USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 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 11 ASN : amide:sc= 0.569 K(o=-0.27,f=-7.5!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -118:sc= -0.104 (180deg=0.0972) USER MOD Set 1.3: A 43 HIS : no HD1:sc= -0.738 X(o=-0.27,f=-0.54) USER MOD Single : A 1 VAL N :NH3+ -116:sc= -0.0576 (180deg=-0.224) USER MOD Single : A 5 TYR OH : rot 136:sc= 1.2 USER MOD Single : A 8 GLN : amide:sc= 1.17 K(o=1.2,f=-0.00052) USER MOD Single : A 12 CYS SG : rot 38:sc= 1.18 USER MOD Single : A 14 TYR OH : rot 150:sc= 0 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.0627 F(o=-0.66,f=-0.063) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00484 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0832 USER MOD Single : A 25 THR OG1 : rot 71:sc= 1.34 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.165 (180deg=-0.679) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 34 SER OG : rot 8:sc= 1.2 USER MOD Single : A 36 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.12) USER MOD Single : A 50 ASN : amide:sc= 1 K(o=1,f=-3.1!) USER MOD Single : A 55 ASN : amide:sc= -0.077 K(o=-0.077,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.647 12.168 5.666 1.00 0.00 N ATOM 2 CA VAL A 1 5.376 10.884 4.971 1.00 0.00 C ATOM 3 C VAL A 1 4.299 10.115 5.691 1.00 0.00 C ATOM 4 O VAL A 1 3.949 10.421 6.833 1.00 0.00 O ATOM 5 CB VAL A 1 6.643 10.020 4.848 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.683 10.719 3.942 1.00 0.00 C ATOM 7 CG2 VAL A 1 7.232 9.643 6.229 1.00 0.00 C ATOM 0 H1 VAL A 1 5.396 12.961 5.041 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.079 12.219 6.535 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.657 12.225 5.909 1.00 0.00 H new ATOM 0 HA VAL A 1 5.037 11.125 3.963 1.00 0.00 H new ATOM 0 HB VAL A 1 6.362 9.078 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.574 10.096 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.258 10.870 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.951 11.684 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.125 9.033 6.090 1.00 0.00 H new ATOM 0 HG22 VAL A 1 7.494 10.551 6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 1 6.493 9.079 6.798 1.00 0.00 H new ATOM 19 N ARG A 2 3.771 9.059 5.031 1.00 0.00 N ATOM 20 CA ARG A 2 2.971 8.054 5.682 1.00 0.00 C ATOM 21 C ARG A 2 3.891 6.879 5.877 1.00 0.00 C ATOM 22 O ARG A 2 4.857 6.705 5.130 1.00 0.00 O ATOM 23 CB ARG A 2 1.769 7.496 4.868 1.00 0.00 C ATOM 24 CG ARG A 2 0.686 8.502 4.430 1.00 0.00 C ATOM 25 CD ARG A 2 0.949 9.158 3.064 1.00 0.00 C ATOM 26 NE ARG A 2 -0.344 9.373 2.316 1.00 0.00 N ATOM 27 CZ ARG A 2 -1.248 10.365 2.590 1.00 0.00 C ATOM 28 NH1 ARG A 2 -1.085 11.218 3.640 1.00 0.00 N ATOM 29 NH2 ARG A 2 -2.343 10.498 1.783 1.00 0.00 N ATOM 0 H ARG A 2 3.901 8.900 4.032 1.00 0.00 H new ATOM 0 HA ARG A 2 2.555 8.520 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.162 7.012 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.288 6.721 5.464 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.276 7.991 4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 2 0.605 9.283 5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.456 10.113 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.615 8.528 2.475 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.560 8.734 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.271 11.128 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.777 11.947 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.475 9.865 0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.028 11.230 1.970 1.00 0.00 H new ATOM 43 N ASP A 3 3.556 6.005 6.847 1.00 0.00 N ATOM 44 CA ASP A 3 4.015 4.646 6.879 1.00 0.00 C ATOM 45 C ASP A 3 2.648 4.072 6.995 1.00 0.00 C ATOM 46 O ASP A 3 1.869 4.571 7.809 1.00 0.00 O ATOM 47 CB ASP A 3 4.818 4.225 8.139 1.00 0.00 C ATOM 48 CG ASP A 3 6.191 4.899 8.220 1.00 0.00 C ATOM 49 OD1 ASP A 3 6.643 5.502 7.213 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.815 4.800 9.312 1.00 0.00 O ATOM 0 H ASP A 3 2.950 6.249 7.630 1.00 0.00 H new ATOM 0 HA ASP A 3 4.690 4.375 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.243 4.474 9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.949 3.143 8.136 1.00 0.00 H new ATOM 55 N GLY A 4 2.258 3.119 6.131 1.00 0.00 N ATOM 56 CA GLY A 4 0.945 2.566 6.257 1.00 0.00 C ATOM 57 C GLY A 4 1.026 1.307 5.493 1.00 0.00 C ATOM 58 O GLY A 4 2.084 0.983 4.951 1.00 0.00 O ATOM 0 H GLY A 4 2.826 2.742 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.684 2.386 7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.187 3.235 5.849 1.00 0.00 H new ATOM 62 N TYR A 5 -0.129 0.630 5.333 1.00 0.00 N ATOM 63 CA TYR A 5 -0.269 -0.396 4.334 1.00 0.00 C ATOM 64 C TYR A 5 -0.485 0.366 3.053 1.00 0.00 C ATOM 65 O TYR A 5 -1.146 1.403 3.070 1.00 0.00 O ATOM 66 CB TYR A 5 -1.484 -1.324 4.563 1.00 0.00 C ATOM 67 CG TYR A 5 -1.196 -2.401 5.571 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.271 -2.135 6.949 1.00 0.00 C ATOM 69 CD2 TYR A 5 -0.912 -3.712 5.147 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.085 -3.161 7.884 1.00 0.00 C ATOM 71 CE2 TYR A 5 -0.759 -4.747 6.078 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.867 -4.475 7.451 1.00 0.00 C ATOM 73 OH TYR A 5 -0.811 -5.520 8.402 1.00 0.00 O ATOM 0 H TYR A 5 -0.966 0.791 5.893 1.00 0.00 H new ATOM 0 HA TYR A 5 0.606 -1.046 4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.333 -0.730 4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.772 -1.782 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.474 -1.131 7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.811 -3.922 4.093 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.110 -2.939 8.941 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.558 -5.753 5.740 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.334 -6.283 8.080 1.00 0.00 H new ATOM 83 N ILE A 6 0.100 -0.087 1.927 1.00 0.00 N ATOM 84 CA ILE A 6 -0.091 0.531 0.639 1.00 0.00 C ATOM 85 C ILE A 6 -1.271 -0.173 0.016 1.00 0.00 C ATOM 86 O ILE A 6 -1.514 -1.371 0.244 1.00 0.00 O ATOM 87 CB ILE A 6 1.160 0.614 -0.254 1.00 0.00 C ATOM 88 CG1 ILE A 6 0.967 1.593 -1.447 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.637 -0.782 -0.681 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.148 1.716 -2.414 1.00 0.00 C ATOM 0 H ILE A 