USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 THR OG1 : rot 160:sc= 0.218 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -156:sc= 0.23 (180deg=0) USER MOD Set 2.1: A 15 THR OG1 : rot -68:sc= 0.125 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 1 ALA N :NH3+ -175:sc= 0.646 (180deg=0.633) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0.305 X(o=0.31,f=-0.014) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.776 K(o=-0.78,f=-1.3) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 19 THR OG1 : rot 8:sc= 1.24 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.036) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 170:sc= -0.367 (180deg=-0.709) USER MOD Single : A 41 LYS NZ :NH3+ -111:sc= 0.235 (180deg=-0.041) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.273 F(o=-1.5!,f=-0.27) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 71:sc= -0.0283 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -111:sc= 0.202 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -35:sc= 0.577 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.827 9.723 7.389 1.00 0.00 N ATOM 2 CA ALA A 1 18.349 10.866 6.603 1.00 0.00 C ATOM 3 C ALA A 1 18.444 10.562 5.071 1.00 0.00 C ATOM 4 O ALA A 1 19.190 9.675 4.645 1.00 0.00 O ATOM 5 CB ALA A 1 19.707 11.242 7.226 1.00 0.00 C ATOM 0 H1 ALA A 1 17.707 10.010 8.381 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.909 9.425 7.001 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.498 8.930 7.337 1.00 0.00 H new ATOM 0 HA ALA A 1 17.660 11.709 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.137 12.083 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 1 19.564 11.521 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.383 10.389 7.168 1.00 0.00 H new ATOM 12 N LYS A 2 17.697 11.321 4.243 1.00 0.00 N ATOM 13 CA LYS A 2 17.662 11.177 2.748 1.00 0.00 C ATOM 14 C LYS A 2 16.931 9.891 2.235 1.00 0.00 C ATOM 15 O LYS A 2 15.809 9.980 1.728 1.00 0.00 O ATOM 16 CB LYS A 2 19.037 11.453 2.060 1.00 0.00 C ATOM 17 CG LYS A 2 19.569 12.902 2.193 1.00 0.00 C ATOM 18 CD LYS A 2 20.975 13.120 1.595 1.00 0.00 C ATOM 19 CE LYS A 2 21.026 13.068 0.059 1.00 0.00 C ATOM 20 NZ LYS A 2 22.406 13.333 -0.394 1.00 0.00 N ATOM 0 H LYS A 2 17.088 12.065 4.585 1.00 0.00 H new ATOM 0 HA LYS A 2 17.016 11.989 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.777 10.772 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.948 11.213 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.870 13.580 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.590 13.173 3.248 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.352 14.088 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.648 12.362 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.697 12.091 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.344 13.806 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.443 13.298 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.704 14.275 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.045 12.613 -0.001 1.00 0.00 H new ATOM 33 N GLU A 3 17.542 8.704 2.364 1.00 0.00 N ATOM 34 CA GLU A 3 16.922 7.413 1.958 1.00 0.00 C ATOM 35 C GLU A 3 16.035 6.810 3.108 1.00 0.00 C ATOM 36 O GLU A 3 16.360 5.799 3.737 1.00 0.00 O ATOM 37 CB GLU A 3 18.095 6.517 1.471 1.00 0.00 C ATOM 38 CG GLU A 3 17.628 5.256 0.712 1.00 0.00 C ATOM 39 CD GLU A 3 18.759 4.361 0.215 1.00 0.00 C ATOM 40 OE1 GLU A 3 19.431 4.599 -0.782 1.00 0.00 O ATOM 41 OE2 GLU A 3 18.937 3.262 0.996 1.00 0.00 O ATOM 0 H GLU