USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 37 ASN :FLIP amide:sc= 0.888 F(o=1,f=2.1) USER MOD Set 1.2: A 42 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 1 VAL N :NH3+ -149:sc= 0.0631 (180deg=-0.634) USER MOD Single : A 2 THR OG1 : rot -140:sc= 0.00704 USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= 1.63 (180deg=0.326) USER MOD Single : A 12 MET CE :methyl 170:sc= -1.22 (180deg=-1.72) USER MOD Single : A 13 THR OG1 : rot 63:sc= 0.207 USER MOD Single : A 14 CYS SG : rot -39:sc= 0.0362 USER MOD Single : A 17 CYS SG : rot -160:sc= -2.5 USER MOD Single : A 19 ASN : amide:sc= 0.815 K(o=0.81,f=-0.0082) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0775 X(o=-0.078,f=-0.012) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 1.1 K(o=1.1,f=-0.32) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 48 ASN : amide:sc= -0.0379 K(o=-0.038,f=-7.4!) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= -0.0399 (180deg=-0.214) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= -0.387 (180deg=-1.03) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0203) USER MOD Single : A 66 TYR OH : rot 30:sc=-0.00644 USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= 1.14 (180deg=-1.28!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -128:sc= 1.13 (180deg=0.689) USER MOD Single : A 74 GLN : amide:sc= -0.697 K(o=-0.7,f=-15!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.124 13.832 9.756 1.00 10.00 N ATOM 2 CA VAL A 1 -8.551 12.442 9.942 1.00 10.00 C ATOM 3 C VAL A 1 -7.628 11.600 9.060 1.00 10.00 C ATOM 4 O VAL A 1 -6.435 11.892 9.062 1.00 10.00 O ATOM 5 CB VAL A 1 -10.048 12.290 9.629 1.00 10.00 C ATOM 6 CG1 VAL A 1 -10.574 10.904 10.036 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.904 13.350 10.333 1.00 10.00 C ATOM 0 H1 VAL A 1 -8.296 14.368 10.631 1.00 10.00 H new ATOM 0 H2 VAL A 1 -7.109 13.856 9.529 1.00 10.00 H new ATOM 0 H3 VAL A 1 -8.663 14.260 8.976 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.461 12.102 10.974 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.134 12.420 8.550 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.636 10.834 9.799 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -10.029 10.133 9.491 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.431 10.761 11.107 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.953 13.198 10.079 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -10.776 13.263 11.412 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -10.592 14.343 10.009 1.00 10.00 H new ATOM 19 N THR A 2 -8.150 10.639 8.297 1.00 10.00 N ATOM 20 CA THR A 2 -7.383 9.757 7.437 1.00 10.00 C ATOM 21 C THR A 2 -7.721 10.030 5.966 1.00 10.00 C ATOM 22 O THR A 2 -8.882 10.234 5.593 1.00 10.00 O ATOM 23 CB THR A 2 -7.692 8.314 7.831 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.095 8.146 7.912 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.072 7.968 9.192 1.00 10.00 C ATOM 0 H THR A 2 -9.152 10.452 8.264 1.00 10.00 H new ATOM 0 HA THR A 2 -6.315 9.936 7.559 1.00 10.00 H new ATOM 0 HB THR A 2 -7.268 7.652 7.076 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.313 7.581 8.682 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.308 6.935 9.447 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.990 8.091 9.141 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.477 8.632 9.956 1.00 10.00 H new ATOM 33 N GLU A 3 -6.682 10.053 5.136 1.00 10.00 N ATOM 34 CA GLU A 3 -6.704 10.575 3.788 1.00 10.00 C ATOM 35 C GLU A 3 -6.421 9.441 2.808 1.00 10.00 C ATOM 36 O GLU A 3 -5.797 8.442 3.160 1.00 10.00 O ATOM 37 CB GLU A 3 -5.679 11.714 3.704 1.00 10.00 C ATOM 38 CG GLU A 3 -6.287 12.997 3.123 1.00 10.00 C ATOM 39 CD GLU A 3 -5.585 14.233 3.677 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.351 14.159 3.853 1.00 10.00 O ATOM 41 OE2 GLU A 3 -6.311 15.203 3.980 1.00 10.00 O ATOM 0 H GLU A 3 -5.767 9.691 5.403 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.680 10.982 3.524 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.284 11.919 4.699 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.838 11.400 3.085 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.204 12.983 2.036 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.350 13.040 3.361 1.00 10.00 H new ATOM 48 N LYS A 4 -6.956 9.591 1.599 1.00 10.00 N ATOM 49 CA LYS A 4 -6.975 8.571 0.569 1.00 10.00 C ATOM 50 C LYS A 4 -5.667 8.674 -0.211 1.00 10.00 C ATOM 51 O LYS A 4 -5.298 9.766 -0.625 1.00 10.00 O ATOM 52 CB LYS A 4 -8.205 8.822 -0.325 1.00 10.00 C ATOM 53 CG LYS A 4 -9.442 8.009 0.092 1.00 10.00 C ATOM 54 CD LYS A 4 -9.871 8.177 1.558 1.00 10.00 C ATOM 55 CE LYS A 4 -10.461 9.557 1.878 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.709 9.724 3.331 1.00 10.00 N ATOM 0 H LYS A 4 -7.403 10.460 1.305 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.053 7.564 0.979 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.452 9.883 -0.300 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -7.951 8.578 -1.356 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -10.277 8.293 -0.549 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -9.243 6.953 -0.093 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.609 7.412 1.801 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -9.008 8.003 2.201 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -9.778 10.334 1.534 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.395 9.689 1.332 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.384 10.501 3.481 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -11.103 8.844 3.719 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -9.814 9.944 3.813 1.00 10.00 H new ATOM 70 N ALA A 5 -4.964 7.554 -0.392 1.00 10.00 N ATOM 71 CA ALA A 5 -3.762 7.458 -1.203 1.00 10.00 C ATOM 72 C ALA A 5 -3.848 6.213 -2.094 1.00 10.00 C ATOM 73 O ALA A 5 -4.232 5.146 -1.613 1.00 10.00 O ATOM 74 CB ALA A 5 -2.558 7.400 -0.269 1.00 10.00 C ATOM 0 H ALA A 5 -5.228 6.667 0.037 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.658 8.325 -1.855 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.644 7.328 -0.858 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.526 8.303 0.340 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.642 6.528 0.379 1.00 10.00 H new ATOM 80 N GLU A 6 -3.474 6.339 -3.371 1.00 10.00 N ATOM 81 CA GLU A 6 -3.379 5.240 -4.315 1.00 10.00 C ATOM 82 C GLU A 6 -1.933 5.101 -4.728 1.00 10.00 C ATOM 83 O GLU A 6 -1.211 6.098 -4.777 1.00 10.00 O ATOM 84 CB GLU A 6 -4.184 5.508 -5.584 1.00 10.00 C ATOM 85 CG GLU A 6 -5.643 5.122 -5.397 1.00 10.00 C ATOM 86 CD GLU A 6 -6.394 5.014 -6.722 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.744 5.204 -7.774 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.603 4.702 -6.649 1.00 10.00 O ATOM 0 H GLU A 6 -3.223 7.239 -3.781 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.768 4.344 -3.831 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.114 6.564 -5.847 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.759 4.944 -6.414 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.699 4.168 -4.873 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.133 5.862 -4.765 1.00 10.00 H new ATOM 95 N PHE A 7 -1.546 3.872 -5.066 1.00 10.00 N ATOM 96 CA PHE A 7 -0.176 3.521 -5.380 1.00 10.00 C ATOM 97 C PHE A 7 -0.159 2.571 -6.575 1.00 10.00 C ATOM 98 O PHE A 7 -1.000 1.671 -6.662 1.00 10.00 O ATOM 99 CB PHE A 7 0.513 2.909 -4.151 1.00 10.00 C ATOM 100 CG PHE A 7 0.287 3.634 -2.845 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.935 3.481 -2.172 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.293 4.442 -2.290 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.196 4.218 -1.015 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.051 5.126 -1.087 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.197 5.025 -0.455 1.00 10.00 C ATOM 0 H PHE A 7 -2.192 3.085 -5.128 1.00 10.00 H new ATOM 0 HA PHE A 7 0.383 4.417 -5.649 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.169 1.881 -4.039 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.585 2.867 -4.342 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.675 2.792 -2.550 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.248 4.537 -2.786 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.170 4.166 -0.551 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.829 5.732 -0.647 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.387 5.567 0.460 1.00 10.00 H new ATOM 115 N ASP A 8 0.788 2.802 -7.487 1.00 10.00 N ATOM 116 CA ASP A 8 0.955 2.081 -8.740 1.00 10.00 C ATOM 117 C ASP A 8 2.106 1.085 -8.569 1.00 10.00 C ATOM 118 O ASP A 8 3.136 1.441 -7.988 1.00 10.00 O ATOM 119 CB ASP A 8 1.220 3.108 -9.853 1.00 10.00 C ATOM 120 CG ASP A 8 0.666 2.646 -11.193 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.004 1.514 -11.584 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.112 3.429 -11.795 1.00 10.00 O ATOM 0 H ASP A 8 1.489 3.532 -7.361 1.00 10.00 H new ATOM 0 HA ASP A 8 0.064 1.516 -9.014 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.768 4.062 -9.582 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.293 3.278 -9.943 1.00 10.00 H new ATOM 127 N ILE A 9 1.887 -0.178 -8.946 1.00 10.00 N ATOM 128 CA ILE A 9 2.721 -1.325 -8.609 1.00 10.00 C ATOM 129 C ILE A 9 3.365 -1.916 -9.860 1.00 10.00 C ATOM 130 O ILE A 9 2.794 -1.842 -10.945 1.00 10.00 O ATOM 131 CB ILE A 9 1.870 -2.431 -7.946 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.585 -1.937 -7.279 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.718 -3.193 -6.927 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.862 -0.996 -6.123 1.00 10.00 C ATOM 0 H ILE A 9 1.085 -0.436 -9.521 1.00 10.00 H new ATOM 0 HA ILE A 9 3.494 -0.976 -7.924 1.00 10.00 