.132 -4.253 5.296 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.753 -4.594 7.827 1.00 0.00 H new ATOM 505 N CYS A 37 4.955 -7.365 2.978 1.00 0.00 N ATOM 506 CA CYS A 37 3.532 -7.613 3.098 1.00 0.00 C ATOM 507 C CYS A 37 3.170 -7.525 4.550 1.00 0.00 C ATOM 508 O CYS A 37 4.038 -7.413 5.414 1.00 0.00 O ATOM 509 CB CYS A 37 3.080 -9.010 2.600 1.00 0.00 C ATOM 510 SG CYS A 37 3.469 -9.344 0.859 1.00 0.00 S ATOM 0 H CYS A 37 5.537 -8.194 3.099 1.00 0.00 H new ATOM 0 HA CYS A 37 3.036 -6.870 2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.552 -9.773 3.219 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.004 -9.103 2.744 1.00 0.00 H new ATOM 515 N GLY A 38 1.868 -7.599 4.868 1.00 0.00 N ATOM 516 CA GLY A 38 1.392 -7.583 6.213 1.00 0.00 C ATOM 517 C GLY A 38 -0.050 -7.739 5.905 1.00 0.00 C ATOM 518 O GLY A 38 -0.383 -7.969 4.742 1.00 0.00 O ATOM 0 H GLY A 38 1.126 -7.672 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.791 -8.397 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.620 -6.655 6.737 1.00 0.00 H new ATOM 522 N PHE A 39 -0.944 -7.597 6.894 1.00 0.00 N ATOM 523 CA PHE A 39 -2.350 -7.563 6.636 1.00 0.00 C ATOM 524 C PHE A 39 -2.711 -6.567 7.689 1.00 0.00 C ATOM 525 O PHE A 39 -1.899 -6.347 8.592 1.00 0.00 O ATOM 526 CB PHE A 39 -3.009 -8.953 6.882 1.00 0.00 C ATOM 527 CG PHE A 39 -4.368 -9.201 6.261 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.985 -8.362 5.310 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.025 -10.396 6.614 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.222 -8.705 4.748 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.256 -10.743 6.045 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.861 -9.892 5.115 1.00 0.00 C ATOM 0 H PHE A 39 -0.694 -7.505 7.879 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.660 -7.320 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.326 -9.719 6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.100 -9.097 7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.499 -7.445 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.570 -11.057 7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.684 -8.048 4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.738 -11.668 6.324 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.816 -10.151 4.683 1.00 0.00 H new ATOM 542 N LYS A 40 -3.882 -5.917 7.590 1.00 0.00 N ATOM 543 CA LYS A 40 -4.405 -5.086 8.647 1.00 0.00 C ATOM 544 C LYS A 40 -5.855 -5.035 8.281 1.00 0.00 C ATOM 545 O LYS A 40 -6.511 -4.000 8.372 1.00 0.00 O ATOM 546 CB LYS A 40 -3.805 -3.651 8.655 1.00 0.00 C ATOM 547 CG LYS A 40 -4.134 -2.787 9.889 1.00 0.00 C ATOM 548 CD LYS A 40 -3.588 -1.355 9.758 1.00 0.00 C ATOM 549 CE LYS A 40 -3.920 -0.437 10.945 1.00 0.00 C ATOM 550 NZ LYS A 40 -5.378 -0.192 11.051 1.00 0.00 N ATOM 0 H LYS A 40 -4.482 -5.964 6.766 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.180 -5.475 9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.721 -3.731 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.156 -3.127 7.766 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.215 -2.751 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.714 -3.254 10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.505 -1.401 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.987 -0.909 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.558 -0.889 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.398 0.513 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.560 0.497 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.733 0.183 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.865 -1.084 11.271 1.00 0.00 H new ATOM 564 N VAL A 41 -6.376 -6.178 7.768 1.00 0.00 N ATOM 565 CA VAL A 41 -7.549 -6.256 6.939 1.00 0.00 C ATOM 566 C VAL A 41 -7.266 -5.394 5.730 1.00 0.00 C ATOM 567 O VAL A 41 -6.130 -5.366 5.246 1.00 0.00 O ATOM 568 CB VAL A 41 -8.861 -6.032 7.687 1.00 0.00 C ATOM 569 CG1 VAL A 41 -10.048 -6.665 6.925 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.768 -6.669 9.097 1.00 0.00 C ATOM 0 H VAL A 41 -5.956 -7.091 7.942 