A 3 18.480 8.601 2.752 1.00 0.00 H new ATOM 0 HA GLU A 3 16.206 7.522 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 3 18.745 7.103 0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.693 6.214 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.981 4.672 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.024 5.564 -0.141 1.00 0.00 H new ATOM 49 N ASP A 4 14.889 7.457 3.360 1.00 0.00 N ATOM 50 CA ASP A 4 13.932 7.069 4.431 1.00 0.00 C ATOM 51 C ASP A 4 12.772 6.157 3.879 1.00 0.00 C ATOM 52 O ASP A 4 12.905 5.537 2.821 1.00 0.00 O ATOM 53 CB ASP A 4 13.505 8.429 5.068 1.00 0.00 C ATOM 54 CG ASP A 4 14.597 9.225 5.793 1.00 0.00 C ATOM 55 OD1 ASP A 4 14.907 10.376 5.505 1.00 0.00 O ATOM 56 OD2 ASP A 4 15.200 8.502 6.775 1.00 0.00 O ATOM 0 H ASP A 4 14.588 8.273 2.827 1.00 0.00 H new ATOM 0 HA ASP A 4 14.358 6.426 5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.092 9.059 4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.699 8.235 5.776 1.00 0.00 H new ATOM 62 N ASN A 5 11.633 6.023 4.587 1.00 0.00 N ATOM 63 CA ASN A 5 10.469 5.194 4.128 1.00 0.00 C ATOM 64 C ASN A 5 9.871 5.712 2.766 1.00 0.00 C ATOM 65 O ASN A 5 9.341 6.824 2.688 1.00 0.00 O ATOM 66 CB ASN A 5 9.380 5.189 5.237 1.00 0.00 C ATOM 67 CG ASN A 5 9.764 4.517 6.556 1.00 0.00 C ATOM 68 OD1 ASN A 5 10.431 5.093 7.405 1.00 0.00 O ATOM 69 ND2 ASN A 5 9.366 3.294 6.779 1.00 0.00 N ATOM 0 H ASN A 5 11.481 6.477 5.488 1.00 0.00 H new ATOM 0 HA ASN A 5 10.822 4.178 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.100 6.221 5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.493 4.692 4.844 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.611 2.829 7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.809 2.803 6.079 1.00 0.00 H new ATOM 76 N ILE A 6 9.965 4.912 1.693 1.00 0.00 N ATOM 77 CA ILE A 6 9.624 5.346 0.311 1.00 0.00 C ATOM 78 C ILE A 6 8.171 4.956 -0.050 1.00 0.00 C ATOM 79 O ILE A 6 7.642 3.929 0.384 1.00 0.00 O ATOM 80 CB ILE A 6 10.583 4.707 -0.780 1.00 0.00 C ATOM 81 CG1 ILE A 6 12.006 4.350 -0.291 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.657 5.587 -2.061 1.00 0.00 C ATOM 83 CD1 ILE A 6 12.977 3.702 -1.299 1.00 0.00 C ATOM 0 H ILE A 6 10.279 3.943 1.749 1.00 0.00 H new ATOM 0 HA ILE A 6 9.745 6.429 0.302 1.00 0.00 H new ATOM 0 HB ILE A 6 10.112 3.752 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.471 5.264 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.907 3.675 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.323 5.119 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.661 5.685 -2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.039 6.574 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.933 3.510 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.557 2.762 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.129 4.375 -2.143 1.00 0.00 H new ATOM 95 N GLU A 7 7.551 5.780 -0.894 1.00 0.00 N ATOM 96 CA GLU A 7 6.276 5.419 -1.570 1.00 0.00 C ATOM 97 C GLU A 7 6.606 4.915 -2.989 1.00 0.00 C ATOM 98 O GLU A 7 7.290 5.514 -3.822 1.00 0.00 O ATOM 99 CB GLU A 7 5.132 6.427 -1.453 1.00 0.00 C ATOM 100 CG GLU A 7 5.564 7.843 -1.794 1.00 0.00 C ATOM 101 CD GLU A 7 4.445 8.869 -1.896 1.00 0.00 C ATOM 102 OE1 GLU A 7 4.008 9.505 -0.944 1.00 0.00 O ATOM 103 OE2 GLU A 7 3.973 8.993 -3.165 1.00 0.00 O ATOM 0 H GLU A 7 7.901 6.707 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 7 5.816 4.601 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.321 6.129 -2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.737 