H new ATOM 0 HB ILE A 9 1.550 -3.083 -8.759 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.033 -1.428 -8.019 1.00 10.00 H new ATOM 0 HG13 ILE A 9 0.013 -2.792 -6.919 1.00 10.00 H new ATOM 0 HG21 ILE A 9 2.114 -3.972 -6.461 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.571 -3.647 -7.431 1.00 10.00 H new ATOM 0 HG23 ILE A 9 3.074 -2.503 -6.161 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.081 -0.673 -5.683 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.457 -1.511 -5.369 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.410 -0.126 -6.485 1.00 10.00 H new ATOM 146 N GLU A 10 4.515 -2.572 -9.681 1.00 10.00 N ATOM 147 CA GLU A 10 5.150 -3.392 -10.684 1.00 10.00 C ATOM 148 C GLU A 10 5.451 -4.758 -10.065 1.00 10.00 C ATOM 149 O GLU A 10 6.562 -4.975 -9.581 1.00 10.00 O ATOM 150 CB GLU A 10 6.434 -2.687 -11.132 1.00 10.00 C ATOM 151 CG GLU A 10 6.155 -1.465 -12.014 1.00 10.00 C ATOM 152 CD GLU A 10 7.455 -0.821 -12.474 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.101 -0.179 -11.616 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.795 -1.001 -13.662 1.00 10.00 O ATOM 0 H GLU A 10 5.035 -2.538 -8.804 1.00 10.00 H new ATOM 0 HA GLU A 10 4.509 -3.538 -11.554 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.999 -2.376 -10.254 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.059 -3.392 -11.680 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.566 -1.764 -12.881 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.561 -0.739 -11.459 1.00 10.00 H new ATOM 161 N GLY A 11 4.485 -5.681 -10.091 1.00 10.00 N ATOM 162 CA GLY A 11 4.757 -7.100 -9.930 1.00 10.00 C ATOM 163 C GLY A 11 4.165 -7.684 -8.652 1.00 10.00 C ATOM 164 O GLY A 11 4.908 -8.221 -7.830 1.00 10.00 O ATOM 0 H GLY A 11 3.498 -5.460 -10.224 1.00 10.00 H new ATOM 0 HA2 GLY A 11 4.356 -7.640 -10.788 1.00 10.00 H new ATOM 0 HA3 GLY A 11 5.835 -7.259 -9.929 1.00 10.00 H new ATOM 168 N MET A 12 2.836 -7.651 -8.509 1.00 10.00 N ATOM 169 CA MET A 12 2.134 -8.362 -7.442 1.00 10.00 C ATOM 170 C MET A 12 0.992 -9.239 -7.989 1.00 10.00 C ATOM 171 O MET A 12 -0.072 -9.395 -7.385 1.00 10.00 O ATOM 172 CB MET A 12 1.740 -7.389 -6.319 1.00 10.00 C ATOM 173 CG MET A 12 0.553 -6.482 -6.648 1.00 10.00 C ATOM 174 SD MET A 12 -0.021 -5.510 -5.234 1.00 10.00 S ATOM 175 CE MET A 12 -1.609 -4.976 -5.892 1.00 10.00 C ATOM 0 H MET A 12 2.219 -7.130 -9.131 1.00 10.00 H new ATOM 0 HA MET A 12 2.810 -9.081 -6.979 1.00 10.00 H new ATOM 0 HB2 MET A 12 1.503 -7.965 -5.424 1.00 10.00 H new ATOM 0 HB3 MET A 12 2.601 -6.765 -6.078 1.00 10.00 H new ATOM 0 HG2 MET A 12 0.835 -5.805 -7.455 1.00 10.00 H new ATOM 0 HG3 MET A 12 -0.270 -7.093 -7.018 1.00 10.00 H new ATOM 0 HE1 MET A 12 -2.193 -4.510 -5.099 1.00 10.00 H new ATOM 0 HE2 MET A 12 -1.447 -4.256 -6.694 1.00 10.00 H new ATOM 0 HE3 MET A 12 -2.150 -5.838 -6.282 1.00 10.00 H new ATOM 185 N THR A 13 1.233 -9.914 -9.109 1.00 10.00 N ATOM 186 CA THR A 13 0.213 -10.657 -9.834 1.00 10.00 C ATOM 187 C THR A 13 0.167 -12.093 -9.322 1.00 10.00 C ATOM 188 O THR A 13 0.293 -13.026 -10.113 1.00 10.00 O ATOM 189 CB THR A 13 0.523 -10.622 -11.339 1.00 10.00 C ATOM 190 OG1 THR A 13 1.796 -11.192 -11.564 1.00 10.00 O ATOM 191 CG2 THR A 13 0.509 -9.199 -11.886 1.00 10.00 C ATOM 0 H THR A 13 2.155 -9.960 -9.542 1.00 10.00 H new ATOM 0 HA THR A 13 -0.763 -10.200 -9.671 1.00 10.00 H new ATOM 0 HB THR A 13 -0.250 -11.190 -11.856 1.00 10.00 H new ATOM 0 HG1 THR A 13 1.783 -12.135 -11.299 1.00 10.00 H new ATOM 0 HG21 THR A 13 0.733 -9.217 -12.953 1.00 10.00 H new ATOM 0 HG22 THR A 13 -0.476 -8.759 -11.729 1.00 10.00 H new ATOM 0 HG23 THR A 13 1.260 -8.603 -11.368 1.00 10.00 H new ATOM 199 N CYS A 14 0.029 -12.276 -8.006 1.00 10.00 N ATOM 200 CA CYS A 14 -0.038 -13.623 -7.432 1.00 10.00 C ATOM 201 C CYS A 14 -1.114 -13.733 -6.351 1.00 10.00 C ATOM 202 O CYS A 14 -1.243 -14.773 -5.713 1.00 10.00 O ATOM 203 CB CYS A 14 1.355 -14.044 -6.938 1.00 10.00 C ATOM 204 SG CYS A 14 1.412 -15.823 -6.614 1.00 10.00 S ATOM 0 H CYS A 14 -0.038 -11.519 -7.325 1.00 10.00 H new ATOM 0 HA CYS A 14 -0.342 -14.323 -8.210 1.00 10.00 H new ATOM 0 HB2 CYS A 14 2.105 -13.782 -7.684 1.00 10.00 H new ATOM 0 HB3 CYS A 14 1.604 -13.496 -6.029 1.00 10.00 H new ATOM 0 HG CYS A 14 0.293 -16.201 -6.072 1.00 10.00 H new ATOM 210 N ALA A 15 -1.903 -12.671 -6.140 1.00 10.00 N ATOM 211 CA ALA A 15 -2.972 -12.577 -5.153 1.00 10.00 C ATOM 212 C ALA A 15 -2.458 -12.596 -3.711 1.00 10.00 C ATOM 213 O ALA A 15 -2.711 -11.653 -2.965 1.00 10.00 O ATOM 214 CB ALA A 15 -4.072 -13.617 -5.397 1.00 10.00 C ATOM 0 H ALA A 15 -1.803 -11.814 -6.684 1.00 10.00 H new ATOM 0 HA ALA A 15 -3.428 -11.597 -5.290 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -4.848 -13.511 -4.639 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -4.506 -13.462 -6.385 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -3.645 -14.618 -5.341 1.00 10.00 H new ATOM 220 N ALA A 16 -1.720 -13.634 -3.311 1.00 10.00 N ATOM 221 CA ALA A 16 -1.168 -13.809 -1.983 1.00 10.00 C ATOM 222 C ALA A 16 -0.204 -12.672 -1.681 1.00 10.00 C ATOM 223 O ALA A 16 -0.126 -12.211 -0.544 1.00 10.00 O ATOM 224 CB ALA A 16 -0.439 -15.153 -1.915 1.00 10.00 C ATOM 0 H ALA A 16 -1.486 -14.404 -3.938 1.00 10.00 H new ATOM 0 HA ALA A 16 -1.969 -13.798 -1.243 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.021 -15.290 -0.918 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -1.141 -15.959 -2.129 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.365 -15.168 -2.650 1.00 10.00 H new ATOM 230 N CYS A 17 0.535 -12.231 -2.704 1.00 10.00 N ATOM 231 CA CYS A 17 1.498 -11.163 -2.549 1.00 10.00 C ATOM 232 C CYS A 17 0.761 -9.849 -2.268 1.00 10.00 C ATOM 233 O CYS A 17 1.003 -9.217 -1.240 1.00 10.00 O ATOM 234 CB CYS A 17 2.481 -11.102 -3.727 1.00 10.00 C ATOM 235 SG CYS A 17 1.626 -10.850 -5.280 1.00 10.00 S ATOM 0 H CYS A 17 0.476 -12.607 -3.650 1.00 10.00 H new ATOM 0 HA CYS A 17 2.132 -11.362 -1.685 1.00 10.00 H new ATOM 0 HB2 CYS A 17 3.193 -10.293 -3.567 1.00 10.00 H new ATOM 0 HB3 CYS A 17 3.055 -12.028 -3.772 1.00 10.00 H new ATOM 0 HG CYS A 17 2.394 -11.216 -6.263 1.00 10.00 H new ATOM 241 N ALA A 18 -0.222 -9.495 -3.103 1.00 10.00 N ATOM 242 CA ALA A 18 -1.091 -8.351 -2.877 1.00 10.00 C ATOM 243 C ALA A 18 -1.723 -8.439 -1.487 1.00 10.00 C ATOM 244 O ALA A 18 -1.686 -7.492 -0.711 1.00 10.00 O ATOM 245 CB ALA A 18 -2.155 -8.298 -3.973 1.00 10.00 C ATOM 0 H ALA A 18 -0.433 -10.004 -3.961 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.509 -7.430 -2.918 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.808 -7.441 -3.805 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -1.672 -8.201 -4.945 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -2.746 -9.214 -3.951 1.00 10.00 H new ATOM 251 N ASN A 19 -2.242 -9.616 -1.137 1.00 10.00 N ATOM 252 CA ASN A 19 -2.858 -9.843 0.176 1.00 10.00 C ATOM 253 C ASN A 19 -1.869 -9.640 1.337 1.00 10.00 C ATOM 254 O ASN A 19 -2.278 -9.463 2.487 1.00 10.00 O ATOM 255 CB ASN A 19 -3.485 -11.244 0.265 1.00 10.00 C ATOM 256 CG ASN A 19 -4.903 -11.311 -0.297 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.849 -11.593 0.431 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.062 -11.113 -1.603 1.00 10.00 N ATOM 0 H ASN A 19 -2.249 -10.433 -1.747 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.643 -9.094 0.274 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.855 -11.951 -0.274 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.500 -11.562 1.308 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -5.988 -11.195 -2.022 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.258 -10.880 -2.185 1.00 10.00 H new ATOM 265 N ARG A 20 -0.562 -9.698 1.069 1.00 10.00 N ATOM 266 CA ARG A 20 0.484 -9.486 2.051 1.00 10.00 C ATOM 267 C ARG A 20 0.643 -7.984 2.285 1.00 10.00 C ATOM 268 O ARG A 20 0.855 -7.568 3.428 1.00 10.00 O ATOM 269 CB ARG A 20 1.780 -10.145 1.554 1.00 10.00 C ATOM 270 CG ARG A 20 2.671 -10.674 2.689 1.00 10.00 C ATOM 271 CD ARG A 20 2.928 -12.177 2.521 1.00 10.00 C ATOM 272 NE ARG A 20 1.678 -12.951 2.602 1.00 10.00 N ATOM 273 CZ ARG A 20 1.584 -14.283 2.450 1.00 10.00 C ATOM 274 NH1 ARG A 20 2.673 -14.993 2.134 1.00 10.00 N ATOM 275 NH2 ARG A 20 0.410 -14.897 2.624 1.00 10.00 N ATOM 0 H ARG A 20 -0.201 -9.899 0.136 1.00 10.00 H new ATOM 0 HA ARG A 20 0.229 -9.945 3.006 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.527 -10.969 0.887 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.345 -9.421 0.966 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.619 -10.136 2.694 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.193 -10.487 3.651 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.409 -12.360 1.560 1.00 10.00 H new ATOM 0 HD3 ARG A 20 3.619 -12.518 3.293 1.00 10.00 H new ATOM 0 HE ARG A 20 0.817 -12.437 2.788 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.570 -14.523 2.009 1.00 10.00 H new ATOM 0 HH12 ARG A 20 2.607 -16.004 2.018 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -0.417 -14.355 2.873 1.00 10.00 H new ATOM 0 HH22 ARG A 20 0.341 -15.908 2.508 1.00 10.00 H new ATOM 289 N ILE A 21 0.500 -7.175 1.221 1.00 10.00 N ATOM 290 CA ILE A 21 0.454 -5.720 1.332 1.00 10.00 C ATOM 291 C ILE A 21 -0.432 -5.320 2.496 1.00 10.00 C ATOM 292 O ILE A 21 0.040 -4.608 3.369 1.00 10.00 O ATOM 293 CB ILE A 21 -0.055 -5.012 0.061 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.671 -5.433 -1.215 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.059 -3.493 0.229 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.106 -4.915 -1.240 1.00 10.00 C ATOM 0 H ILE A 21 0.414 -7.518 0.264 1.00 10.00 H new ATOM 0 HA ILE A 21 1.485 -5.401 1.487 1.00 10.00 H new ATOM 0 HB ILE A 21 -1.096 -5.315 -0.056 