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.738 -7.271 6.588 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.029 -4.958 7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.970 -6.491 7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.128 -6.213 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.884 -7.738 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.705 -6.509 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.583 -7.739 9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.951 -6.208 9.652 1.00 0.00 H new ATOM 580 N GLY A 42 -8.279 -4.690 5.221 1.00 0.00 N ATOM 581 CA GLY A 42 -8.178 -3.911 4.029 1.00 0.00 C ATOM 582 C GLY A 42 -9.245 -4.550 3.227 1.00 0.00 C ATOM 583 O GLY A 42 -10.366 -4.682 3.706 1.00 0.00 O ATOM 0 H GLY A 42 -9.204 -4.658 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.364 -2.851 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.197 -3.989 3.559 1.00 0.00 H new ATOM 587 N HIS A 43 -8.902 -4.995 2.012 1.00 0.00 N ATOM 588 CA HIS A 43 -9.790 -5.623 1.067 1.00 0.00 C ATOM 589 C HIS A 43 -9.254 -6.992 0.758 1.00 0.00 C ATOM 590 O HIS A 43 -9.961 -7.854 0.243 1.00 0.00 O ATOM 591 CB HIS A 43 -9.788 -4.879 -0.290 1.00 0.00 C ATOM 592 CG HIS A 43 -10.522 -3.570 -0.307 1.00 0.00 C ATOM 593 ND1 HIS A 43 -11.765 -3.294 -0.766 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -9.938 -2.374 0.011 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -11.910 -1.934 -0.733 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -10.793 -1.405 -0.261 1.00 0.00 N flip ATOM 0 H HIS A 43 -7.948 -4.916 1.659 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.788 -5.628 1.504 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.754 -4.700 -0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.227 -5.532 -1.044 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.945 -2.244 0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.788 -1.385 -1.040 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -10.620 -0.409 -0.128 1.00 0.00 H new ATOM 605 N GLY A 44 -7.961 -7.224 1.012 1.00 0.00 N ATOM 606 CA GLY A 44 -7.253 -8.349 0.509 1.00 0.00 C ATOM 607 C GLY A 44 -5.946 -8.009 1.116 1.00 0.00 C ATOM 608 O GLY A 44 -5.879 -7.046 1.887 1.00 0.00 O ATOM 0 H GLY A 44 -7.389 -6.607 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.655 -9.302 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.226 -8.390 -0.580 1.00 0.00 H new ATOM 612 N LEU A 45 -4.882 -8.765 0.800 1.00 0.00 N ATOM 613 CA LEU A 45 -3.639 -8.670 1.514 1.00 0.00 C ATOM 614 C LEU A 45 -2.866 -7.498 0.962 1.00 0.00 C ATOM 615 O LEU A 45 -2.297 -7.567 -0.132 1.00 0.00 O ATOM 616 CB LEU A 45 -2.848 -9.998 1.436 1.00 0.00 C ATOM 617 CG LEU A 45 -1.984 -10.302 2.682 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.253 -11.716 3.234 1.00 0.00 C ATOM 619 CD2 LEU A 45 -0.492 -10.092 2.395 1.00 0.00 C ATOM 0 H LEU A 45 -4.878 -9.450 0.044 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.823 -8.499 2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.551 -10.817 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.202 -9.971 0.559 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.276 -9.591 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.626 -11.890 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.302 -11.803 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.021 -12.456 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.086 -10.314 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.180 -10.755 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.320 -9.057 2.100 1.00 0.00 H new ATOM 631 N ALA A 46 -2.891 -6.370 1.714 1.00 0.00 N ATOM 632 CA ALA A 46 -2.327 -5.098 1.327 1.00 0.00 C ATOM 633 C ALA A 46 -0.859 -5.110 1.610 1.00 0.00 C ATOM 634 O ALA A 46 -0.332 -6.122 2.076 1.00 0.00 O ATOM 635 CB ALA A 46 -2.969 -3.917 2.078 1.00 0.00 C ATOM 0 H ALA A 46 -3.325 -6.343 2.636 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.523 -4.961 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.509 -2.984 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.038 -3.889 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.815 -4.040 3.150 1.00 0.00 H new ATOM 641 N CYS A 47 -0.130 -4.000 1.321 1.00 0.00 N ATOM 642 CA CYS A 47 1.317 -4.108 1.398 1.00 0.00 C ATOM 643 C CYS A 47 1.732 -3.027 2.328 1.00 0.00 C ATOM 644 O CYS A 47 1.011 -2.047 2.449 1.00 0.00 O ATOM 645 CB CYS A 47 2.043 -3.953 0.037 1.00 0.00 C ATOM 646 SG CYS A 47 0.948 -4.243 -1.389 1.00 0.00 S ATOM 0 H CYS A 47 -0.503 -3.089 1.053 1.00 0.00 H new ATOM 0 HA CYS A 47 1.592 -5.107 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.463 -2.950 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.878 -4.652 -0.005 1.00 0.00 H new ATOM 651 N TRP A 48 2.901 -3.145 2.996 1.00 0.00 N ATOM 652 CA TRP A 48 3.442 -2.085 3.814 1.00 0.00 C ATOM 653 C TRP A 48 4.310 -1.301 2.881 1.00 0.00 C ATOM 654 O TRP A 48 4.823 -1.861 1.912 1.00 0.00 O ATOM 655 CB TRP A 48 4.305 -2.587 5.015 1.00 0.00 C ATOM 656 CG TRP A 48 4.817 -1.513 5.978 1.00 0.00 C ATOM 657 CD1 TRP A 48 6.083 -1.007 6.125 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.987 -0.787 6.904 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.088 -0.011 7.078 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.814 0.146 7.562 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.631 -0.869 7.196 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.298 1.022 8.511 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.110 0.013 8.158 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.930 0.952 8.801 1.00 0.00 C ATOM 0 H TRP A 48 3.480 -3.984 2.971 1.00 0.00 H new ATOM 0 HA TRP A 48 2.630 -1.515 4.265 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.714 -3.304 5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.164 -3.127 4.617 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.950 -1.340 5.574 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.905 0.522 7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.997 -1.588 6.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.935 1.737 9.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.060 -0.033 8.407 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.502 1.628 9.527 1.00 0.00 H new ATOM 675 N CYS A 49 4.524 -0.002 3.174 1.00 0.00 N ATOM 676 CA CYS A 49 5.618 0.729 2.613 1.00 0.00 C ATOM 677 C CYS A 49 6.003 1.557 3.776 1.00 0.00 C ATOM 678 O CYS A 49 5.137 1.981 4.537 1.00 0.00 O ATOM 679 CB CYS A 49 5.271 1.707 1.481 1.00 0.00 C ATOM 680 SG CYS A 49 5.116 0.900 -0.126 1.00 0.00 S ATOM 0 H CYS A 49 3.934 0.543 3.803 1.00 0.00 H new ATOM 0 HA CYS A 49 6.345 0.046 2.173 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.335 2.212 1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.042 2.475 1.423 1.00 0.00 H new ATOM 685 N ASN A 50 7.310 1.803 3.947 1.00 0.00 N ATOM 686 CA ASN A 50 7.793 2.624 5.016 1.00 0.00 C ATOM 687 C ASN A 50 8.327 3.820 4.311 1.00 0.00 C ATOM 688 O ASN A 50 9.198 3.675 3.453 1.00 0.00 O ATOM 689 CB ASN A 50 8.926 1.959 5.841 1.00 0.00 C ATOM 690 CG ASN A 50 8.785 2.390 7.305 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.844 1.925 7.962 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.699 3.260 7.819 1.00 0.00 N ATOM 0 H ASN A 50 8.041 1.431 3.341 1.00 0.00 H new ATOM 0 HA ASN A 50 7.004 2.832 5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.866 0.874 5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.900 2.255 5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.627 3.559 8.791 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.455 3.612 7.231 1.00 0.00 H new ATOM 699 N ALA A 51 7.790 5.009 4.658 1.00 0.00 N ATOM 700 CA ALA A 51 8.177 6.301 4.155 1.00 0.00 C ATOM 701 C ALA A 51 7.718 6.460 2.740 1.00 0.00 C ATOM 702 O ALA A 51 8.520 6.389 1.815 1.00 0.00 O ATOM 703 CB ALA A 51 9.674 6.648 4.284 1.00 0.00 C ATOM 0 H ALA A 51 7.032 5.073 5.338 1.00 0.00 H new ATOM 0 HA ALA A 51 7.676 7.019 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.854 7.642 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.962 6.631 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.266 5.917 3.734 1.00 0.00 H new ATOM 