6.406 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.272 8.179 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.099 7.821 -2.743 1.00 0.00 H new ATOM 111 N MET A 8 6.167 3.670 -3.113 1.00 0.00 N ATOM 112 CA MET A 8 6.807 2.681 -4.008 1.00 0.00 C ATOM 113 C MET A 8 5.821 1.486 -4.058 1.00 0.00 C ATOM 114 O MET A 8 5.834 0.522 -3.288 1.00 0.00 O ATOM 115 CB MET A 8 8.186 2.422 -3.330 1.00 0.00 C ATOM 116 CG MET A 8 8.941 1.253 -3.919 1.00 0.00 C ATOM 117 SD MET A 8 10.689 1.322 -3.486 1.00 0.00 S ATOM 118 CE MET A 8 11.192 -0.307 -4.056 1.00 0.00 C ATOM 0 H MET A 8 5.362 3.306 -2.604 1.00 0.00 H new ATOM 0 HA MET A 8 6.996 2.957 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.798 3.320 -3.417 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.030 2.244 -2.266 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.511 0.319 -3.557 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.832 1.255 -5.004 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.257 -0.445 -3.868 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.627 -1.070 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.998 -0.394 -5.125 1.00 0.00 H new ATOM 128 N GLN A 9 4.915 1.658 -5.000 1.00 0.00 N ATOM 129 CA GLN A 9 3.620 0.980 -4.940 1.00 0.00 C ATOM 130 C GLN A 9 3.395 -0.135 -5.998 1.00 0.00 C ATOM 131 O GLN A 9 4.336 -0.820 -6.382 1.00 0.00 O ATOM 132 CB GLN A 9 2.623 2.138 -5.058 1.00 0.00 C ATOM 133 CG GLN A 9 2.828 3.563 -5.640 1.00 0.00 C ATOM 134 CD GLN A 9 3.561 3.721 -6.972 1.00 0.00 C ATOM 135 OE1 GLN A 9 4.705 4.157 -7.020 1.00 0.00 O ATOM 136 NE2 GLN A 9 2.962 3.342 -8.068 1.00 0.00 N ATOM 0 H GLN A 9 5.043 2.257 -5.816 1.00 0.00 H new ATOM 0 HA GLN A 9 3.517 0.403 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.787 1.726 -5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.269 2.303 -4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.844 4.018 -5.750 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.368 4.148 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.010 2.979 -8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.446 3.409 -8.963 1.00 0.00 H new ATOM 145 N GLY A 10 2.139 -0.340 -6.428 1.00 0.00 N ATOM 146 CA GLY A 10 1.808 -1.365 -7.456 1.00 0.00 C ATOM 147 C GLY A 10 0.324 -1.500 -7.856 1.00 0.00 C ATOM 148 O GLY A 10 -0.387 -0.504 -8.001 1.00 0.00 O ATOM 0 H GLY A 10 1.333 0.183 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.382 -1.141 -8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.150 -2.334 -7.092 1.00 0.00 H new ATOM 152 N THR A 11 -0.131 -2.742 -8.086 1.00 0.00 N ATOM 153 CA THR A 11 -1.547 -3.030 -8.482 1.00 0.00 C ATOM 154 C THR A 11 -2.146 -3.996 -7.430 1.00 0.00 C ATOM 155 O THR A 11 -1.497 -4.977 -7.040 1.00 0.00 O ATOM 156 CB THR A 11 -1.571 -3.614 -9.927 1.00 0.00 C ATOM 157 OG1 THR A 11 -0.999 -2.679 -10.837 1.00 0.00 O ATOM 158 CG2 THR A 11 -2.973 -3.909 -10.481 1.00 0.00 C ATOM 0 H THR A 11 0.452 -3.575 -8.008 1.00 0.00 H new ATOM 0 HA THR A 11 -2.156 -2.126 -8.501 1.00 0.00 H new ATOM 0 HB THR A 11 -1.018 -4.550 -9.846 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.722 -3.145 -11.653 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.888 -4.312 -11.490 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.472 -4.637 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.556 -2.988 -10.506 1.00 0.00 H new ATOM 166 N VAL A 12 -3.378 -3.726 -6.952 1.00 0.00 N ATOM 167 CA VAL A 12 -4.040 -4.604 -5.948 1.00 0.00 C ATOM 168 C VAL A 12 -4.190 -6.088 -6.526 