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.674 -6.520 -1.291 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.132 -5.055 -2.083 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.302 -2.999 -0.673 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.541 -3.175 1.082 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.101 -3.223 0.398 1.00 10.00 H new ATOM 0 HD11 ILE A 21 2.592 -5.234 -2.162 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.101 -3.826 -1.190 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.652 -5.315 -0.385 1.00 10.00 H new ATOM 308 N GLU A 22 -1.680 -5.794 2.534 1.00 10.00 N ATOM 309 CA GLU A 22 -2.621 -5.466 3.596 1.00 10.00 C ATOM 310 C GLU A 22 -1.971 -5.551 4.979 1.00 10.00 C ATOM 311 O GLU A 22 -2.131 -4.655 5.797 1.00 10.00 O ATOM 312 CB GLU A 22 -3.808 -6.425 3.561 1.00 10.00 C ATOM 313 CG GLU A 22 -4.599 -6.398 2.254 1.00 10.00 C ATOM 314 CD GLU A 22 -5.731 -7.406 2.361 1.00 10.00 C ATOM 315 OE1 GLU A 22 -6.564 -7.221 3.273 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.673 -8.405 1.617 1.00 10.00 O ATOM 0 H GLU A 22 -2.063 -6.418 1.824 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.951 -4.441 3.425 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.446 -7.439 3.732 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.480 -6.183 4.384 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.996 -5.399 2.071 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.951 -6.643 1.413 1.00 10.00 H new ATOM 323 N LYS A 23 -1.234 -6.630 5.249 1.00 10.00 N ATOM 324 CA LYS A 23 -0.574 -6.837 6.526 1.00 10.00 C ATOM 325 C LYS A 23 0.592 -5.859 6.679 1.00 10.00 C ATOM 326 O LYS A 23 0.745 -5.224 7.723 1.00 10.00 O ATOM 327 CB LYS A 23 -0.146 -8.309 6.666 1.00 10.00 C ATOM 328 CG LYS A 23 -1.105 -9.098 7.575 1.00 10.00 C ATOM 329 CD LYS A 23 -2.573 -9.131 7.106 1.00 10.00 C ATOM 330 CE LYS A 23 -2.796 -10.073 5.911 1.00 10.00 C ATOM 331 NZ LYS A 23 -4.171 -9.984 5.365 1.00 10.00 N ATOM 0 H LYS A 23 -1.081 -7.385 4.580 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.268 -6.631 7.341 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.114 -8.774 5.681 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.864 -8.357 7.074 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.743 -10.123 7.656 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.069 -8.667 8.576 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.207 -9.446 7.935 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -2.885 -8.123 6.831 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.080 -9.832 5.125 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.597 -11.099 6.220 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.269 -10.638 4.562 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.856 -10.239 6.105 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.355 -9.012 5.044 1.00 10.00 H new ATOM 345 N ARG A 24 1.417 -5.720 5.640 1.00 10.00 N ATOM 346 CA ARG A 24 2.557 -4.818 5.689 1.00 10.00 C ATOM 347 C ARG A 24 2.123 -3.363 5.885 1.00 10.00 C ATOM 348 O ARG A 24 2.823 -2.607 6.543 1.00 10.00 O ATOM 349 CB ARG A 24 3.458 -5.016 4.460 1.00 10.00 C ATOM 350 CG ARG A 24 4.915 -5.344 4.827 1.00 10.00 C ATOM 351 CD ARG A 24 5.129 -6.744 5.425 1.00 10.00 C ATOM 352 NE ARG A 24 5.001 -6.769 6.894 1.00 10.00 N ATOM 353 CZ ARG A 24 5.406 -7.773 7.690 1.00 10.00 C ATOM 354 NH1 ARG A 24 5.935 -8.878 7.153 1.00 10.00 N ATOM 355 NH2 ARG A 24 5.289 -7.661 9.018 1.00 10.00 N ATOM 0 H ARG A 24 1.313 -6.222 4.758 1.00 10.00 H new ATOM 0 HA ARG A 24 3.155 -5.068 6.566 1.00 10.00 H new ATOM 0 HB2 ARG A 24 3.054 -5.821 3.847 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.437 -4.111 3.852 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.531 -5.248 3.933 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.271 -4.601 5.540 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.404 -7.433 4.991 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.119 -7.105 5.146 1.00 10.00 H new ATOM 0 HE ARG A 24 4.571 -5.960 7.341 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.031 -8.958 6.141 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.243 -9.641 7.756 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.893 -6.814 9.425 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.596 -8.423 9.623 1.00 10.00 H new ATOM 369 N LEU A 25 0.977 -2.979 5.332 1.00 10.00 N ATOM 370 CA LEU A 25 0.381 -1.663 5.456 1.00 10.00 C ATOM 371 C LEU A 25 -0.416 -1.531 6.753 1.00 10.00 C ATOM 372 O LEU A 25 -0.388 -0.480 7.382 1.00 10.00 O ATOM 373 CB LEU A 25 -0.464 -1.377 4.205 1.00 10.00 C ATOM 374 CG LEU A 25 0.206 -0.273 3.383 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.156 -0.375 1.900 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.247 1.067 3.972 1.00 10.00 C ATOM 0 H LEU A 25 0.416 -3.610 4.759 1.00 10.00 H new ATOM 0 HA LEU A 25 1.166 -0.909 5.516 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.565 -2.282 3.606 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.470 -1.072 4.494 1.00 10.00 H new ATOM 0 HG LEU A 25 1.290 -0.370 3.437 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.338 0.425 1.349 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.171 -1.339 1.511 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.236 -0.284 1.782 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.210 1.883 3.413 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.332 1.145 3.907 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.059 1.127 5.017 1.00 10.00 H new ATOM 388 N ASN A 26 -1.067 -2.603 7.206 1.00 10.00 N ATOM 389 CA ASN A 26 -1.735 -2.642 8.502 1.00 10.00 C ATOM 390 C ASN A 26 -0.728 -2.360 9.614 1.00 10.00 C ATOM 391 O ASN A 26 -1.112 -1.897 10.682 1.00 10.00 O ATOM 392 CB ASN A 26 -2.419 -3.999 8.706 1.00 10.00 C ATOM 393 CG ASN A 26 -2.933 -4.205 10.128 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.071 -3.879 10.439 1.00 10.00 O ATOM 395 ND2 ASN A 26 -2.112 -4.795 10.994 1.00 10.00 N ATOM 0 H ASN A 26 -1.145 -3.473 6.679 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.504 -1.870 8.533 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.252 -4.087 8.009 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.714 -4.794 8.462 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -2.426 -4.987 11.945 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -1.169 -5.055 10.706 1.00 10.00 H new ATOM 402 N LYS A 27 0.561 -2.626 9.365 1.00 10.00 N ATOM 403 CA LYS A 27 1.601 -2.220 10.298 1.00 10.00 C ATOM 404 C LYS A 27 1.489 -0.725 10.646 1.00 10.00 C ATOM 405 O LYS A 27 1.775 -0.346 11.778 1.00 10.00 O ATOM 406 CB LYS A 27 3.004 -2.621 9.784 1.00 10.00 C ATOM 407 CG LYS A 27 3.830 -1.436 9.248 1.00 10.00 C ATOM 408 CD LYS A 27 5.334 -1.685 9.082 1.00 10.00 C ATOM 409 CE LYS A 27 5.663 -2.321 7.733 1.00 10.00 C ATOM 410 NZ LYS A 27 7.098 -2.169 7.398 1.00 10.00 N ATOM 0 H LYS A 27 0.898 -3.114 8.535 1.00 10.00 H new ATOM 0 HA LYS A 27 1.452 -2.761 11.232 1.00 10.00 H new ATOM 0 HB2 LYS A 27 3.555 -3.099 10.594 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.893 -3.362 8.993 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.422 -1.142 8.281 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.694 -0.590 9.922 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.871 -0.741 9.178 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.685 -2.334 9.884 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.403 -3.379 7.755 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.055 -1.860 6.954 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.288 -2.612 6.476 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.339 -1.158 7.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.676 -2.630 8.129 1.00 10.00 H new ATOM 424 N ILE A 28 1.181 0.126 9.657 1.00 10.00 N ATOM 425 CA ILE A 28 1.124 1.567 9.836 1.00 10.00 C ATOM 426 C ILE A 28 0.147 1.906 10.960 1.00 10.00 C ATOM 427 O ILE A 28 -1.003 1.478 10.934 1.00 10.00 O ATOM 428 CB ILE A 28 0.723 2.250 8.512 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.714 1.995 7.360 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.522 3.753 8.733 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.182 2.135 7.750 1.00 10.00 C ATOM 0 H ILE A 28 0.965 -0.177 8.708 1.00 10.00 H new ATOM 0 HA ILE A 28 2.109 1.941 10.117 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.218 1.796 8.201 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.548 0.991 6.970 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.498 2.691 6.550 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.239 4.225 7.792 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.267 3.910 9.469 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.450 4.195 9.096 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.810 1.939 6.881 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.368 3.147 8.111 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.419 1.420 8.537 1.00 10.00 H new ATOM 443 N GLU A 29 0.598 2.690 11.941 1.00 10.00 N ATOM 444 CA GLU A 29 -0.232 3.007 13.088 1.00 10.00 C ATOM 445 C GLU A 29 -1.376 3.943 12.688 1.00 10.00 C ATOM 446 O GLU A 29 -2.535 3.661 12.985 1.00 10.00 O ATOM 447 CB GLU A 29 0.637 3.539 14.232 1.00 10.00 C ATOM 448 CG GLU A 29 1.548 2.432 14.782 1.00 10.00 C ATOM 449 CD GLU A 29 2.221 2.864 16.077 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.497 2.928 17.093 1.00 10.00 O ATOM 451 OE2 GLU A 29 3.443 3.122 16.026 1.00 10.00 O ATOM 0 H GLU A 29 1.527 3.111 11.958 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.712 2.102 13.461 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.243 4.373 13.877 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.001 3.923 15.030 1.00 10.00 H new ATOM 0 HG2 GLU A 29 0.962 