6 0.718 -0.898 1.906 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.297 1.594 0.765 1.00 0.00 H new ATOM 0 HB ILE A 6 1.965 1.042 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.091 1.276 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.746 2.583 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.522 -0.687 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.882 -1.369 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.846 -1.282 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.899 2.425 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.026 2.069 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.361 0.742 -2.854 1.00 0.00 H new ATOM 102 N ALA A 7 -2.034 0.617 -0.769 1.00 0.00 N ATOM 103 CA ALA A 7 -3.174 0.245 -1.529 1.00 0.00 C ATOM 104 C ALA A 7 -2.989 1.123 -2.702 1.00 0.00 C ATOM 105 O ALA A 7 -2.122 1.995 -2.674 1.00 0.00 O ATOM 106 CB ALA A 7 -4.518 0.624 -0.900 1.00 0.00 C ATOM 0 H ALA A 7 -1.823 1.609 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.224 -0.834 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.329 0.300 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.616 0.137 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.567 1.705 -0.770 1.00 0.00 H new ATOM 112 N GLN A 8 -3.817 0.907 -3.733 1.00 0.00 N ATOM 113 CA GLN A 8 -3.820 1.631 -4.964 1.00 0.00 C ATOM 114 C GLN A 8 -4.597 2.899 -4.708 1.00 0.00 C ATOM 115 O GLN A 8 -5.406 2.911 -3.776 1.00 0.00 O ATOM 116 CB GLN A 8 -4.561 0.823 -6.060 1.00 0.00 C ATOM 117 CG GLN A 8 -3.989 -0.597 -6.233 1.00 0.00 C ATOM 118 CD GLN A 8 -4.853 -1.400 -7.207 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.968 -1.040 -8.383 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.475 -2.511 -6.713 1.00 0.00 N ATOM 0 H GLN A 8 -4.532 0.180 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.801 1.824 -5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.619 0.757 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.494 1.356 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.966 -0.542 -6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.951 -1.102 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.352 -2.772 -5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.062 -3.080 -7.323 1.00 0.00 H new ATOM 129 N PRO A 9 -4.402 3.947 -5.510 1.00 0.00 N ATOM 130 CA PRO A 9 -5.221 5.146 -5.482 1.00 0.00 C ATOM 131 C PRO A 9 -6.665 4.817 -5.829 1.00 0.00 C ATOM 132 O PRO A 9 -6.913 4.456 -6.977 1.00 0.00 O ATOM 133 CB PRO A 9 -4.593 6.057 -6.548 1.00 0.00 C ATOM 134 CG PRO A 9 -3.110 5.675 -6.517 1.00 0.00 C ATOM 135 CD PRO A 9 -3.159 4.167 -6.257 1.00 0.00 C ATOM 0 HA PRO A 9 -5.245 5.615 -4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.031 5.885 -7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.741 7.111 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.612 5.908 -7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.571 6.205 -5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.156 3.606 -7.191 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.292 3.837 -5.685 1.00 0.00 H new ATOM 143 N GLU A 10 -7.653 4.896 -4.905 1.00 0.00 N ATOM 144 CA GLU A 10 -7.554 5.296 -3.534 1.00 0.00 C ATOM 145 C GLU A 10 -8.158 4.153 -2.807 1.00 0.00 C ATOM 146 O GLU A 10 -9.243 3.731 -3.186 1.00 0.00 O ATOM 147 CB GLU A 10 -8.427 6.545 -3.241 1.00 0.00 C ATOM 148 CG GLU A 10 -7.855 7.859 -3.799 1.00 0.00 C ATOM 149 CD GLU A 10 -6.508 8.165 -3.152 1.00 0.00 C ATOM 150 OE1 GLU A 10 -6.458 8.250 -1.894 1.00 0.00 O ATOM 151 OE2 GLU A 10 -5.509 8.317 -3.906 1.00 0.00 O ATOM 0 H GLU A 10 -8.613 4.654 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.528 5.538 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.420 6.387 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.549 6.644 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.738 7.783 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.551 8.676 -3.610 1.00 0.00 H new ATOM 158 N ASN A 11 -7.498 3.643 -1.745 1.00 0.00 N ATOM 159 CA ASN A 11 -8.097 2.792 -0.744 1.00 0.00 C ATOM 160 C ASN A 11 -8.594 1.468 -1.261 1.00 0.00 C ATOM 161 O ASN A 11 -9.602 0.940 -0.789 1.00 0.00 O ATOM 162 CB ASN A 11 -9.259 3.526 -0.046 1.00 0.00 C ATOM 163 CG ASN A 11 -9.552 2.947 1.332 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.715 2.305 1.981 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.774 3.260 1.830 1.00 0.00 N ATOM 0 H ASN A 11 -6.510 3.828 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.293 2.568 -0.043 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.015 4.584 0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.154 3.460 -0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.032 2.965 2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.435 3.791 1.263 1.00 0.00 H new ATOM 172 N CYS A 12 -7.901 0.899 -2.255 1.00 0.00 N ATOM 173 CA CYS A 12 -8.255 -0.396 -2.792 1.00 0.00 C ATOM 174 C CYS A 12 -6.947 -1.111 -2.802 1.00 0.00 C ATOM 175 O CYS A 12 -6.007 -0.598 -3.402 1.00 0.00 O ATOM 176 CB CYS A 12 -8.811 -0.354 -4.242 1.00 0.00 C ATOM 177 SG CYS A 12 -9.923 1.055 -4.533 1.00 0.00 S ATOM 0 H CYS A 12 -7.089 1.328 -2.698 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.048 -0.856 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.978 -0.304 -4.944 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.346 -1.281 -4.448 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.472 2.100 -3.905 1.00 0.00 H new ATOM 182 N VAL A 13 -6.807 -2.269 -2.115 1.00 0.00 N ATOM 183 CA VAL A 13 -5.507 -2.822 -1.798 1.00 0.00 C ATOM 184 C VAL A 13 -4.641 -3.175 -2.980 1.00 0.00 C ATOM 185 O VAL A 13 -5.098 -3.421 -4.099 1.00 0.00 O ATOM 186 CB VAL A 13 -5.532 -3.955 -0.785 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.734 -3.319 0.603 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.613 -4.997 -1.131 1.00 0.00 C ATOM 0 H VAL A 13 -7.592 -2.826 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.023 -1.971 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.593 -4.509 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.758 -4.101 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.912 -2.635 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.676 -2.770 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.603 -5.793 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.592 -4.518 -1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.410 -5.419 -2.115 1.00 0.00 H new ATOM 198 N TYR A 14 -3.320 -3.149 -2.715 1.00 0.00 N ATOM 199 CA TYR A 14 -2.274 -3.391 -3.651 1.00 0.00 C ATOM 200 C TYR A 14 -1.863 -4.739 -3.195 1.00 0.00 C ATOM 201 O TYR A 14 -1.524 -4.891 -2.023 1.00 0.00 O ATOM 202 CB TYR A 14 -1.083 -2.400 -3.492 1.00 0.00 C ATOM 203 CG TYR A 14 -0.759 -1.672 -4.771 1.00 0.00 C ATOM 204 CD1 TYR A 14 -0.645 -2.359 -5.994 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.557 -0.282 -4.761 1.00 0.00 C ATOM 206 CE1 TYR A 14 -0.399 -1.665 -7.186 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.313 0.417 -5.946 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.250 -0.271 -7.164 1.00 0.00 C ATOM 209 OH TYR A 14 -0.066 0.450 -8.364 1.00 0.00 O ATOM 0 H TYR A 14 -2.965 -2.944 -1.781 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.575 -3.289 -4.694 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.321 -1.673 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.202 -2.948 -3.157 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.748 -3.434 -6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.591 0.254 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.324 -2.203 -8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.173 1.488 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.445 1.349 -8.267 1.00 0.00 H new ATOM 219 N HIS A 15 -1.939 -5.759 -4.065 1.00 0.00 N ATOM 220 CA HIS A 15 -1.756 -7.110 -3.612 1.00 0.00 C ATOM 221 C HIS A 15 -0.299 -7.431 -3.694 1.00 0.00 C ATOM 222 O HIS A 15 0.350 -7.244 -4.721 1.00 0.00 O ATOM 223 CB HIS A 15 -2.580 -8.162 -4.385 1.00 0.00 C ATOM 224 CG HIS A 15 -4.042 -8.095 -4.018 1.00 0.00 C ATOM 225 ND1 HIS A 15 -4.736 -8.839 -3.124 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -4.901 -7.144 -4.503 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.009 -8.335 -3.081 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -6.082 -7.315 -3.923 1.00 0.00 N flip ATOM 0 H HIS A 15 -2.123 -5.658 -5.063 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.125 -7.162 -2.588 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.465 -8.001 -5.457 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.195 -9.158 -4.169 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.658 -6.385 -5.232 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.815 -8.706 -2.466 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.914 -6.751 -4.098 1.00 0.00 H new ATOM 237 N CYS A 16 0.225 -7.931 -2.560 1.00 0.00 N ATOM 238 CA CYS A 16 1.570 -8.384 -2.390 1.00 0.00 C ATOM 239 C CYS A 16 1.619 -9.762 -2.974 1.00 0.00 C ATOM 240 O CYS A 16 0.599 -10.435 -3.111 1.00 0.00 O ATOM 241 CB CYS A 16 1.924 -8.464 -0.879 1.00 0.00 C ATOM 242 SG CYS A 16 3.624 -8.990 -0.488 1.00 0.00 S ATOM 0 H CYS A 16 -0.328 -8.024 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 16 2.275 -7.705 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.756 -7.483 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.231 -9.155 -0.399 1.00 0.00 H new ATOM 247 N PHE A 17 2.833 -10.214 -3.317 1.00 0.00 N ATOM 248 CA PHE A 17 3.084 -11.527 -3.813 1.00 0.00 C ATOM 249 C PHE A 17 3.900 -12.081 -2.680 1.00 0.00 C ATOM 250 O PHE A 17 4.972 -11.508 -2.464 1.00 0.00 O ATOM 251 CB PHE A 17 3.945 -11.489 -5.099 1.00 0.00 C ATOM 252 CG PHE A 17 3.232 -10.675 -6.152 1.00 0.00 C ATOM 253 CD1 PHE A 17 2.178 -11.232 -6.898 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.566 -9.322 -6.356 1.00 0.00 C ATOM 255 CE1 PHE A 17 1.471 -10.453 -7.825 1.00 0.00 C ATOM 256 CE2 PHE A 17 2.859 -8.541 -7.278 1.00 0.00 C ATOM 257 CZ PHE A 17 1.811 -9.107 -8.013 1.00 0.00 C ATOM 0 H PHE A 17 3.675 -9.642 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 17 2.187 -12.087 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.921 -11.053 -4.885 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.121 -12.501 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.911 -12.269 -6.756 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.377 -8.882 -5.795 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.664 -10.891 -8.394 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.122 -7.503 -7.422 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.265 -8.506 -8.725 1.00 0.00 H new ATOM 267 N PRO A 18 3.482 -13.099 -1.915 1.00 0.00 N ATOM 268 CA PRO A 18 4.176 -13.521 -0.705 1.00 0.00 C ATOM 269 C PRO A 18 5.619 -13.882 -0.946 1.00 0.00 C ATOM 270 O PRO A 18 5.899 -14.840 -1.663 1.00 0.00 O ATOM 271 CB PRO A 18 3.361 -14.726 -0.230 1.00 0.00 C ATOM 272 CG PRO A 18 1.922 -14.321 -0.563 1.00 0.00 C ATOM 273 CD PRO A 18 2.074 -13.516 -1.862 1.00 0.00 C ATOM 0 HA PRO A 18 4.232 -12.721 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.653 -15.640 -0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.493 -14.907 0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.281 -15.192 -0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.478 -13.722 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.813 -14.122 -2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.410 -12.651 -1.866 1.00 0.00 H new ATOM 281 N GLY A 19 6.539 -13.078 -0.385 1.00 0.00 N ATOM 282 CA GLY A 19 7.923 -13.064 -0.758 1.00 0.00 C ATOM 283 C GLY A 19 8.242 -11.617 -0.616 1.00 0.00 C ATOM 284 O GLY A 19 9.192 -11.243 0.069 1.00 0.00 O ATOM 0 H GLY A 19 6.313 -12.413 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.533 -13.687 -0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.079 -13.423 -1.775 1.00 0.00 H new ATOM 288 N SER A 20 7.372 -10.777 -1.227 1.00 0.00 N ATOM 289 CA SER A 20 7.331 -9.326 -1.203 1.00 0.00 C ATOM 290 C SER A 20 7.952 -8.784 -2.452 1.00 0.00 C ATOM 291 O SER A 20 7.801 -7.604 -2.762 1.00 0.00 O ATOM 292 CB SER A 20 7.923 -8.589 0.027 1.00 0.00 C ATOM 293 OG SER A 20 7.557 -9.256 1.231 1.00 0.00 O ATOM 0 H SER A 20 6.616 -11.152 -1.799 1.00 0.00 H new ATOM 0 HA SER A 20 6.264 -9.116 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.009 -8.545 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.563 -7.560 0.050 1.00 0.00 H new ATOM 0 HG SER A 20 7.939 -8.780 1.998 1.00 0.00 H new ATOM 299 N SER A 21 8.652 -9.648 -3.214 1.00 0.00 N ATOM 300 CA SER A 21 9.553 -9.329 -4.290 1.00 0.00 C ATOM 301 C SER A 21 9.001 -8.392 -5.333 1.00 0.00 C ATOM 302 O SER A 21 9.634 -7.399 -5.680 1.00 0.00 O ATOM 303 CB SER A 21 10.013 -10.648 -4.952 1.00 0.00 