1.00 0.00 C ATOM 169 O VAL A 12 -4.925 -6.289 -7.497 1.00 0.00 O ATOM 170 CB VAL A 12 -5.502 -4.146 -5.589 1.00 0.00 C ATOM 171 CG1 VAL A 12 -6.088 -5.031 -4.470 1.00 0.00 C ATOM 172 CG2 VAL A 12 -5.848 -2.712 -5.163 1.00 0.00 C ATOM 0 H VAL A 12 -3.934 -2.919 -7.236 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.406 -4.552 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.921 -4.235 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.099 -4.699 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.115 -6.069 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.465 -4.952 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.918 -2.639 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.296 -2.458 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.576 -2.020 -5.960 1.00 0.00 H new ATOM 182 N LEU A 13 -3.534 -7.113 -5.969 1.00 0.00 N ATOM 183 CA LEU A 13 -3.877 -8.546 -6.292 1.00 0.00 C ATOM 184 C LEU A 13 -5.104 -9.061 -5.452 1.00 0.00 C ATOM 185 O LEU A 13 -5.858 -9.908 -5.931 1.00 0.00 O ATOM 186 CB LEU A 13 -2.690 -9.543 -6.200 1.00 0.00 C ATOM 187 CG LEU A 13 -1.416 -9.287 -7.040 1.00 0.00 C ATOM 188 CD1 LEU A 13 -0.499 -10.520 -6.924 1.00 0.00 C ATOM 189 CD2 LEU A 13 -1.689 -8.986 -8.525 1.00 0.00 C ATOM 0 H LEU A 13 -2.771 -7.004 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.154 -8.521 -7.346 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.387 -9.595 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.069 -10.528 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.944 -8.391 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.405 -10.357 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.231 -10.677 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.022 -11.399 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.744 -8.819 -9.042 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.206 -9.832 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.310 -8.094 -8.607 1.00 0.00 H new ATOM 201 N GLU A 14 -5.286 -8.590 -4.202 1.00 0.00 N ATOM 202 CA GLU A 14 -6.516 -8.831 -3.401 1.00 0.00 C ATOM 203 C GLU A 14 -6.833 -7.611 -2.481 1.00 0.00 C ATOM 204 O GLU A 14 -5.976 -7.018 -1.842 1.00 0.00 O ATOM 205 CB GLU A 14 -6.373 -10.138 -2.588 1.00 0.00 C ATOM 206 CG GLU A 14 -7.372 -10.434 -1.444 1.00 0.00 C ATOM 207 CD GLU A 14 -7.540 -11.908 -1.094 1.00 0.00 C ATOM 208 OE1 GLU A 14 -8.551 -12.558 -1.329 1.00 0.00 O ATOM 209 OE2 GLU A 14 -6.439 -12.425 -0.486 1.00 0.00 O ATOM 0 H GLU A 14 -4.587 -8.030 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.360 -8.947 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.426 -10.969 -3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.371 -10.148 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.046 -9.900 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.346 -10.029 -1.720 1.00 0.00 H new ATOM 217 N THR A 15 -8.116 -7.325 -2.366 1.00 0.00 N ATOM 218 CA THR A 15 -8.674 -6.338 -1.364 1.00 0.00 C ATOM 219 C THR A 15 -9.027 -7.251 -0.154 1.00 0.00 C ATOM 220 O THR A 15 -9.917 -8.104 -0.250 1.00 0.00 O ATOM 221 CB THR A 15 -9.897 -5.553 -1.899 1.00 0.00 C ATOM 222 OG1 THR A 15 -10.897 -6.403 -2.458 1.00 0.00 O ATOM 223 CG2 THR A 15 -9.453 -4.559 -2.965 1.00 0.00 C ATOM 0 H THR A 15 -8.832 -7.754 -2.952 1.00 0.00 H new ATOM 0 HA THR A 15 -7.971 -5.543 -1.114 1.00 0.00 H new ATOM 0 HB THR A 15 -10.333 -5.037 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.558 -6.808 -3.283 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.320 -4.012 