1.529 14.957 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.307 2.181 14.041 1.00 10.00 H new ATOM 458 N GLY A 30 -1.100 5.035 11.963 1.00 10.00 N ATOM 459 CA GLY A 30 -2.134 5.993 11.604 1.00 10.00 C ATOM 460 C GLY A 30 -2.884 5.563 10.350 1.00 10.00 C ATOM 461 O GLY A 30 -3.129 6.386 9.470 1.00 10.00 O ATOM 0 H GLY A 30 -0.169 5.270 11.618 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.836 6.098 12.431 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.683 6.972 11.442 1.00 10.00 H new ATOM 465 N VAL A 31 -3.233 4.280 10.250 1.00 10.00 N ATOM 466 CA VAL A 31 -3.912 3.706 9.107 1.00 10.00 C ATOM 467 C VAL A 31 -5.400 3.598 9.429 1.00 10.00 C ATOM 468 O VAL A 31 -5.777 3.419 10.586 1.00 10.00 O ATOM 469 CB VAL A 31 -3.250 2.359 8.780 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.755 1.197 9.639 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.367 2.022 7.298 1.00 10.00 C ATOM 0 H VAL A 31 -3.042 3.600 10.986 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.827 4.329 8.217 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.197 2.489 9.029 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.241 0.280 9.349 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.556 1.408 10.690 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.828 1.074 9.490 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.888 1.063 7.104 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.419 1.965 7.020 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.878 2.798 6.709 1.00 10.00 H new ATOM 481 N ALA A 32 -6.242 3.726 8.407 1.00 10.00 N ATOM 482 CA ALA A 32 -7.684 3.555 8.511 1.00 10.00 C ATOM 483 C ALA A 32 -8.076 2.289 7.765 1.00 10.00 C ATOM 484 O ALA A 32 -8.676 1.390 8.344 1.00 10.00 O ATOM 485 CB ALA A 32 -8.413 4.778 7.943 1.00 10.00 C ATOM 0 H ALA A 32 -5.931 3.957 7.463 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.973 3.462 9.558 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.490 4.632 8.029 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.121 5.667 8.502 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.147 4.905 6.894 1.00 10.00 H new ATOM 491 N ASN A 33 -7.739 2.228 6.472 1.00 10.00 N ATOM 492 CA ASN A 33 -8.127 1.129 5.600 1.00 10.00 C ATOM 493 C ASN A 33 -6.978 0.855 4.634 1.00 10.00 C ATOM 494 O ASN A 33 -6.217 1.766 4.314 1.00 10.00 O ATOM 495 CB ASN A 33 -9.413 1.482 4.829 1.00 10.00 C ATOM 496 CG ASN A 33 -10.605 1.783 5.733 1.00 10.00 C ATOM 497 OD1 ASN A 33 -11.114 0.886 6.396 1.00 10.00 O ATOM 498 ND2 ASN A 33 -11.091 3.020 5.758 1.00 10.00 N ATOM 0 H ASN A 33 -7.186 2.947 6.005 1.00 10.00 H new ATOM 0 HA ASN A 33 -8.332 0.237 6.192 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.221 2.348 4.195 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.669 0.654 4.168 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.902 3.238 6.336 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.652 3.752 5.199 1.00 10.00 H new ATOM 505 N ALA A 34 -6.853 -0.385 4.154 1.00 10.00 N ATOM 506 CA ALA A 34 -5.893 -0.758 3.116 1.00 10.00 C ATOM 507 C ALA A 34 -6.522 -1.729 2.105 1.00 10.00 C ATOM 508 O ALA A 34 -6.057 -2.861 1.977 1.00 10.00 O ATOM 509 CB ALA A 34 -4.636 -1.338 3.774 1.00 10.00 C ATOM 0 H ALA A 34 -7.423 -1.166 4.480 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.604 0.129 2.551 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.918 -1.617 3.003 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.191 -0.590 4.431 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.904 -2.219 4.357 1.00 10.00 H new ATOM 515 N PRO A 35 -7.582 -1.325 1.384 1.00 10.00 N ATOM 516 CA PRO A 35 -8.296 -2.199 0.468 1.00 10.00 C ATOM 517 C PRO A 35 -7.514 -2.337 -0.842 1.00 10.00 C ATOM 518 O PRO A 35 -7.944 -1.850 -1.886 1.00 10.00 O ATOM 519 CB PRO A 35 -9.657 -1.520 0.274 1.00 10.00 C ATOM 520 CG PRO A 35 -9.302 -0.035 0.357 1.00 10.00 C ATOM 521 CD PRO A 35 -8.220 -0.018 1.436 1.00 10.00 C ATOM 0 HA PRO A 35 -8.418 -3.215 0.842 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -10.105 -1.777 -0.686 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -10.369 -1.811 1.046 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.933 0.349 -0.594 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.162 0.574 0.634 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.497 0.777 1.251 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.652 0.166 2.419 1.00 10.00 H new ATOM 529 N VAL A 36 -6.349 -2.986 -0.795 1.00 10.00 N ATOM 530 CA VAL A 36 -5.527 -3.187 -1.975 1.00 10.00 C ATOM 531 C VAL A 36 -6.242 -4.082 -2.981 1.00 10.00 C ATOM 532 O VAL A 36 -7.070 -4.910 -2.602 1.00 10.00 O ATOM 533 CB VAL A 36 -4.176 -3.786 -1.571 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.580 -3.012 -0.392 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.284 -5.271 -1.211 1.00 10.00 C ATOM 0 H VAL A 36 -5.957 -3.382 0.059 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.351 -2.223 -2.453 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.519 -3.701 -2.436 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.620 -3.450 -0.117 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.435 -1.970 -0.677 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -4.260 -3.064 0.458 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.301 -5.650 -0.932 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.971 -5.393 -0.374 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.657 -5.828 -2.071 1.00 10.00 H new ATOM 545 N ASN A 37 -5.889 -3.956 -4.262 1.00 10.00 N ATOM 546 CA ASN A 37 -6.457 -4.834 -5.274 1.00 10.00 C ATOM 547 C ASN A 37 -5.519 -6.018 -5.468 1.00 10.00 C ATOM 548 O ASN A 37 -4.316 -5.872 -5.299 1.00 10.00 O ATOM 549 CB ASN A 37 -6.672 -4.057 -6.568 1.00 10.00 C ATOM 550 CG ASN A 37 -7.654 -2.907 -6.363 1.00 10.00 C ATOM 551 OD1 ASN A 37 -7.223 -1.678 -6.613 1.00 10.00 O flip ATOM 552 ND2 ASN A 37 -8.802 -3.126 -5.992 1.00 10.00 N flip ATOM 0 H ASN A 37 -5.225 -3.267 -4.614 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.430 -5.211 -4.958 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.719 -3.666 -6.923 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.049 -4.728 -7.340 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -9.105 -4.082 -5.807 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.454 -2.352 -5.868 1.00 10.00 H new ATOM 559 N PHE A 38 -6.047 -7.194 -5.813 1.00 10.00 N ATOM 560 CA PHE A 38 -5.276 -8.435 -5.899 1.00 10.00 C ATOM 561 C PHE A 38 -5.464 -9.085 -7.271 1.00 10.00 C ATOM 562 O PHE A 38 -5.704 -10.285 -7.380 1.00 10.00 O ATOM 563 CB PHE A 38 -5.636 -9.345 -4.713 1.00 10.00 C ATOM 564 CG PHE A 38 -7.098 -9.338 -4.314 1.00 10.00 C ATOM 565 CD1 PHE A 38 -8.010 -10.209 -4.937 1.00 10.00 C ATOM 566 CD2 PHE A 38 -7.550 -8.429 -3.338 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.368 -10.183 -4.571 1.00 10.00 C ATOM 568 CE2 PHE A 38 -8.909 -8.392 -2.985 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.817 -9.275 -3.595 1.00 10.00 C ATOM 0 H PHE A 38 -7.034 -7.312 -6.043 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.208 -8.231 -5.818 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.348 -10.367 -4.960 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.039 -9.045 -3.851 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.668 -10.897 -5.696 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -6.850 -7.759 -2.860 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -10.066 -10.861 -5.040 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.256 -7.686 -2.245 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.860 -9.256 -3.314 1.00 10.00 H new ATOM 579 N ALA A 39 -5.322 -8.265 -8.316 1.00 10.00 N ATOM 580 CA ALA A 39 -5.420 -8.644 -9.722 1.00 10.00 C ATOM 581 C ALA A 39 -5.054 -7.448 -10.603 1.00 10.00 C ATOM 582 O ALA A 39 -4.350 -7.583 -11.597 1.00 10.00 O ATOM 583 CB ALA A 39 -6.848 -9.093 -10.050 1.00 10.00 C ATOM 0 H ALA A 39 -5.126 -7.271 -8.195 1.00 10.00 H new ATOM 0 HA ALA A 39 -4.732 -9.467 -9.913 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -6.909 -9.373 -11.102 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.111 -9.950 -9.430 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.541 -8.275 -9.852 1.00 10.00 H new ATOM 589 N LEU A 40 -5.565 -6.274 -10.225 1.00 10.00 N ATOM 590 CA LEU A 40 -5.534 -5.058 -11.025 1.00 10.00 C ATOM 591 C LEU A 40 -4.149 -4.399 -11.014 1.00 10.00 C ATOM 592 O LEU A 40 -3.867 -3.551 -11.855 1.00 10.00 O ATOM 593 CB LEU A 40 -6.587 -4.078 -10.486 1.00 10.00 C ATOM 594 CG LEU A 40 -7.963 -4.694 -10.168 1.00 10.00 C ATOM 595 CD1 LEU A 40 -8.934 -3.568 -9.807 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.520 -5.531 -11.322 1.00 10.00 C ATOM 0 H LEU A 40 -6.025 -6.145 -9.324 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.757 -5.323 -12.059 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.197 -3.615 -9.580 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.725 -3.281 -11.217 1.00 10.00 H new ATOM 0 HG LEU A 40 -7.841 -5.377 -9.328 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.913 -3.991 -9.579 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.560 -3.030 -8.936 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.022 -2.880 -10.648 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.491 -5.939 -11.040 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.633 -4.903 -12.206 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -7.833 -6.348 -11.543 1.00 10.00 H new ATOM 608 N GLU A 41 -3.321 -4.765 -10.029 1.00 10.00 N ATOM 609 CA GLU A 41 -2.004 -4.193 -9.765 1.00 10.00 C ATOM 610 C GLU A 41 -2.136 -2.717 -9.401 1.00 10.00 C ATOM 611 O GLU A 41 -1.490 -1.846 -9.977 1.00 10.00 O ATOM 612 CB GLU A 41 -0.992 -4.452 -10.891 