C ATOM 304 OG SER A 21 10.134 -11.661 -3.952 1.00 0.00 O ATOM 0 H SER A 21 8.583 -10.655 -3.066 1.00 0.00 H new ATOM 0 HA SER A 21 10.386 -8.786 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.296 -10.956 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.969 -10.502 -5.455 1.00 0.00 H new ATOM 0 HG SER A 21 10.424 -12.499 -4.369 1.00 0.00 H new ATOM 310 N GLY A 22 7.782 -8.665 -5.845 1.00 0.00 N ATOM 311 CA GLY A 22 7.203 -7.855 -6.899 1.00 0.00 C ATOM 312 C GLY A 22 6.734 -6.535 -6.362 1.00 0.00 C ATOM 313 O GLY A 22 6.789 -5.512 -7.053 1.00 0.00 O ATOM 0 H GLY A 22 7.194 -9.440 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.941 -7.691 -7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.366 -8.386 -7.353 1.00 0.00 H new ATOM 317 N CYS A 23 6.294 -6.524 -5.078 1.00 0.00 N ATOM 318 CA CYS A 23 5.777 -5.342 -4.428 1.00 0.00 C ATOM 319 C CYS A 23 6.939 -4.451 -4.093 1.00 0.00 C ATOM 320 O CYS A 23 6.767 -3.244 -3.999 1.00 0.00 O ATOM 321 CB CYS A 23 4.932 -5.586 -3.138 1.00 0.00 C ATOM 322 SG CYS A 23 4.101 -4.056 -2.551 1.00 0.00 S ATOM 0 H CYS A 23 6.297 -7.351 -4.481 1.00 0.00 H new ATOM 0 HA CYS A 23 5.080 -4.892 -5.135 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.182 -6.351 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.579 -5.971 -2.350 1.00 0.00 H new ATOM 327 N ASP A 24 8.166 -4.999 -3.941 1.00 0.00 N ATOM 328 CA ASP A 24 9.352 -4.219 -3.666 1.00 0.00 C ATOM 329 C ASP A 24 9.606 -3.255 -4.804 1.00 0.00 C ATOM 330 O ASP A 24 9.842 -2.070 -4.581 1.00 0.00 O ATOM 331 CB ASP A 24 10.590 -5.116 -3.407 1.00 0.00 C ATOM 332 CG ASP A 24 11.723 -4.325 -2.749 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.481 -3.758 -1.648 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.838 -4.282 -3.331 1.00 0.00 O ATOM 0 H ASP A 24 8.342 -6.001 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 24 9.180 -3.652 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.308 -5.952 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.939 -5.539 -4.349 1.00 0.00 H new ATOM 339 N THR A 25 9.466 -3.725 -6.063 1.00 0.00 N ATOM 340 CA THR A 25 9.487 -2.869 -7.226 1.00 0.00 C ATOM 341 C THR A 25 8.393 -1.820 -7.175 1.00 0.00 C ATOM 342 O THR A 25 8.673 -0.637 -7.366 1.00 0.00 O ATOM 343 CB THR A 25 9.375 -3.653 -8.527 1.00 0.00 C ATOM 344 OG1 THR A 25 9.068 -5.025 -8.282 1.00 0.00 O ATOM 345 CG2 THR A 25 10.729 -3.586 -9.264 1.00 0.00 C ATOM 0 H THR A 25 9.336 -4.713 -6.281 1.00 0.00 H new ATOM 0 HA THR A 25 10.456 -2.371 -7.208 1.00 0.00 H new ATOM 0 HB THR A 25 8.575 -3.215 -9.123 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.142 -5.102 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.663 -4.144 -10.198 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.975 -2.546 -9.479 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.507 -4.021 -8.636 1.00 0.00 H new ATOM 353 N LEU A 26 7.128 -2.231 -6.900 1.00 0.00 N ATOM 354 CA LEU A 26 5.982 -1.335 -6.912 1.00 0.00 C ATOM 355 C LEU A 26 6.109 -0.275 -5.847 1.00 0.00 C ATOM 356 O LEU A 26 5.843 0.907 -6.055 1.00 0.00 O ATOM 357 CB LEU A 26 4.638 -2.056 -6.641 1.00 0.00 C ATOM 358 CG LEU A 26 4.264 -3.173 -7.644 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.929 -3.831 -7.242 1.00 0.00 C ATOM 360 CD2 LEU A 26 4.222 -2.689 -9.108 1.00 0.00 C ATOM 0 H LEU A 26 6.892 -3.195 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 26 5.977 -0.908 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.673 -2.488 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.841 -1.312 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 26 5.059 -3.917 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.680 -4.615 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.022 -4.265 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.140 -3.079 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.954 -3.521 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.480 -1.896 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.202 -2.307 -9.393 1.00 0.00 H new ATOM 372 N CYS A 27 6.547 -0.695 -4.647 1.00 0.00 N ATOM 373 CA CYS A 27 6.747 0.143 -3.492 1.00 0.00 C ATOM 374 C CYS A 27 7.816 1.147 -3.800 1.00 0.00 C ATOM 375 O CYS A 27 7.645 2.337 -3.538 1.00 0.00 O ATOM 376 CB CYS A 27 7.160 -0.681 -2.242 1.00 0.00 C ATOM 377 SG CYS A 27 7.083 0.236 -0.680 1.00 0.00 S ATOM 0 H CYS A 27 6.776 -1.673 -4.467 1.00 0.00 H new ATOM 0 HA CYS A 27 5.803 0.639 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.513 -1.555 -2.168 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.176 -1.048 -2.384 1.00 0.00 H new ATOM 382 N LYS A 28 8.921 0.695 -4.437 1.00 0.00 N ATOM 383 CA LYS A 28 10.046 1.544 -4.759 1.00 0.00 C ATOM 384 C LYS A 28 9.630 2.635 -5.710 1.00 0.00 C ATOM 385 O LYS A 28 9.965 3.799 -5.501 1.00 0.00 O ATOM 386 CB LYS A 28 11.212 0.746 -5.395 1.00 0.00 C ATOM 387 CG LYS A 28 12.504 1.555 -5.622 1.00 0.00 C ATOM 388 CD LYS A 28 13.608 0.794 -6.381 1.00 0.00 C ATOM 389 CE LYS A 28 13.535 0.907 -7.917 1.00 0.00 C ATOM 390 NZ LYS A 28 12.332 0.259 -8.489 1.00 0.00 N ATOM 0 H LYS A 28 9.038 -0.274 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 28 10.392 1.977 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.442 -0.106 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.879 0.345 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.258 2.461 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.896 1.869 -4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.578 1.164 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.558 -0.260 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.542 1.960 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.426 0.454 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.470 0.110 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.177 -0.658 -8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.504 0.869 -8.337 1.00 0.00 H new ATOM 404 N GLU A 29 8.870 2.284 -6.773 1.00 0.00 N ATOM 405 CA GLU A 29 8.507 3.231 -7.806 1.00 0.00 C ATOM 406 C GLU A 29 7.414 4.183 -7.370 1.00 0.00 C ATOM 407 O GLU A 29 7.313 5.283 -7.909 1.00 0.00 O ATOM 408 CB GLU A 29 8.134 2.553 -9.149 1.00 0.00 C ATOM 409 CG GLU A 29 6.889 1.656 -9.110 1.00 0.00 C ATOM 410 CD GLU A 29 6.796 0.850 -10.403 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.633 1.481 -11.482 1.00 0.00 O ATOM 412 OE2 GLU A 29 6.893 -0.404 -10.333 1.00 