709 N LEU A 52 6.406 6.706 2.548 1.00 0.00 N ATOM 710 CA LEU A 52 5.894 7.109 1.257 1.00 0.00 C ATOM 711 C LEU A 52 5.743 8.594 1.367 1.00 0.00 C ATOM 712 O LEU A 52 5.321 9.050 2.430 1.00 0.00 O ATOM 713 CB LEU A 52 4.502 6.535 0.898 1.00 0.00 C ATOM 714 CG LEU A 52 4.566 5.085 0.376 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.196 4.404 0.480 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.103 4.987 -1.066 1.00 0.00 C ATOM 0 H LEU A 52 5.698 6.628 3.278 1.00 0.00 H new ATOM 0 HA LEU A 52 6.574 6.749 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.862 6.570 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.038 7.168 0.142 1.00 0.00 H new ATOM 0 HG LEU A 52 5.276 4.562 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.268 3.383 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.876 4.387 1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.468 4.958 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.124 3.942 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.453 5.551 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.112 5.398 -1.107 1.00 0.00 H new ATOM 728 N PRO A 53 6.055 9.400 0.360 1.00 0.00 N ATOM 729 CA PRO A 53 5.851 10.833 0.418 1.00 0.00 C ATOM 730 C PRO A 53 4.377 11.148 0.319 1.00 0.00 C ATOM 731 O PRO A 53 3.560 10.260 0.082 1.00 0.00 O ATOM 732 CB PRO A 53 6.648 11.372 -0.778 1.00 0.00 C ATOM 733 CG PRO A 53 6.684 10.218 -1.789 1.00 0.00 C ATOM 734 CD PRO A 53 6.638 8.967 -0.913 1.00 0.00 C ATOM 0 HA PRO A 53 6.184 11.286 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.171 12.254 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.654 11.667 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.837 10.259 -2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.587 10.247 -2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.034 8.186 -1.376 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.636 8.554 -0.767 1.00 0.00 H new ATOM 742 N ASP A 54 4.007 12.419 0.537 1.00 0.00 N ATOM 743 CA ASP A 54 2.642 12.791 0.816 1.00 0.00 C ATOM 744 C ASP A 54 1.773 12.844 -0.412 1.00 0.00 C ATOM 745 O ASP A 54 0.570 13.074 -0.321 1.00 0.00 O ATOM 746 CB ASP A 54 2.583 14.185 1.468 1.00 0.00 C ATOM 747 CG ASP A 54 3.400 14.187 2.762 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.007 13.467 3.719 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.439 14.899 2.804 1.00 0.00 O ATOM 0 H ASP A 54 4.657 13.205 0.521 1.00 0.00 H new ATOM 0 HA ASP A 54 2.266 12.015 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.973 14.935 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.548 14.454 1.680 1.00 0.00 H new ATOM 754 N ASN A 55 2.364 12.627 -1.601 1.00 0.00 N ATOM 755 CA ASN A 55 1.668 12.661 -2.865 1.00 0.00 C ATOM 756 C ASN A 55 1.169 11.286 -3.212 1.00 0.00 C ATOM 757 O ASN A 55 0.582 11.099 -4.275 1.00 0.00 O ATOM 758 CB ASN A 55 2.562 13.164 -4.037 1.00 0.00 C ATOM 759 CG ASN A 55 3.861 12.345 -4.139 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.670 12.392 -3.205 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.044 11.589 -5.257 1.00 0.00 N ATOM 0 H ASN A 55 3.359 12.421 -1.693 1.00 0.00 H new ATOM 0 HA ASN A 55 0.843 13.362 -2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.010 13.094 -4.974 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.804 14.216 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.885 11.021 -5.356 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.340 11.591 -5.995 1.00 0.00 H new ATOM 768 N VAL A 56 1.402 10.286 -2.337 1.00 0.00 N ATOM 769 CA VAL A 56 0.984 8.929 -2.563 1.00 0.00 C ATOM 770 C VAL A 56 -0.254 8.789 -1.732 1.00 0.00 C ATOM 771 O VAL A 56 -0.311 9.305 -0.617 1.00 0.00 O ATOM 772 CB VAL A 56 2.031 7.909 -2.133 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.675 6.516 -2.696 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.411 8.413 -2.613 1.00 0.00 C ATOM 0 H VAL A 56 1.892 10.422 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 56 0.823 8.736 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 56 2.059 7.803 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.429 