1.00 10.00 C ATOM 613 CG GLU A 41 -0.502 -5.906 -10.919 1.00 10.00 C ATOM 614 CD GLU A 41 0.984 -5.975 -11.257 1.00 10.00 C ATOM 615 OE1 GLU A 41 1.790 -5.918 -10.298 1.00 10.00 O ATOM 616 OE2 GLU A 41 1.299 -6.110 -12.455 1.00 10.00 O ATOM 0 H GLU A 41 -3.566 -5.501 -9.367 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.583 -4.712 -8.904 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.450 -4.208 -11.850 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.138 -3.787 -10.767 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.680 -6.372 -9.950 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -1.073 -6.472 -11.655 1.00 10.00 H new ATOM 623 N THR A 42 -2.962 -2.460 -8.389 1.00 10.00 N ATOM 624 CA THR A 42 -3.125 -1.165 -7.764 1.00 10.00 C ATOM 625 C THR A 42 -3.310 -1.399 -6.263 1.00 10.00 C ATOM 626 O THR A 42 -4.100 -2.253 -5.854 1.00 10.00 O ATOM 627 CB THR A 42 -4.317 -0.437 -8.399 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.392 -1.334 -8.601 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.943 0.183 -9.750 1.00 10.00 C ATOM 0 H THR A 42 -3.554 -3.179 -7.973 1.00 10.00 H new ATOM 0 HA THR A 42 -2.253 -0.528 -7.914 1.00 10.00 H new ATOM 0 HB THR A 42 -4.611 0.356 -7.712 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.914 -1.411 -7.775 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.811 0.690 -10.170 1.00 10.00 H new ATOM 0 HG22 THR A 42 -3.136 0.902 -9.609 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.616 -0.602 -10.432 1.00 10.00 H new ATOM 637 N VAL A 43 -2.555 -0.672 -5.442 1.00 10.00 N ATOM 638 CA VAL A 43 -2.714 -0.670 -3.994 1.00 10.00 C ATOM 639 C VAL A 43 -3.387 0.646 -3.628 1.00 10.00 C ATOM 640 O VAL A 43 -3.136 1.676 -4.254 1.00 10.00 O ATOM 641 CB VAL A 43 -1.347 -0.833 -3.317 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.289 -0.378 -1.851 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.840 -2.274 -3.440 1.00 10.00 C ATOM 0 H VAL A 43 -1.807 -0.061 -5.770 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.328 -1.502 -3.650 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.689 -0.156 -3.862 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.283 -0.533 -1.461 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.544 0.680 -1.788 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.999 -0.958 -1.262 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.131 -2.361 -2.952 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.549 -2.951 -2.963 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.741 -2.536 -4.493 1.00 10.00 H new ATOM 653 N THR A 44 -4.232 0.588 -2.602 1.00 10.00 N ATOM 654 CA THR A 44 -5.130 1.645 -2.214 1.00 10.00 C ATOM 655 C THR A 44 -5.111 1.683 -0.691 1.00 10.00 C ATOM 656 O THR A 44 -5.356 0.651 -0.065 1.00 10.00 O ATOM 657 CB THR A 44 -6.511 1.268 -2.762 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.431 1.079 -4.161 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.516 2.367 -2.462 1.00 10.00 C ATOM 0 H THR A 44 -4.304 -0.234 -2.002 1.00 10.00 H new ATOM 0 HA THR A 44 -4.857 2.628 -2.598 1.00 10.00 H new ATOM 0 HB THR A 44 -6.838 0.345 -2.282 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.314 0.836 -4.509 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.492 2.085 -2.857 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.588 2.509 -1.384 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.190 3.296 -2.930 1.00 10.00 H new ATOM 667 N VAL A 45 -4.785 2.834 -0.097 1.00 10.00 N ATOM 668 CA VAL A 45 -4.740 3.013 1.346 1.00 10.00 C ATOM 669 C VAL A 45 -5.586 4.224 1.730 1.00 10.00 C ATOM 670 O VAL A 45 -5.695 5.182 0.965 1.00 10.00 O ATOM 671 CB VAL A 45 -3.284 3.178 1.815 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.167 3.186 3.344 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.407 2.038 1.290 1.00 10.00 C ATOM 0 H VAL A 45 -4.542 3.677 -0.618 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.149 2.132 1.840 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.947 4.136 1.420 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -2.121 3.305 3.628 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.749 4.014 3.749 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.547 2.245 3.743 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.383 2.178 1.636 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.788 1.086 1.660 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.425 2.037 0.200 1.00 10.00 H new ATOM 683 N GLU A 46 -6.165 4.175 2.929 1.00 10.00 N ATOM 684 CA GLU A 46 -6.640 5.330 3.656 1.00 10.00 C ATOM 685 C GLU A 46 -5.786 5.409 4.920 1.00 10.00 C ATOM 686 O GLU A 46 -5.876 4.512 5.764 1.00 10.00 O ATOM 687 CB GLU A 46 -8.127 5.165 3.971 1.00 10.00 C ATOM 688 CG GLU A 46 -8.702 6.418 4.637 1.00 10.00 C ATOM 689 CD GLU A 46 -10.219 6.421 4.589 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.785 5.317 4.456 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.779 7.538 4.654 1.00 10.00 O ATOM 0 H GLU A 46 -6.317 3.299 3.428 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.549 6.253 3.084 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.674 4.957 3.051 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.268 4.306 4.627 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.369 6.467 5.674 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.318 7.307 4.137 1.00 10.00 H new ATOM 698 N TYR A 47 -4.935 6.433 5.036 1.00 10.00 N ATOM 699 CA TYR A 47 -4.065 6.627 6.190 1.00 10.00 C ATOM 700 C TYR A 47 -3.885 8.114 6.447 1.00 10.00 C ATOM 701 O TYR A 47 -4.171 8.935 5.581 1.00 10.00 O ATOM 702 CB TYR A 47 -2.706 5.930 6.014 1.00 10.00 C ATOM 703 CG TYR A 47 -1.678 6.675 5.175 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.730 6.680 3.766 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.698 7.442 5.830 1.00 10.00 C ATOM 706 CE1 TYR A 47 -0.853 7.502 3.036 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.099 8.340 5.105 1.00 10.00 C ATOM 708 CZ TYR A 47 0.009 8.382 3.707 1.00 10.00 C ATOM 709 OH TYR A 47 0.750 9.285 3.008 1.00 10.00 O ATOM 0 H TYR A 47 -4.833 7.155 4.323 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.542 6.167 7.055 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.280 5.753 7.002 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.877 4.954 5.561 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.442 6.054 3.248 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.558 7.339 6.896 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -0.843 7.456 1.957 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.781 8.998 5.623 1.00 10.00 H new ATOM 0 HH TYR A 47 1.291 9.816 3.630 1.00 10.00 H new ATOM 719 N ASN A 48 -3.424 8.465 7.643 1.00 10.00 N ATOM 720 CA ASN A 48 -3.193 9.852 8.016 1.00 10.00 C ATOM 721 C ASN A 48 -1.744 10.247 7.716 1.00 10.00 C ATOM 722 O ASN A 48 -0.819 9.538 8.110 1.00 10.00 O ATOM 723 CB ASN A 48 -3.629 10.135 9.464 1.00 10.00 C ATOM 724 CG ASN A 48 -2.825 9.474 10.587 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.601 9.419 10.585 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.517 9.026 11.630 1.00 10.00 N ATOM 0 H ASN A 48 -3.201 7.795 8.379 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.825 10.494 7.403 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.600 11.213 9.619 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.669 9.826 9.568 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.029 8.633 12.435 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.536 9.075 11.625 1.00 10.00 H new ATOM 733 N PRO A 49 -1.495 11.375 7.036 1.00 10.00 N ATOM 734 CA PRO A 49 -0.150 11.903 6.908 1.00 10.00 C ATOM 735 C PRO A 49 0.237 12.573 8.231 1.00 10.00 C ATOM 736 O PRO A 49 0.468 13.780 8.270 1.00 10.00 O ATOM 737 CB PRO A 49 -0.230 12.881 5.731 1.00 10.00 C ATOM 738 CG PRO A 49 -1.653 13.428 5.837 1.00 10.00 C ATOM 739 CD PRO A 49 -2.454 12.228 6.347 1.00 10.00 C ATOM 0 HA PRO A 49 0.617 11.153 6.715 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.514 13.673 5.813 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.060 12.381 4.778 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.710 14.271 6.525 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.022 13.778 4.873 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.249 12.547 7.021 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.929 11.696 5.523 1.00 10.00 H new ATOM 747 N LYS A 50 0.278 11.804 9.329 1.00 10.00 N ATOM 748 CA LYS A 50 0.680 12.333 10.627 1.00 10.00 C ATOM 749 C LYS A 50 1.507 11.292 11.382 1.00 10.00 C ATOM 750 O LYS A 50 2.536 11.640 11.955 1.00 10.00 O ATOM 751 CB LYS A 50 -0.526 12.951 11.378 1.00 10.00 C ATOM 752 CG LYS A 50 -1.158 12.155 12.526 1.00 10.00 C ATOM 753 CD LYS A 50 -0.376 12.211 13.850 1.00 10.00 C ATOM 754 CE LYS A 50 -0.765 10.979 14.677 1.00 10.00 C ATOM 755 NZ LYS A 50 0.122 10.728 15.828 1.00 10.00 N ATOM 0 H LYS A 50 0.036 10.813 9.337 1.00 10.00 H new ATOM 0 HA LYS A 50 1.355 13.181 10.511 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.210 13.915 11.777 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.307 13.151 10.644 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.167 12.530 12.699 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.253 11.113 12.219 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.697 12.220 13.660 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.611 13.126 14.394 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -1.786 11.103 15.038 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -0.760 10.102 14.029 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -0.161 9.844 16.298 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 1.105 10.645 15.497 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 