0.00 O ATOM 0 H GLU A 29 8.504 1.343 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 29 9.410 3.818 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.978 3.330 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.982 1.955 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.940 0.984 -8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.994 2.265 -8.984 1.00 0.00 H new ATOM 419 N LYS A 30 6.579 3.802 -6.370 1.00 0.00 N ATOM 420 CA LYS A 30 5.590 4.693 -5.787 1.00 0.00 C ATOM 421 C LYS A 30 6.252 5.578 -4.765 1.00 0.00 C ATOM 422 O LYS A 30 5.762 6.662 -4.449 1.00 0.00 O ATOM 423 CB LYS A 30 4.421 3.942 -5.107 1.00 0.00 C ATOM 424 CG LYS A 30 3.526 3.172 -6.098 1.00 0.00 C ATOM 425 CD LYS A 30 2.753 4.060 -7.087 1.00 0.00 C ATOM 426 CE LYS A 30 1.778 3.245 -7.945 1.00 0.00 C ATOM 427 NZ LYS A 30 1.046 4.103 -8.902 1.00 0.00 N ATOM 0 H LYS A 30 6.586 2.869 -5.959 1.00 0.00 H new ATOM 0 HA LYS A 30 5.173 5.277 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.826 3.242 -4.376 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.809 4.658 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.147 2.477 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.812 2.574 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.202 4.822 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.458 4.581 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.327 2.477 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.067 2.731 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.396 3.519 -9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.503 4.820 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.724 4.574 -9.534 1.00 0.00 H new ATOM 441 N GLY A 31 7.419 5.139 -4.259 1.00 0.00 N ATOM 442 CA GLY A 31 8.329 5.994 -3.545 1.00 0.00 C ATOM 443 C GLY A 31 8.267 5.662 -2.100 1.00 0.00 C ATOM 444 O GLY A 31 8.324 6.555 -1.261 1.00 0.00 O ATOM 0 H GLY A 31 7.740 4.175 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.344 5.860 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.066 7.040 -3.703 1.00 0.00 H new ATOM 448 N GLY A 32 8.142 4.356 -1.773 1.00 0.00 N ATOM 449 CA GLY A 32 8.287 3.853 -0.435 1.00 0.00 C ATOM 450 C GLY A 32 9.630 3.210 -0.454 1.00 0.00 C ATOM 451 O GLY A 32 9.981 2.513 -1.407 1.00 0.00 O ATOM 0 H GLY A 32 7.934 3.630 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.235 4.653 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.502 3.138 -0.187 1.00 0.00 H new ATOM 455 N THR A 33 10.444 3.466 0.587 1.00 0.00 N ATOM 456 CA THR A 33 11.849 3.157 0.556 1.00 0.00 C ATOM 457 C THR A 33 12.106 1.907 1.353 1.00 0.00 C ATOM 458 O THR A 33 13.246 1.500 1.573 1.00 0.00 O ATOM 459 CB THR A 33 12.644 4.325 1.106 1.00 0.00 C ATOM 460 OG1 THR A 33 12.065 4.802 2.318 1.00 0.00 O ATOM 461 CG2 THR A 33 12.600 5.462 0.061 1.00 0.00 C ATOM 0 H THR A 33 10.129 3.891 1.459 1.00 0.00 H new ATOM 0 HA THR A 33 12.165 2.983 -0.472 1.00 0.00 H new ATOM 0 HB THR A 33 13.666 4.005 1.307 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.593 5.554 2.659 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.165 6.318 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.039 5.114 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.565 5.758 -0.112 1.00 0.00 H new ATOM 469 N SER A 34 11.041 1.262 1.843 1.00 0.00 N ATOM 470 CA SER A 34 11.119 -0.056 2.379 1.00 0.00 C ATOM 471 C SER A 34 9.686 -0.404 2.278 1.00 0.00 C ATOM 472 O SER A 34 8.863 0.498 2.098 1.00 0.00 O ATOM 473 CB SER A 34 11.586 -0.129 3.846 1.00 0.00 C ATOM 474 OG SER A 34 12.966 0.207 3.919 1.00 0.00 O ATOM 0 H SER A 34 10.104 1.664 1.868 1.00 0.00 H new ATOM 0 HA SER A 34 11.840 -0.698 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.001 0.555 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.423 -1.131 4.242 1.00 0.00 H new ATOM 0 HG SER A 34 13.269 0.536 3.047 1.00 0.00 H new ATOM 480 N GLY A 35 9.357 -1.698 2.393 1.00 0.00 N ATOM 481 CA GLY A 35 8.016 -2.132 2.284 1.00 0.00 C ATOM 482 C GLY A 35 8.135 -3.437 2.949 1.00 0.00 C ATOM 483 O GLY A 35 9.246 -3.863 3.270 1.00 0.00 O ATOM 0 H GLY A 35 10.030 -2.445 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.317 -1.466 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.685 -2.217 1.249 1.00 0.00 H new ATOM 487 N HIS A 36 6.988 -4.077 3.183 1.00 0.00 N ATOM 488 CA HIS A 36 6.865 -5.320 3.867 1.00 0.00 C ATOM 489 C HIS A 36 5.509 -5.664 3.355 1.00 0.00 C ATOM 490 O HIS A 36 5.021 -4.997 2.439 1.00 0.00 O ATOM 491 CB HIS A 36 6.850 -5.232 5.417 1.00 0.00 C ATOM 492 CG HIS A 36 8.143 -4.721 5.993 1.00 0.00 C ATOM 493 ND1 HIS A 36 8.336 -3.419 6.374 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.313 -5.371 6.196 1.00 0.00 C ATOM 495 CE1 HIS A 36 9.587 -3.288 6.796 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.202 -4.458 6.696 1.00 0.00 N ATOM 0 H HIS A 36 6.089 -3.706 2.877 1.00 0.00 H new ATOM 0 HA HIS A 36 7.690 -6.011 3.694 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.036 -4.578 5.730 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.641 -6.219 5.829 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.509 -6.415 6.000 1.00 0.00 H new ATOM 0 HE1 HIS A 36 10.033 -2.375 7.162 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.172 -4.646 6.949 1.00 0.00 H new ATOM 505 N CYS A 37 4.837 -6.670 3.926 1.00 0.00 N ATOM 506 CA CYS A 37 3.544 -7.092 3.499 1.00 0.00 C ATOM 507 C CYS A 37 3.100 -7.683 4.783 1.00 0.00 C ATOM 508 O CYS A 37 3.892 -7.736 5.727 1.00 0.00 O ATOM 509 CB CYS A 37 3.533 -8.196 2.412 1.00 0.00 C ATOM 510 SG CYS A 37 4.232 -7.607 0.842 1.00 0.00 S ATOM 0 H CYS A 37 5.203 -7.209 4.711 1.00 0.00 H new ATOM 0 HA CYS A 37 2.957 -6.294 3.044 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.102 -9.057 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.510 -8.535 2.249 1.00 0.00 H new ATOM 515 N GLY A 38 1.853 -8.150 4.855 1.00 0.00 N ATOM 516 CA GLY A 38 1.328 -8.709 6.050 1.00 0.00 C ATOM 517 C GLY A 38 -0.037 -8.953 5.544 1.00 0.00 C ATOM 518 O GLY A 38 -0.269 -8.817 4.338 1.00 0.00 O ATOM 0 H GLY A 38 1.198 -8.140 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.841 -9.619 6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.357 -8.022 6.896 1.00 0.00 H new ATOM 522 N PHE A 39 -0.975 -9.288 6.441 1.00 0.00 N ATOM 523 CA PHE A 39 -2.357 -9.407 6.085 1.00 0.00 C ATOM 524 C PHE A 39 -2.947 -8.208 6.755 1.00 0.00 C ATOM 525 O