5.794 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.700 6.209 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.644 6.560 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.181 7.700 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.405 8.512 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.622 9.382 -2.161 1.00 0.00 H new ATOM 784 N GLY A 57 -1.284 8.086 -2.238 1.00 0.00 N ATOM 785 CA GLY A 57 -2.506 7.888 -1.508 1.00 0.00 C ATOM 786 C GLY A 57 -2.523 6.421 -1.298 1.00 0.00 C ATOM 787 O GLY A 57 -1.974 5.684 -2.116 1.00 0.00 O ATOM 0 H GLY A 57 -1.273 7.650 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.507 8.433 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.375 8.227 -2.072 1.00 0.00 H new ATOM 791 N ILE A 58 -3.111 5.978 -0.171 1.00 0.00 N ATOM 792 CA ILE A 58 -2.885 4.670 0.378 1.00 0.00 C ATOM 793 C ILE A 58 -4.188 4.199 0.983 1.00 0.00 C ATOM 794 O ILE A 58 -5.268 4.599 0.539 1.00 0.00 O ATOM 795 CB ILE A 58 -1.742 4.680 1.384 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.869 5.776 2.467 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.419 4.774 0.603 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.735 5.719 3.495 1.00 0.00 C ATOM 0 H ILE A 58 -3.762 6.542 0.375 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.576 3.974 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.775 3.751 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.873 6.756 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.825 5.667 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.417 4.783 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.327 3.915 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.409 5.691 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.872 6.510 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.746 4.751 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.221 5.856 2.990 1.00 0.00 H new ATOM 810 N ILE A 59 -4.119 3.297 2.001 1.00 0.00 N ATOM 811 CA ILE A 59 -5.264 2.708 2.651 1.00 0.00 C ATOM 812 C ILE A 59 -5.869 3.795 3.493 1.00 0.00 C ATOM 813 O ILE A 59 -5.164 4.604 4.094 1.00 0.00 O ATOM 814 CB ILE A 59 -4.955 1.501 3.548 1.00 0.00 C ATOM 815 CG1 ILE A 59 -3.975 0.501 2.894 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.259 0.772 3.961 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.575 -0.349 1.782 1.00 0.00 C ATOM 0 H ILE A 59 -3.232 2.969 2.382 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.926 2.322 1.876 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.465 1.898 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.128 1.056 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.584 -0.161 3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.014 -0.079 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.903 1.460 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.778 0.422 3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.813 -1.019 1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.403 -0.936 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.939 0.299 0.985 1.00 0.00 H new ATOM 829 N VAL A 60 -7.206 3.840 3.490 1.00 0.00 N ATOM 830 CA VAL A 60 -8.058 4.772 4.145 1.00 0.00 C ATOM 831 C VAL A 60 -9.135 3.761 4.347 1.00 0.00 C ATOM 832 O VAL A 60 -9.296 2.953 3.428 1.00 0.00 O ATOM 833 CB VAL A 60 -8.531 5.859 3.182 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.755 6.622 3.712 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.361 6.802 2.862 1.00 0.00 C ATOM 0 H VAL A 60 -7.746 3.147 2.972 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.671 5.328 4.999 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.861 5.380 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.050 7.383 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.580 5.926 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.504 7.099 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.697 7.578 2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.003 7.263 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.552 6.235 2.401 1.00 0.00 H new