0.049 11.517 16.501 1.00 10.00 H new ATOM 769 N GLU A 51 1.079 10.025 11.372 1.00 10.00 N ATOM 770 CA GLU A 51 1.821 8.944 12.004 1.00 10.00 C ATOM 771 C GLU A 51 2.860 8.357 11.039 1.00 10.00 C ATOM 772 O GLU A 51 3.984 8.066 11.437 1.00 10.00 O ATOM 773 CB GLU A 51 0.821 7.880 12.490 1.00 10.00 C ATOM 774 CG GLU A 51 1.219 7.224 13.820 1.00 10.00 C ATOM 775 CD GLU A 51 1.060 8.167 15.001 1.00 10.00 C ATOM 776 OE1 GLU A 51 1.932 9.040 15.207 1.00 10.00 O ATOM 777 OE2 GLU A 51 -0.026 8.167 15.624 1.00 10.00 O ATOM 0 H GLU A 51 0.211 9.727 10.926 1.00 10.00 H new ATOM 0 HA GLU A 51 2.375 9.324 12.862 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.161 8.340 12.601 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.726 7.107 11.727 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.607 6.337 13.982 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.255 6.890 13.762 1.00 10.00 H new ATOM 784 N ALA A 52 2.481 8.174 9.769 1.00 10.00 N ATOM 785 CA ALA A 52 3.323 7.583 8.730 1.00 10.00 C ATOM 786 C ALA A 52 3.263 8.435 7.463 1.00 10.00 C ATOM 787 O ALA A 52 2.601 9.472 7.439 1.00 10.00 O ATOM 788 CB ALA A 52 2.859 6.156 8.466 1.00 10.00 C ATOM 0 H ALA A 52 1.557 8.440 9.430 1.00 10.00 H new ATOM 0 HA ALA A 52 4.362 7.555 9.060 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.482 5.708 7.692 1.00 10.00 H new ATOM 0 HB2 ALA A 52 2.942 5.571 9.382 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.821 6.166 8.135 1.00 10.00 H new ATOM 794 N SER A 53 3.953 8.001 6.404 1.00 10.00 N ATOM 795 CA SER A 53 3.946 8.667 5.114 1.00 10.00 C ATOM 796 C SER A 53 4.063 7.627 4.000 1.00 10.00 C ATOM 797 O SER A 53 4.417 6.474 4.251 1.00 10.00 O ATOM 798 CB SER A 53 5.097 9.678 5.056 1.00 10.00 C ATOM 799 OG SER A 53 6.338 9.016 5.217 1.00 10.00 O ATOM 0 H SER A 53 4.537 7.165 6.427 1.00 10.00 H new ATOM 0 HA SER A 53 3.009 9.207 4.977 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.079 10.206 4.103 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.972 10.427 5.838 1.00 10.00 H new ATOM 0 HG SER A 53 7.066 9.671 5.177 1.00 10.00 H new ATOM 805 N VAL A 54 3.810 8.064 2.764 1.00 10.00 N ATOM 806 CA VAL A 54 4.006 7.284 1.549 1.00 10.00 C ATOM 807 C VAL A 54 5.329 6.521 1.595 1.00 10.00 C ATOM 808 O VAL A 54 5.360 5.325 1.320 1.00 10.00 O ATOM 809 CB VAL A 54 3.933 8.224 0.333 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.340 7.514 -0.967 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.517 8.802 0.219 1.00 10.00 C ATOM 0 H VAL A 54 3.452 9.001 2.580 1.00 10.00 H new ATOM 0 HA VAL A 54 3.217 6.537 1.464 1.00 10.00 H new ATOM 0 HB VAL A 54 4.645 9.035 0.485 1.00 10.00 H new ATOM 0 HG11 VAL A 54 4.274 8.214 -1.800 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.364 7.151 -0.878 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.671 6.672 -1.147 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.464 9.468 -0.642 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.801 7.989 0.094 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.278 9.360 1.124 1.00 10.00 H new ATOM 821 N SER A 55 6.421 7.208 1.936 1.00 10.00 N ATOM 822 CA SER A 55 7.744 6.618 2.021 1.00 10.00 C ATOM 823 C SER A 55 7.765 5.340 2.865 1.00 10.00 C ATOM 824 O SER A 55 8.404 4.366 2.453 1.00 10.00 O ATOM 825 CB SER A 55 8.715 7.667 2.566 1.00 10.00 C ATOM 826 OG SER A 55 8.672 8.791 1.707 1.00 10.00 O ATOM 0 H SER A 55 6.403 8.202 2.162 1.00 10.00 H new ATOM 0 HA SER A 55 8.054 6.314 1.021 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.438 7.952 3.581 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.726 7.262 2.614 1.00 10.00 H new ATOM 0 HG SER A 55 9.286 9.479 2.038 1.00 10.00 H new ATOM 832 N ASP A 56 7.081 5.350 4.015 1.00 10.00 N ATOM 833 CA ASP A 56 7.049 4.231 4.950 1.00 10.00 C ATOM 834 C ASP A 56 6.343 3.052 4.291 1.00 10.00 C ATOM 835 O ASP A 56 6.938 2.000 4.068 1.00 10.00 O ATOM 836 CB ASP A 56 6.341 4.663 6.244 1.00 10.00 C ATOM 837 CG ASP A 56 6.337 3.588 7.330 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.433 2.388 6.989 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.205 3.997 8.500 1.00 10.00 O ATOM 0 H ASP A 56 6.528 6.150 4.322 1.00 10.00 H new ATOM 0 HA ASP A 56 8.062 3.923 5.210 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.827 5.558 6.633 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.312 4.935 6.011 1.00 10.00 H new ATOM 844 N LEU A 57 5.078 3.238 3.909 1.00 10.00 N ATOM 845 CA LEU A 57 4.315 2.132 3.352 1.00 10.00 C ATOM 846 C LEU A 57 4.971 1.622 2.056 1.00 10.00 C ATOM 847 O LEU A 57 5.143 0.416 1.882 1.00 10.00 O ATOM 848 CB LEU A 57 2.824 2.484 3.276 1.00 10.00 C ATOM 849 CG LEU A 57 2.487 3.582 2.261 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.238 2.952 0.887 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.291 4.450 2.682 1.00 10.00 C ATOM 0 H LEU A 57 4.575 4.123 3.974 1.00 10.00 H new ATOM 0 HA LEU A 57 4.343 1.269 4.018 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.263 1.585 3.021 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.487 2.801 4.263 1.00 10.00 H new ATOM 0 HG LEU A 57 3.346 4.252 2.214 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.998 3.734 0.166 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.133 2.421 0.563 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.405 2.252 0.953 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.105 5.207 1.920 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.407 3.822 2.793 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.511 4.937 3.632 1.00 10.00 H new ATOM 863 N LYS A 58 5.424 2.524 1.177 1.00 10.00 N ATOM 864 CA LYS A 58 6.350 2.205 0.109 1.00 10.00 C ATOM 865 C LYS A 58 7.492 1.311 0.585 1.00 10.00 C ATOM 866 O LYS A 58 7.712 0.285 -0.041 1.00 10.00 O ATOM 867 CB LYS A 58 6.816 3.518 -0.530 1.00 10.00 C ATOM 868 CG LYS A 58 7.593 3.407 -1.836 1.00 10.00 C ATOM 869 CD LYS A 58 9.069 2.997 -1.769 1.00 10.00 C ATOM 870 CE LYS A 58 9.986 3.919 -0.941 1.00 10.00 C ATOM 871 NZ LYS A 58 10.074 3.552 0.489 1.00 10.00 N ATOM 0 H LYS A 58 5.148 3.506 1.197 1.00 10.00 H new ATOM 0 HA LYS A 58 5.850 1.611 -0.656 1.00 10.00 H new ATOM 0 HB2 LYS A 58 5.939 4.140 -0.708 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.439 4.045 0.192 1.00 10.00 H new ATOM 0 HG2 LYS A 58 7.076 2.687 -2.471 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.538 4.372 -2.339 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.128 1.991 -1.355 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.459 2.947 -2.786 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.987 3.902 -1.372 1.00 10.00 H new ATOM 0 HE3 LYS A 58 9.622 4.943 -1.021 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.841 4.091 0.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.173 3.773 0.960 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.269 2.534 0.575 1.00 10.00 H new ATOM 885 N GLU A 59 8.227 1.672 1.646 1.00 10.00 N ATOM 886 CA GLU A 59 9.309 0.854 2.177 1.00 10.00 C ATOM 887 C GLU A 59 8.804 -0.544 2.507 1.00 10.00 C ATOM 888 O GLU A 59 9.392 -1.525 2.065 1.00 10.00 O ATOM 889 CB GLU A 59 9.912 1.550 3.404 1.00 10.00 C ATOM 890 CG GLU A 59 11.307 1.022 3.744 1.00 10.00 C ATOM 891 CD GLU A 59 11.306 0.028 4.907 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.654 -1.031 4.773 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.957 0.344 5.924 1.00 10.00 O ATOM 0 H GLU A 59 8.082 2.543 2.156 1.00 10.00 H new ATOM 0 HA GLU A 59 10.092 0.742 1.427 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.967 2.623 3.220 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.253 1.407 4.260 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.731 0.541 2.863 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.956 1.862 3.992 1.00 10.00 H new ATOM 900 N ALA A 60 7.680 -0.623 3.223 1.00 10.00 N ATOM 901 CA ALA A 60 7.061 -1.891 3.569 1.00 10.00 C ATOM 902 C ALA A 60 6.948 -2.792 2.334 1.00 10.00 C ATOM 903 O ALA A 60 7.439 -3.921 2.341 1.00 10.00 O ATOM 904 CB ALA A 60 5.703 -1.640 4.236 1.00 10.00 C ATOM 0 H ALA A 60 7.179 0.193 3.576 1.00 10.00 H new ATOM 0 HA ALA A 60 7.689 -2.419 4.286 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.242 -2.594 4.494 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.846 -1.050 5.141 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.054 -1.098 3.548 1.00 10.00 H new ATOM 910 N VAL A 61 6.324 -2.285 1.268 1.00 10.00 N ATOM 911 CA VAL A 61 6.211 -3.007 0.007 1.00 10.00 C ATOM 912 C VAL A 61 7.582 -3.283 -0.642 1.00 10.00 C ATOM 913 O VAL A 61 7.832 -4.404 -1.081 1.00 10.00 O ATOM 914 CB VAL A 61 5.232 -2.287 -0.931 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.003 -3.135 -2.191 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.889 -2.066 -0.218 1.00 10.00 C ATOM 0 H VAL A 61 5.885 -1.364 1.259 1.00 10.00 H new ATOM 0 HA VAL A 61 5.798 -3.994 0.216 1.00 10.00 H new ATOM 0 HB VAL A 61 5.656 -1.323 -1.211 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.308 -2.621 -2.854 1.00 10.00 H new ATOM 0 HG12 VAL A 61 5.952 -3.285 -2.706 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.587 -4.102 -1.908 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.200 -1.555 -0.890 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.467 -3.029 0.070 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.046 -1.457 0.673 1.00 10.00 H new ATOM 926 N ASP A 62 8.477 -2.290 -0.676 1.00 10.00 N ATOM 927 CA ASP A 62 9.828 -2.394 -1.236 1.00 10.00 C ATOM 928 C ASP A 62 10.509 -3.631 -0.634 1.00 10.00 C ATOM 929 O ASP A 62 10.879 -4.576 -1.330 1.00 10.00 O ATOM 930 CB ASP A 62 10.613 -1.089 -0.939 1.00 10.00 C ATOM 931 CG ASP A 62 11.411 -0.552 -2.119 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.260 -1.289 -2.659 