PHE A 39 -2.258 -7.495 7.492 1.00 0.00 O ATOM 526 CB PHE A 39 -2.993 -10.730 6.600 1.00 0.00 C ATOM 527 CG PHE A 39 -4.198 -11.128 5.784 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.066 -11.395 4.410 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.467 -11.243 6.375 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.178 -11.761 3.642 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.584 -11.591 5.604 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.440 -11.856 4.238 1.00 0.00 C ATOM 0 H PHE A 39 -0.778 -9.479 7.423 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.526 -9.443 5.009 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.251 -11.528 6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.284 -10.611 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.096 -11.317 3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.583 -11.062 7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.061 -11.970 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.558 -11.655 6.065 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.300 -12.133 3.646 1.00 0.00 H new ATOM 542 N LYS A 40 -4.233 -7.947 6.504 1.00 0.00 N ATOM 543 CA LYS A 40 -4.956 -6.889 7.115 1.00 0.00 C ATOM 544 C LYS A 40 -6.305 -7.486 6.903 1.00 0.00 C ATOM 545 O LYS A 40 -6.431 -8.397 6.085 1.00 0.00 O ATOM 546 CB LYS A 40 -4.819 -5.541 6.368 1.00 0.00 C ATOM 547 CG LYS A 40 -5.235 -4.316 7.198 1.00 0.00 C ATOM 548 CD LYS A 40 -5.143 -2.990 6.422 1.00 0.00 C ATOM 549 CE LYS A 40 -6.155 -2.856 5.276 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.551 -2.902 5.773 1.00 0.00 N ATOM 0 H LYS A 40 -4.792 -8.495 5.849 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.660 -6.625 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.783 -5.417 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.426 -5.576 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.258 -4.454 7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.602 -4.255 8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.289 -2.164 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.137 -2.890 6.016 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.987 -1.917 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.998 -3.659 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.038 -3.724 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.548 -2.983 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.047 -2.031 5.495 1.00 0.00 H new ATOM 564 N VAL A 41 -7.337 -7.015 7.617 1.00 0.00 N ATOM 565 CA VAL A 41 -8.676 -7.485 7.447 1.00 0.00 C ATOM 566 C VAL A 41 -9.325 -6.162 7.246 1.00 0.00 C ATOM 567 O VAL A 41 -8.735 -5.140 7.598 1.00 0.00 O ATOM 568 CB VAL A 41 -9.273 -8.231 8.639 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.919 -9.524 8.102 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.187 -8.533 9.696 1.00 0.00 C ATOM 0 H VAL A 41 -7.242 -6.291 8.329 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.789 -8.234 6.663 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.027 -7.621 9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.356 -10.083 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.698 -9.270 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.160 -10.134 7.613 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.634 -9.065 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.407 -9.150 9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.752 -7.598 10.049 1.00 0.00 H new ATOM 580 N GLY A 42 -10.510 -6.146 6.612 1.00 0.00 N ATOM 581 CA GLY A 42 -11.142 -4.930 6.170 1.00 0.00 C ATOM 582 C GLY A 42 -11.001 -4.935 4.687 1.00 0.00 C ATOM 583 O GLY A 42 -11.943 -4.642 3.958 1.00 0.00 O ATOM 0 H GLY A 42 -11.044 -6.989 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.191 -4.901 6.466 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.663 -4.055 6.608 1.00 0.00 H new ATOM 587 N HIS A 43 -9.796 -5.295 4.198 1.00 0.00 N ATOM 588 CA HIS A 43 -9.538 -5.429 2.791 1.00 0.00 C ATOM 589 C HIS A 43 -9.155 -6.864 2.592 1.00 0.00 C ATOM 590 O HIS A 43 -10.001 -7.680 2.241 1.00 0.00 O ATOM 591 CB HIS A 43 -8.429 -4.492 2.274 1.00 0.00 C ATOM 592 CG HIS A 43 -8.875 -3.064 2.061 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.722 -2.712 1.043 1.00 0.00 N ATOM 594 CD2 HIS A 43 -8.517 -1.920 2.693 1.00 0.00 C ATOM 595 CE1 HIS A 43 -9.871 -1.393 1.060 1.00 0.00 C ATOM 596 NE2 HIS A 43 -9.150 -0.889 2.051 1.00 0.00 N ATOM 0 H HIS A 43 -8.988 -5.496 4.787 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.423 -5.144 2.222 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.602 -4.501 2.983 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.046 -4.886 1.333 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.856 -1.837 3.543 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.482 -0.822 0.376 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.079 0.099 2.294 1.00 0.00 H new ATOM 605 N GLY A 44 -7.884 -7.240 2.816 1.00 0.00 N ATOM 606 CA GLY A 44 -7.444 -8.566 2.533 1.00 0.00 C ATOM 607 C GLY A 44 -5.991 -8.320 2.426 1.00 0.00 C ATOM 608 O GLY A 44 -5.496 -7.389 3.066 1.00 0.00 O ATOM 0 H GLY A 44 -7.163 -6.625 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.693 -9.269 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.871 -8.962 1.612 1.00 0.00 H new ATOM 612 N LEU A 45 -5.304 -9.113 1.570 1.00 0.00 N ATOM 613 CA LEU A 45 -3.882 -9.070 1.307 1.00 0.00 C ATOM 614 C LEU A 45 -3.562 -7.728 0.710 1.00 0.00 C ATOM 615 O LEU A 45 -4.259 -7.257 -0.186 1.00 0.00 O ATOM 616 CB LEU A 45 -3.488 -10.210 0.329 1.00 0.00 C ATOM 617 CG LEU A 45 -2.000 -10.342 -0.075 1.00 0.00 C ATOM 618 CD1 LEU A 45 -1.048 -10.586 1.113 1.00 0.00 C ATOM 619 CD2 LEU A 45 -1.848 -11.466 -1.121 1.00 0.00 C ATOM 0 H LEU A 45 -5.773 -9.835 1.023 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.319 -9.211 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.797 -11.155 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.071 -10.083 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.706 -9.382 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.024 -10.667 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.119 -9.753 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.327 -11.510 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.800 -11.559 -1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.193 -12.408 