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.214 0.627 -2.507 1.00 10.00 O ATOM 0 H ASP A 62 8.274 -1.363 -0.303 1.00 10.00 H new ATOM 0 HA ASP A 62 9.796 -2.513 -2.319 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.910 -0.323 -0.613 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.294 -1.271 -0.108 1.00 10.00 H new ATOM 938 N LYS A 63 10.585 -3.641 0.699 1.00 10.00 N ATOM 939 CA LYS A 63 11.117 -4.712 1.526 1.00 10.00 C ATOM 940 C LYS A 63 10.409 -6.041 1.236 1.00 10.00 C ATOM 941 O LYS A 63 11.050 -7.089 1.227 1.00 10.00 O ATOM 942 CB LYS A 63 10.969 -4.296 3.000 1.00 10.00 C ATOM 943 CG LYS A 63 11.776 -5.140 3.997 1.00 10.00 C ATOM 944 CD LYS A 63 13.286 -4.890 3.849 1.00 10.00 C ATOM 945 CE LYS A 63 14.110 -5.527 4.978 1.00 10.00 C ATOM 946 NZ LYS A 63 13.930 -4.832 6.270 1.00 10.00 N ATOM 0 H LYS A 63 10.256 -2.853 1.257 1.00 10.00 H new ATOM 0 HA LYS A 63 12.171 -4.872 1.298 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.273 -3.254 3.100 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.915 -4.348 3.273 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.464 -4.902 5.014 1.00 10.00 H new ATOM 0 HG3 LYS A 63 11.563 -6.197 3.837 1.00 10.00 H new ATOM 0 HD2 LYS A 63 13.623 -5.287 2.891 1.00 10.00 H new ATOM 0 HD3 LYS A 63 13.472 -3.816 3.832 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.822 -6.573 5.088 1.00 10.00 H new ATOM 0 HE3 LYS A 63 15.165 -5.514 4.706 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 14.569 -5.245 6.979 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 14.148 -3.822 6.154 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 12.946 -4.939 6.588 1.00 10.00 H new ATOM 960 N LEU A 64 9.091 -6.003 1.012 1.00 10.00 N ATOM 961 CA LEU A 64 8.295 -7.156 0.609 1.00 10.00 C ATOM 962 C LEU A 64 8.826 -7.839 -0.655 1.00 10.00 C ATOM 963 O LEU A 64 8.610 -9.039 -0.814 1.00 10.00 O ATOM 964 CB LEU A 64 6.835 -6.719 0.416 1.00 10.00 C ATOM 965 CG LEU A 64 5.753 -7.687 0.899 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.002 -8.097 2.352 1.00 10.00 C ATOM 967 CD2 LEU A 64 4.424 -6.928 0.809 1.00 10.00 C ATOM 0 H LEU A 64 8.541 -5.149 1.109 1.00 10.00 H new ATOM 0 HA LEU A 64 8.363 -7.898 1.404 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.694 -5.769 0.931 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.674 -6.533 -0.646 1.00 10.00 H new ATOM 0 HG LEU A 64 5.750 -8.593 0.293 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.221 -8.785 2.675 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.973 -8.587 2.431 1.00 10.00 H new ATOM 0 HD13 LEU A 64 5.990 -7.211 2.987 1.00 10.00 H new ATOM 0 HD21 LEU A 64 3.612 -7.574 1.143 1.00 10.00 H new ATOM 0 HD22 LEU A 64 4.467 -6.042 1.443 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.246 -6.627 -0.223 1.00 10.00 H new ATOM 979 N GLY A 65 9.510 -7.104 -1.543 1.00 10.00 N ATOM 980 CA GLY A 65 10.262 -7.694 -2.646 1.00 10.00 C ATOM 981 C GLY A 65 9.987 -7.054 -4.007 1.00 10.00 C ATOM 982 O GLY A 65 10.694 -7.357 -4.965 1.00 10.00 O ATOM 0 H GLY A 65 9.554 -6.085 -1.512 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.327 -7.614 -2.428 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.027 -8.757 -2.703 1.00 10.00 H new ATOM 986 N TYR A 66 8.961 -6.207 -4.121 1.00 10.00 N ATOM 987 CA TYR A 66 8.552 -5.583 -5.375 1.00 10.00 C ATOM 988 C TYR A 66 8.220 -4.119 -5.098 1.00 10.00 C ATOM 989 O TYR A 66 8.044 -3.736 -3.944 1.00 10.00 O ATOM 990 CB TYR A 66 7.383 -6.359 -6.000 1.00 10.00 C ATOM 991 CG TYR A 66 6.324 -6.812 -5.015 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.501 -8.007 -4.289 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.179 -6.028 -4.794 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.568 -8.387 -3.312 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.208 -6.453 -3.880 1.00 10.00 C ATOM 996 CZ TYR A 66 4.407 -7.622 -3.126 1.00 10.00 C ATOM 997 OH TYR A 66 3.473 -8.014 -2.216 1.00 10.00 O ATOM 0 H TYR A 66 8.382 -5.933 -3.327 1.00 10.00 H new ATOM 0 HA TYR A 66 9.359 -5.613 -6.107 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.911 -5.732 -6.756 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.780 -7.234 -6.514 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.359 -8.633 -4.485 1.00 10.00 H new ATOM 0 HD2 TYR A 66 5.048 -5.099 -5.329 1.00 10.00 H new ATOM 0 HE1 TYR A 66 5.743 -9.264 -2.706 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.301 -5.880 -3.754 1.00 10.00 H new ATOM 0 HH TYR A 66 3.911 -8.499 -1.486 1.00 10.00 H new ATOM 1007 N LYS A 67 8.210 -3.278 -6.133 1.00 10.00 N ATOM 1008 CA LYS A 67 8.218 -1.842 -5.957 1.00 10.00 C ATOM 1009 C LYS A 67 6.807 -1.271 -5.843 1.00 10.00 C ATOM 1010 O LYS A 67 5.848 -1.833 -6.372 1.00 10.00 O ATOM 1011 CB LYS A 67 8.979 -1.216 -7.130 1.00 10.00 C ATOM 1012 CG LYS A 67 10.506 -1.294 -6.976 1.00 10.00 C ATOM 1013 CD LYS A 67 10.970 -0.562 -5.707 1.00 10.00 C ATOM 1014 CE LYS A 67 12.418 -0.069 -5.802 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.868 0.466 -4.501 1.00 10.00 N ATOM 0 H LYS A 67 8.196 -3.580 -7.107 1.00 10.00 H new ATOM 0 HA LYS A 67 8.718 -1.600 -5.019 1.00 10.00 H new ATOM 0 HB2 LYS A 67 8.688 -1.719 -8.052 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.684 -0.171 -7.229 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.818 -2.338 -6.933 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.986 -0.854 -7.850 1.00 10.00 H new ATOM 0 HD2 LYS A 67 10.313 0.288 -5.522 1.00 10.00 H new ATOM 0 HD3 LYS A 67 10.874 -1.231 -4.852 1.00 10.00 H new ATOM 0 HE2 LYS A 67 13.068 -0.888 -6.110 1.00 10.00 H new ATOM 0 HE3 LYS A 67 12.496 0.704 -6.566 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 13.678 1.102 -4.648 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.091 0.994 -4.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.153 -0.320 -3.882 1.00 10.00 H new ATOM 1029 N LEU A 68 6.713 -0.127 -5.157 1.00 10.00 N ATOM 1030 CA LEU A 68 5.505 0.648 -4.974 1.00 10.00 C ATOM 1031 C LEU A 68 5.869 2.108 -5.212 1.00 10.00 C ATOM 1032 O LEU A 68 6.986 2.513 -4.884 1.00 10.00 O ATOM 1033 CB LEU A 68 5.036 0.464 -3.523 1.00 10.00 C ATOM 1034 CG LEU A 68 3.640 1.045 -3.275 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.618 -0.010 -3.666 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.398 1.460 -1.827 1.00 10.00 C ATOM 0 H LEU A 68 7.521 0.294 -4.697 1.00 10.00 H new ATOM 0 HA LEU A 68 4.714 0.336 -5.656 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.032 -0.598 -3.279 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.749 0.943 -2.852 1.00 10.00 H new ATOM 0 HG LEU A 68 3.549 1.951 -3.874 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.613 0.378 -3.499 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.740 -0.262 -4.720 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.767 -0.904 -3.060 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.390 1.862 -1.727 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.509 0.592 -1.176 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.122 2.223 -1.541 1.00 10.00 H new ATOM 1048 N LYS A 69 4.931 2.904 -5.722 1.00 10.00 N ATOM 1049 CA LYS A 69 4.995 4.348 -5.725 1.00 10.00 C ATOM 1050 C LYS A 69 3.579 4.886 -5.645 1.00 10.00 C ATOM 1051 O LYS A 69 2.657 4.197 -6.060 1.00 10.00 O ATOM 1052 CB LYS A 69 5.655 4.837 -7.018 1.00 10.00 C ATOM 1053 CG LYS A 69 7.184 4.871 -6.954 1.00 10.00 C ATOM 1054 CD LYS A 69 7.640 5.622 -5.697 1.00 10.00 C ATOM 1055 CE LYS A 69 9.043 6.209 -5.910 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.555 6.892 -4.705 1.00 10.00 N ATOM 0 H LYS A 69 4.082 2.541 -6.156 1.00 10.00 H new ATOM 0 HA LYS A 69 5.583 4.698 -4.876 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.349 4.189 -7.839 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.287 5.837 -7.247 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.578 3.855 -6.944 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.583 5.359 -7.844 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.935 6.420 -5.466 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.647 4.945 -4.843 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.729 5.410 -6.191 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.017 6.914 -6.741 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.504 7.271 -4.898 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.916 7.672 -4.450 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.606 6.215 -3.917 1.00 10.00 H new ATOM 1070 N LEU A 70 3.409 6.102 -5.118 1.00 10.00 N ATOM 1071 CA LEU A 70 2.113 6.777 -5.155 1.00 10.00 C ATOM 1072 C LEU A 70 1.668 6.962 -6.606 1.00 10.00 C ATOM 1073 O LEU A 70 2.491 6.996 -7.521 1.00 10.00 O ATOM 1074 CB LEU A 70 2.189 8.163 -4.504 1.00 10.00 C ATOM 1075 CG LEU A 70 0.876 8.706 -3.916 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.502 7.955 -2.637 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.057 10.192 -3.588 1.00 10.00 C ATOM 0 H LEU A 70 4.150 6.635 -4.663 1.00 10.00 H new ATOM 0 HA LEU A 70 1.404 6.158 -4.606 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.933 8.128 -3.708 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.551 8.872 -5.248 1.00 10.00 H new ATOM 0 HG LEU A 70 0.079 8.569 -4.647 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.430 8.356 -2.239 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.375 6.896 -2.861 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.294 8.077 -1.898 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.131 10.588 -3.170 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.862 10.309 -2.862 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.307 10.738 -4.498 1.00 10.00 H new ATOM 1089 N LYS A 71 0.364 7.141 -6.785 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.299 