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.443 -11.226 -2.002 1.00 0.00 H new ATOM 631 N ALA A 46 -2.530 -7.053 1.238 1.00 0.00 N ATOM 632 CA ALA A 46 -2.320 -5.655 1.046 1.00 0.00 C ATOM 633 C ALA A 46 -0.840 -5.634 1.124 1.00 0.00 C ATOM 634 O ALA A 46 -0.261 -6.687 1.402 1.00 0.00 O ATOM 635 CB ALA A 46 -2.924 -4.824 2.192 1.00 0.00 C ATOM 0 H ALA A 46 -1.817 -7.495 1.818 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.766 -5.242 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.743 -3.765 2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.998 -5.004 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.460 -5.113 3.135 1.00 0.00 H new ATOM 641 N CYS A 47 -0.172 -4.481 0.905 1.00 0.00 N ATOM 642 CA CYS A 47 1.279 -4.506 0.945 1.00 0.00 C ATOM 643 C CYS A 47 1.565 -3.402 1.911 1.00 0.00 C ATOM 644 O CYS A 47 0.634 -2.682 2.256 1.00 0.00 O ATOM 645 CB CYS A 47 1.898 -4.334 -0.474 1.00 0.00 C ATOM 646 SG CYS A 47 3.719 -4.325 -0.573 1.00 0.00 S ATOM 0 H CYS A 47 -0.598 -3.575 0.710 1.00 0.00 H new ATOM 0 HA CYS A 47 1.726 -5.448 1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.526 -5.139 -1.108 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.529 -3.399 -0.896 1.00 0.00 H new ATOM 651 N TRP A 48 2.809 -3.241 2.413 1.00 0.00 N ATOM 652 CA TRP A 48 3.165 -2.189 3.338 1.00 0.00 C ATOM 653 C TRP A 48 4.219 -1.444 2.599 1.00 0.00 C ATOM 654 O TRP A 48 4.941 -2.044 1.803 1.00 0.00 O ATOM 655 CB TRP A 48 3.713 -2.711 4.707 1.00 0.00 C ATOM 656 CG TRP A 48 4.217 -1.680 5.725 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.441 -1.072 5.788 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.465 -1.177 6.845 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.487 -0.182 6.839 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.285 -0.233 7.504 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.187 -1.459 7.307 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.830 0.451 8.627 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.727 -0.773 8.441 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.535 0.173 9.089 1.00 0.00 C ATOM 0 H TRP A 48 3.588 -3.854 2.173 1.00 0.00 H new ATOM 0 HA TRP A 48 2.298 -1.591 3.617 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.922 -3.291 5.183 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.531 -3.400 4.498 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.258 -1.263 5.108 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.279 0.414 7.082 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.564 -2.186 6.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.456 1.175 9.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.737 -0.976 8.821 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.155 0.694 9.955 1.00 0.00 H new ATOM 675 N CYS A 49 4.337 -0.124 2.847 1.00 0.00 N ATOM 676 CA CYS A 49 5.405 0.662 2.313 1.00 0.00 C ATOM 677 C CYS A 49 5.707 1.553 3.459 1.00 0.00 C ATOM 678 O CYS A 49 4.814 1.853 4.250 1.00 0.00 O ATOM 679 CB CYS A 49 5.033 1.517 1.092 1.00 0.00 C ATOM 680 SG CYS A 49 5.098 0.562 -0.445 1.00 0.00 S ATOM 0 H CYS A 49 3.682 0.402 3.425 1.00 0.00 H new ATOM 0 HA CYS A 49 6.218 0.033 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.030 1.923 1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.714 2.365 1.022 1.00 0.00 H new ATOM 685 N ASN A 50 6.982 1.959 3.586 1.00 0.00 N ATOM 686 CA ASN A 50 7.440 2.783 4.665 1.00 0.00 C ATOM 687 C ASN A 50 8.012 3.972 3.966 1.00 0.00 C ATOM 688 O ASN A 50 8.807 3.806 3.040 1.00 0.00 O ATOM 689 CB ASN A 50 8.557 2.098 5.503 1.00 0.00 C ATOM 690 CG ASN A 50 8.301 2.300 7.001 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.358 1.695 7.526 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.135 3.128 7.692 1.00 0.00 N ATOM 0 H ASN A 50 7.715 1.709 2.922 1.00 0.00 H new ATOM 0 HA ASN A 50 6.637 3.008 5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.591 1.033 5.274 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.528 2.513 5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.996 3.273 8.692 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.898 3.603 7.209 1.00 0.00 H new ATOM 699 N ALA A 51 7.609 5.183 4.410 1.00 0.00 N ATOM 700 CA ALA A 51 8.080 6.466 3.956 1.00 0.00 C ATOM 701 C ALA A 51 7.559 6.775 2.586 1.00 0.00 C ATOM 702 O ALA A 51 8.324 7.097 1.680 1.00 0.00 O ATOM 703 CB ALA A 51 9.604 6.681 4.029 1.00 0.00 C ATOM 0 H ALA A 51 6.902 5.272 5.140 1.00 0.00 H new ATOM 0 HA ALA A 51 7.671 7.176 4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.849 7.678 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.936 6.582 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.107 5.935 3.413 1.00 0.00 H new ATOM 709 N LEU A 52 6.216 6.721 2.427 1.00 0.00 N ATOM 710 CA LEU A 52 5.570 7.143 1.202 1.00 0.00 C ATOM 711 C LEU A 52 5.260 8.591 1.427 1.00 0.00 C ATOM 712 O LEU A 52 4.729 8.896 2.495 1.00 0.00 O ATOM 713 CB LEU A 52 4.213 6.456 0.894 1.00 0.00 C ATOM 714 CG LEU A 52 4.343 5.043 0.284 1.00 0.00 C ATOM 715 CD1 LEU A 52 2.997 4.305 0.344 1.00 0.00 C ATOM 716 CD2 LEU A 52 4.860 5.059 -1.166 1.00 0.00 C ATOM 0 H LEU A 52 5.574 6.386 3.145 1.00 0.00 H new ATOM 0 HA LEU A 52 6.232 6.901 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.635 6.390 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.647 7.086 0.207 1.00 0.00 H new ATOM 0 HG LEU A 52 5.083 4.516 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.107 3.311 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.678 4.214 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.249 4.865 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.930 4.037 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.172 5.627 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.845 5.524 -1.196 1.00 0.00 H new ATOM 728 N PRO A 53 5.532 9.527 0.528 1.00 0.00 N ATOM 729 CA PRO A 53 5.122 10.906 0.694 1.00 0.00 C ATOM 730 C PRO A 53 3.626 11.020 0.550 1.00 0.00 C ATOM 731 O PRO A 53 2.949 10.063 0.178 1.00 0.00 O ATOM 732 CB PRO A 53 5.836 11.681 -0.432 1.00 0.00 C ATOM 733 CG PRO A 53 6.878 10.708 -1.006 1.00 0.00 C ATOM 734 CD PRO A 53 6.295 9.329 -0.700 1.00 0.00 C ATOM 0 HA PRO A 53 5.380 11.297 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.130 11.997 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.312 12.583 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.016 10.855 