7.459 -8.016 1.00 10.00 C ATOM 1091 C LYS A 71 -0.807 8.899 -7.889 1.00 10.00 C ATOM 1092 O LYS A 71 -0.232 9.811 -8.475 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.410 6.420 -8.172 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.237 6.675 -9.425 1.00 10.00 C ATOM 1095 CD LYS A 71 -1.977 5.537 -10.415 1.00 10.00 C ATOM 1096 CE LYS A 71 -2.481 5.821 -11.832 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.217 4.657 -12.702 1.00 10.00 N ATOM 0 H LYS A 71 -0.293 7.059 -6.009 1.00 10.00 H new ATOM 0 HA LYS A 71 0.331 7.418 -8.904 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.973 5.422 -8.219 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -2.058 6.443 -7.296 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.297 6.726 -9.176 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.967 7.633 -9.869 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.906 5.340 -10.454 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.455 4.630 -10.045 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.549 6.036 -11.811 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.986 6.705 -12.233 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -1.716 4.970 -13.558 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.631 3.967 -12.190 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.118 4.213 -12.971 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.873 9.103 -7.107 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.458 10.422 -6.894 1.00 10.00 C ATOM 1113 C GLY A 72 -3.866 10.350 -6.300 1.00 10.00 C ATOM 1114 O GLY A 72 -4.740 11.096 -6.727 1.00 10.00 O ATOM 0 H GLY A 72 -2.351 8.354 -6.606 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.815 10.998 -6.228 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.494 10.957 -7.843 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.045 9.492 -5.287 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.234 9.429 -4.441 1.00 10.00 C ATOM 1120 C GLU A 73 -6.483 8.879 -5.159 1.00 10.00 C ATOM 1121 O GLU A 73 -6.577 8.873 -6.383 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.475 10.781 -3.744 1.00 10.00 C ATOM 1123 CG GLU A 73 -4.178 11.378 -3.160 1.00 10.00 C ATOM 1124 CD GLU A 73 -4.419 12.667 -2.383 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -5.414 13.355 -2.699 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -3.573 12.961 -1.512 1.00 10.00 O ATOM 0 H GLU A 73 -3.340 8.802 -5.029 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.034 8.690 -3.665 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -5.906 11.483 -4.457 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.204 10.650 -2.945 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -3.710 10.645 -2.503 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -3.476 11.574 -3.971 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.431 8.353 -4.378 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.617 7.667 -4.878 1.00 10.00 C ATOM 1135 C GLN A 74 -9.600 8.658 -5.507 1.00 10.00 C ATOM 1136 O GLN A 74 -10.452 9.208 -4.799 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.315 6.875 -3.752 1.00 10.00 C ATOM 1138 CG GLN A 74 -8.603 5.597 -3.295 1.00 10.00 C ATOM 1139 CD GLN A 74 -7.539 5.864 -2.235 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -6.684 6.720 -2.407 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -7.601 5.165 -1.105 1.00 10.00 N ATOM 0 H GLN A 74 -7.391 8.395 -3.360 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.291 6.965 -5.646 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -9.431 7.532 -2.890 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -10.317 6.610 -4.088 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.339 4.898 -2.897 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -8.139 5.116 -4.156 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -8.323 4.455 -0.983 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -6.926 5.339 -0.360 1.00 10.00 H new ATOM 1150 N ASP A 75 -9.523 8.831 -6.832 1.00 10.00 N ATOM 1151 CA ASP A 75 -10.484 9.584 -7.639 1.00 10.00 C ATOM 1152 C ASP A 75 -11.891 8.992 -7.514 1.00 10.00 C ATOM 1153 O ASP A 75 -12.394 8.303 -8.399 1.00 10.00 O ATOM 1154 CB ASP A 75 -10.053 9.638 -9.112 1.00 10.00 C ATOM 1155 CG ASP A 75 -9.022 10.722 -9.385 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -9.350 11.892 -9.090 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -7.944 10.365 -9.907 1.00 10.00 O ATOM 0 H ASP A 75 -8.764 8.437 -7.388 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.506 10.604 -7.255 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -9.642 8.671 -9.401 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -10.930 9.811 -9.736 1.00 10.00 H new ATOM 1162 N SER A 76 -12.549 9.305 -6.401 1.00 10.00 N ATOM 1163 CA SER A 76 -13.908 8.892 -6.108 1.00 10.00 C ATOM 1164 C SER A 76 -14.892 9.513 -7.106 1.00 10.00 C ATOM 1165 O SER A 76 -15.945 8.941 -7.377 1.00 10.00 O ATOM 1166 CB SER A 76 -14.232 9.282 -4.664 1.00 10.00 C ATOM 1167 OG SER A 76 -13.276 8.713 -3.780 1.00 10.00 O ATOM 0 H SER A 76 -12.134 9.870 -5.660 1.00 10.00 H new ATOM 0 HA SER A 76 -14.003 7.811 -6.211 1.00 10.00 H new ATOM 0 HB2 SER A 76 -14.232 10.367 -4.563 1.00 10.00 H new ATOM 0 HB3 SER A 76 -15.232 8.938 -4.401 1.00 10.00 H new ATOM 0 HG SER A 76 -13.490 8.969 -2.858 1.00 10.00 H new ATOM 1173 N ILE A 77 -14.548 10.691 -7.635 1.00 10.00 N ATOM 1174 CA ILE A 77 -15.319 11.425 -8.620 1.00 10.00 C ATOM 1175 C ILE A 77 -14.358 12.091 -9.614 1.00 10.00 C ATOM 1176 O ILE A 77 -13.966 13.238 -9.430 1.00 10.00 O ATOM 1177 CB ILE A 77 -16.232 12.451 -7.925 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -15.545 13.168 -6.743 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -17.539 11.789 -7.467 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -16.339 14.380 -6.245 1.00 10.00 C ATOM 0 H ILE A 77 -13.688 11.172 -7.372 1.00 10.00 H new ATOM 0 HA ILE A 77 -15.966 10.744 -9.173 1.00 10.00 H new ATOM 0 HB ILE A 77 -16.458 13.218 -8.666 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -15.413 12.463 -5.922 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -14.550 13.491 -7.048 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -18.171 12.531 -6.978 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -18.062 11.380 -8.331 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -17.314 10.986 -6.766 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -15.809 14.845 -5.414 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -16.448 15.101 -7.055 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -17.325 14.057 -5.912 1.00 10.00 H new ATOM 1192 N GLU A 78 -13.992 11.360 -10.669 1.00 10.00 N ATOM 1193 CA GLU A 78 -13.171 11.880 -11.757 1.00 10.00 C ATOM 1194 C GLU A 78 -14.020 12.848 -12.594 1.00 10.00 C ATOM 1195 O GLU A 78 -13.886 14.063 -12.478 1.00 10.00 O ATOM 1196 CB GLU A 78 -12.609 10.704 -12.577 1.00 10.00 C ATOM 1197 CG GLU A 78 -11.730 11.164 -13.753 1.00 10.00 C ATOM 1198 CD GLU A 78 -11.385 10.014 -14.693 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -12.326 9.262 -15.028 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -10.201 9.923 -15.081 1.00 10.00 O ATOM 0 H GLU A 78 -14.261 10.384 -10.790 1.00 10.00 H new ATOM 0 HA GLU A 78 -12.315 12.439 -11.379 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -12.024 10.058 -11.923 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -13.436 10.106 -12.960 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -12.249 11.944 -14.310 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -10.811 11.605 -13.368 1.00 10.00 H new ATOM 1207 N GLY A 79 -14.901 12.299 -13.437 1.00 10.00 N ATOM 1208 CA GLY A 79 -15.810 13.064 -14.278 1.00 10.00 C ATOM 1209 C GLY A 79 -17.201 13.078 -13.650 1.00 10.00 C ATOM 1210 O GLY A 79 -17.581 14.065 -13.022 1.00 10.00 O ATOM 0 H GLY A 79 -14.999 11.290 -13.551 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -15.442 14.084 -14.394 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -15.855 12.626 -15.275 1.00 10.00 H new ATOM 1214 N ARG A 80 -17.919 11.957 -13.800 1.00 10.00 N ATOM 1215 CA ARG A 80 -19.324 11.797 -13.434 1.00 10.00 C ATOM 1216 C ARG A 80 -20.233 12.622 -14.362 1.00 10.00 C ATOM 1217 O ARG A 80 -21.469 12.473 -14.240 1.00 10.00 O ATOM 1218 CB ARG A 80 -19.523 12.034 -11.921 1.00 10.00 C ATOM 1219 CG ARG A 80 -20.943 11.729 -11.421 1.00 10.00 C ATOM 1220 CD ARG A 80 -21.745 13.029 -11.270 1.00 10.00 C ATOM 1221 NE ARG A 80 -23.183 12.754 -11.146 1.00 10.00 N ATOM 1222 CZ ARG A 80 -24.142 13.689 -11.238 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -23.806 14.972 -11.408 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -25.430 13.337 -11.150 1.00 10.00 N ATOM 1225 OXT ARG A 80 -19.687 13.351 -15.220 1.00 10.00 O ATOM 0 H ARG A 80 -17.517 11.107 -14.195 1.00 10.00 H new ATOM 0 HA ARG A 80 -19.637 10.766 -13.597 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -18.815 11.415 -11.371 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -19.284 13.072 -11.692 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -21.447 11.062 -12.121 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -20.895 11.210 -10.464 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -21.399 13.573 -10.391 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -21.568 13.671 -12.133 1.00 10.00 H new ATOM 0 HE ARG A 80 -23.471 11.790 -10.979 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -22.823 15.238 -11.467 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -24.533 15.684 -11.478 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -25.683 12.358 -11.013 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -26.159 14.047 -11.220 1.00 10.00 H new TER 1239 ARG A 80