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.853 10.843 -0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.659 8.977 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.081 8.586 -0.565 1.00 0.00 H new ATOM 742 N ASP A 54 3.072 12.203 0.829 1.00 0.00 N ATOM 743 CA ASP A 54 1.645 12.358 0.946 1.00 0.00 C ATOM 744 C ASP A 54 0.997 12.634 -0.387 1.00 0.00 C ATOM 745 O ASP A 54 -0.097 13.194 -0.450 1.00 0.00 O ATOM 746 CB ASP A 54 1.278 13.508 1.906 1.00 0.00 C ATOM 747 CG ASP A 54 2.008 13.356 3.247 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.171 13.835 3.345 1.00 0.00 O ATOM 749 OD2 ASP A 54 1.419 12.760 4.187 1.00 0.00 O ATOM 0 H ASP A 54 3.603 13.061 0.976 1.00 0.00 H new ATOM 0 HA ASP A 54 1.273 11.413 1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.539 14.464 1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.201 13.518 2.073 1.00 0.00 H new ATOM 754 N ASN A 55 1.646 12.226 -1.498 1.00 0.00 N ATOM 755 CA ASN A 55 1.085 12.310 -2.824 1.00 0.00 C ATOM 756 C ASN A 55 0.529 10.959 -3.174 1.00 0.00 C ATOM 757 O ASN A 55 -0.106 10.800 -4.214 1.00 0.00 O ATOM 758 CB ASN A 55 2.107 12.742 -3.921 1.00 0.00 C ATOM 759 CG ASN A 55 3.240 11.719 -4.123 1.00 0.00 C ATOM 760 OD1 ASN A 55 3.890 11.317 -3.152 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.461 11.274 -5.394 1.00 0.00 N ATOM 0 H ASN A 55 2.585 11.827 -1.478 1.00 0.00 H new ATOM 0 HA ASN A 55 0.318 13.084 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.580 12.884 -4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.539 13.705 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.188 10.581 -5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.899 11.634 -6.165 1.00 0.00 H new ATOM 768 N VAL A 56 0.784 9.948 -2.318 1.00 0.00 N ATOM 769 CA VAL A 56 0.399 8.589 -2.561 1.00 0.00 C ATOM 770 C VAL A 56 -0.841 8.432 -1.739 1.00 0.00 C ATOM 771 O VAL A 56 -0.923 8.984 -0.644 1.00 0.00 O ATOM 772 CB VAL A 56 1.479 7.604 -2.122 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.221 6.226 -2.770 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.861 8.196 -2.497 1.00 0.00 C ATOM 0 H VAL A 56 1.272 10.080 -1.432 1.00 0.00 H new ATOM 0 HA VAL A 56 0.244 8.381 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 56 1.459 7.450 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.994 5.525 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.245 5.854 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.242 6.325 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.647 7.506 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.911 8.348 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.998 9.151 -1.989 1.00 0.00 H new ATOM 784 N GLY A 57 -1.842 7.678 -2.224 1.00 0.00 N ATOM 785 CA GLY A 57 -3.037 7.410 -1.472 1.00 0.00 C ATOM 786 C GLY A 57 -2.897 5.965 -1.205 1.00 0.00 C ATOM 787 O GLY A 57 -2.303 5.251 -2.013 1.00 0.00 O ATOM 0 H GLY A 57 -1.827 7.247 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.084 7.995 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.939 7.637 -2.040 1.00 0.00 H new ATOM 791 N ILE A 58 -3.382 5.520 -0.038 1.00 0.00 N ATOM 792 CA ILE A 58 -3.073 4.236 0.510 1.00 0.00 C ATOM 793 C ILE A 58 -4.363 3.803 1.130 1.00 0.00 C ATOM 794 O ILE A 58 -5.424 4.147 0.608 1.00 0.00 O ATOM 795 CB ILE A 58 -1.917 4.298 1.502 1.00 0.00 C ATOM 796 CG1 ILE A 58 -2.094 5.363 2.613 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.621 4.543 0.704 1.00 0.00 C ATOM 798 CD1 ILE A 58 -1.028 5.238 3.699 1.00 0.00 C ATOM 0 H ILE A 58 -4.011 6.070 0.547 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.722 3.525 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.879 3.348 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.047 6.359 2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.082 5.259 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.225 4.592 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.469 3.727 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.701 5.484 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.190 6.004 4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.091 4.252 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.041 5.369 3.256 1.00 0.00 H new ATOM 810 N ILE A 59 -4.311 3.046 2.253 1.00 0.00 N ATOM 811 CA ILE A 59 -5.483 2.652 2.999 1.00 0.00 C ATOM 812 C ILE A 59 -6.026 3.897 3.648 1.00 0.00 C ATOM 813 O ILE A 59 -5.319 4.619 4.347 1.00 0.00 O ATOM 814 CB ILE A 59 -5.261 1.582 4.066 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.354 0.430 3.585 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.623 1.041 4.548 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.803 -0.322 2.338 1.00 0.00 C ATOM 0 H ILE A 59 -3.438 2.700 2.651 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.172 2.191 2.291 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.737 2.054 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.360 0.836 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.257 -0.289 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.462 0.278 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.210 1.857 4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.160 0.606 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.081 -1.105 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.780 -0.771 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.869 0.371 1.499 1.00 0.00 H new ATOM 829 N VAL A 60 -7.299 4.180 3.359 1.00 0.00 N ATOM 830 CA VAL A 60 -7.958 5.425 3.649 1.00 0.00 C ATOM 831 C VAL A 60 -9.301 4.966 4.202 1.00 0.00 C ATOM 832 O VAL A 60 -10.329 5.646 4.241 1.00 0.00 O ATOM 833 CB VAL A 60 -7.911 6.230 2.344 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.265 6.721 1.817 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.871 7.353 2.518 1.00 0.00 C ATOM 0 H VAL A 60 -7.912 3.509 2.897 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.539 6.111 4.385 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.604 5.555 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.115 7.278 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.913 5.866 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.731 7.369 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.816 7.943 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.165 7.996 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.895 6.916 2.727 1.00 0.00 H new