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.738 -3.858 -2.534 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.983 -5.095 -3.789 1.00 0.00 H new ATOM 231 N LEU A 16 -8.270 -7.117 0.938 1.00 0.00 N ATOM 232 CA LEU A 16 -8.199 -8.172 1.991 1.00 0.00 C ATOM 233 C LEU A 16 -9.410 -8.136 3.039 1.00 0.00 C ATOM 234 O LEU A 16 -10.531 -8.056 2.527 1.00 0.00 O ATOM 235 CB LEU A 16 -6.678 -8.010 2.362 1.00 0.00 C ATOM 236 CG LEU A 16 -5.689 -9.111 1.915 1.00 0.00 C ATOM 237 CD1 LEU A 16 -4.288 -8.757 2.418 1.00 0.00 C ATOM 238 CD2 LEU A 16 -6.038 -10.549 2.295 1.00 0.00 C ATOM 0 H LEU A 16 -7.694 -6.297 1.129 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.403 -9.217 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.333 -7.065 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.609 -7.922 3.446 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.749 -9.114 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.584 -9.529 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.983 -7.798 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.298 -8.692 3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.265 -11.221 1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.101 -10.634 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.997 -10.819 1.854 1.00 0.00 H new ATOM 250 N PRO A 17 -9.393 -8.210 4.416 1.00 0.00 N ATOM 251 CA PRO A 17 -10.637 -8.277 5.239 1.00 0.00 C ATOM 252 C PRO A 17 -11.475 -6.961 5.373 1.00 0.00 C ATOM 253 O PRO A 17 -12.574 -6.879 4.823 1.00 0.00 O ATOM 254 CB PRO A 17 -10.039 -8.873 6.527 1.00 0.00 C ATOM 255 CG PRO A 17 -8.650 -8.352 6.684 1.00 0.00 C ATOM 256 CD PRO A 17 -8.218 -8.476 5.259 1.00 0.00 C ATOM 0 HA PRO A 17 -11.445 -8.864 4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.647 -8.600 7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.032 -9.962 6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.620 -7.326 7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.046 -8.951 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.419 -7.768 5.038 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.824 -9.473 5.063 1.00 0.00 H new ATOM 264 N ASN A 18 -10.979 -5.938 6.091 1.00 0.00 N ATOM 265 CA ASN A 18 -11.667 -4.625 6.226 1.00 0.00 C ATOM 266 C ASN A 18 -11.563 -3.820 4.895 1.00 0.00 C ATOM 267 O ASN A 18 -12.523 -3.729 4.130 1.00 0.00 O ATOM 268 CB ASN A 18 -11.148 -3.939 7.506 1.00 0.00 C ATOM 269 CG ASN A 18 -11.474 -4.556 8.860 1.00 0.00 C ATOM 270 OD1 ASN A 18 -11.526 -5.760 9.067 1.00 0.00 O ATOM 271 ND2 ASN A 18 -11.557 -3.739 9.869 1.00 0.00 N ATOM 0 H ASN A 18 -10.094 -5.989 6.595 1.00 0.00 H new ATOM 0 HA ASN A 18 -12.743 -4.723 6.368 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.063 -3.874 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.529 -2.918 7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.664 -4.106 10.815 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.515 -2.732 9.714 1.00 0.00 H new ATOM 278 N THR A 19 -10.392 -3.244 4.625 1.00 0.00 N ATOM 279 CA THR A 19 -10.073 -2.552 3.348 1.00 0.00 C ATOM 280 C THR A 19 -8.515 -2.574 3.267 1.00 0.00 C ATOM 281 O THR A 19 -7.832 -1.607 3.625 1.00 0.00 O ATOM 282 CB THR A 19 -10.776 -1.177 3.281 1.00 0.00 C ATOM 283 OG1 THR A 19 -12.172 -1.327 3.060 1.00 0.00 O ATOM 284 CG2 THR A 19 -10.289 -0.234 2.162 1.00 0.00 C ATOM 0 H THR A 19 -9.617 -3.237 5.289 1.00 0.00 H new ATOM 0 HA THR A 19 -10.460 -3.034 2.450 1.00 0.00 H new ATOM 0 HB THR A 19 -10.532 -0.735 4.247 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.413 -2.275 3.120 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.847 0.701 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.227 -0.029 2.296 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.448 -0.707 1.193 1.00 0.00 H new ATOM 292 N MET A 20 -7.960 -3.746 2.903 1.00 0.00 N ATOM 293 CA MET A 20 -6.496 -3.959 2.759 1.00 0.00 C ATOM 294 C MET A 20 -6.108 -4.416 1.332 1.00 0.00 C ATOM 295 O MET A 20 -6.969 -4.486 0.477 1.00 0.00 O ATOM 296 CB MET A 20 -6.053 -4.877 3.931 1.00 0.00 C ATOM 297 CG MET A 20 -6.168 -4.156 5.273 1.00 0.00 C ATOM 298 SD MET A 20 -5.589 -5.175 6.641 1.00 0.00 S ATOM 299 CE MET A 20 -5.999 -4.075 8.004 1.00 0.00 C ATOM 0 H MET A 20 -8.512 -4.579 2.698 1.00 0.00 H new ATOM 0 HA MET A 20 -5.934 -3.029 2.847 1.00 0.00 H new ATOM 0 HB2 MET A 20 -6.669 -5.776 3.945 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.023 -5.198 3.775 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.589 -3.233 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.207 -3.875 5.445 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.711 -4.540 8.947 1.00 0.00 H new ATOM 0 HE2 MET A 20 -5.463 -3.133 7.885 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.072 -3.884 8.007 1.00 0.00 H new ATOM 309 N PHE A 21 -4.834 -4.641 1.006 1.00 0.00 N ATOM 310 CA PHE A 21 -4.372 -4.805 -0.409 1.00 0.00 C ATOM 311 C PHE A 21 -3.221 -5.850 -0.388 1.00 0.00 C ATOM 312 O PHE A 21 -2.140 -5.563 0.137 1.00 0.00 O ATOM 313 CB PHE A 21 -3.869 -3.457 -0.985 1.00 0.00 C ATOM 314 CG PHE A 21 -4.888 -2.321 -0.920 1.00 0.00 C ATOM 315 CD1 PHE A 21 -6.037 -2.467 -1.683 1.00 0.00 C ATOM 316 CD2 PHE A 21 -4.941 -1.594 0.258 1.00 0.00 C ATOM 317 CE1 PHE A 21 -7.242 -1.927 -1.251 1.00 0.00 C ATOM 318 CE2 PHE A 21 -6.172 -1.098 0.678 1.00 0.00 C ATOM 319 CZ PHE A 21 -7.277 -1.126 -0.146 1.00 0.00 C ATOM 0 H PHE A 21 -4.085 -4.717 1.695 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.192 -5.138 -1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.973 -3.156 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.577 -3.607 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.995 -3.004 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.047 -1.416 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.153 -2.141 -1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.263 -0.682 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.149 -0.529 0.077 1.00 0.00 H new ATOM 329 N ARG A 22 -3.415 -7.065 -0.911 1.00 0.00 N ATOM 330 CA ARG A 22 -2.265 -7.994 -1.149 1.00 0.00 C ATOM 331 C ARG A 22 -1.718 -7.559 -2.537 1.00 0.00 C ATOM 332 O ARG A 22 -2.349 -7.820 -3.556 1.00 0.00 O ATOM 333 CB ARG A 22 -2.635 -9.473 -1.026 1.00 0.00 C ATOM 334 CG ARG A 22 -1.395 -10.394 -0.979 1.00 0.00 C ATOM 335 CD ARG A 22 -1.764 -11.851 -0.684 1.00 0.00 C ATOM 336 NE ARG A 22 -0.542 -12.697 -0.679 1.00 0.00 N ATOM 337 CZ ARG A 22 0.263 -12.910 0.356 1.00 0.00 C ATOM 338 NH1 ARG A 22 0.095 -12.395 1.539 1.00 0.00 N ATOM 339 NH2 ARG A 22 1.277 -13.675 0.164 1.00 0.00 N ATOM 0 H ARG A 22 -4.327 -7.437 -1.177 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.494 -7.916 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.228 -9.622 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.263 -9.758 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.869 -10.341 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.706 -10.034 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.266 -11.919 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.465 -12.216 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.298 -13.159 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.699 -11.781 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.757 -12.606 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.436 -14.090 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.923 -13.867 0.930 1.00 0.00 H new ATOM 352 N VAL A 23 -0.619 -6.811 -2.554 1.00 0.00 N ATOM 353 CA VAL A 23 -0.199 -6.029 -3.760 1.00 0.00 C ATOM 354 C VAL A 23 1.061 -6.567 -4.475 1.00 0.00 C ATOM 355 O VAL A 23 2.051 -6.922 -3.838 1.00 0.00 O ATOM 356 CB VAL A 23 0.040 -4.510 -3.401 1.00 0.00 C ATOM 357 CG1 VAL A 23 -0.224 -3.567 -4.576 1.00 0.00 C ATOM 358 CG2 VAL A 23 -0.878 -3.929 -2.321 1.00 0.00 C ATOM 0 H VAL A 23 0.011 -6.716 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.033 -6.140 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 23 1.079 -4.548 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.042 -2.538 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.441 -3.819 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.260 -3.670 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.626 -2.882 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.916 -4.006 -2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.746 -4.486 -1.393 1.00 0.00 H new ATOM 368 N GLU A 24 1.050 -6.524 -5.810 1.00 0.00 N ATOM 369 CA GLU A 24 2.270 -6.833 -6.611 1.00 0.00 C ATOM 370 C GLU A 24 2.981 -5.478 -6.881 1.00 0.00 C ATOM 371 O GLU A 24 2.455 -4.653 -7.639 1.00 0.00 O ATOM 372 CB GLU A 24 1.847 -7.562 -7.906 1.00 0.00 C ATOM 373 CG GLU A 24 3.022 -8.077 -8.777 1.00 0.00 C ATOM 374 CD GLU A 24 2.569 -8.868 -9.998 1.00 0.00 C ATOM 375 OE1 GLU A 24 2.470 -8.396 -11.124 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.279 -10.162 -9.697 1.00 0.00 O ATOM 0 H GLU A 24 0.229 -6.283 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 24 2.962 -7.496 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.213 -8.408 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.239 -6.884 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.621 -7.227 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.669 -8.706 -8.166 1.00 0.00 H new ATOM 384 N LEU A 25 4.130 -5.200 -6.238 1.00 0.00 N ATOM 385 CA LEU A 25 4.818 -3.912 -6.377 1.00 0.00 C ATOM 386 C LEU A 25 5.612 -3.733 -7.690 1.00 0.00 C ATOM 387 O LEU A 25 5.898 -4.657 -8.456 1.00 0.00 O ATOM 388 CB LEU A 25 5.568 -3.719 -5.017 1.00 0.00 C ATOM 389 CG LEU A 25 7.072 -3.605 -4.863 1.00 0.00 C ATOM 390 CD1 LEU A 25 7.547 -2.132 -4.885 1.00 0.00 C ATOM 391 CD2 LEU A 25 7.619 -4.215 -3.551 1.00 0.00 C ATOM 0 H LEU A 25 4.600 -5.857 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 25 4.133 -3.077 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.152 -2.816 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.265 -4.555 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 25 7.457 -4.166 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.631 -2.097 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.266 -1.673 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.079 -1.586 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.702 -4.093 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.169 -3.706 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.372 -5.276 -3.512 1.00 0.00 H new ATOM 403 N GLU A 26 6.022 -2.486 -7.870 1.00 0.00 N ATOM 404 CA GLU A 26 6.988 -2.109 -8.942 1.00 0.00 C ATOM 405 C GLU A 26 8.448 -2.665 -8.738 1.00 0.00 C ATOM 406 O GLU A 26 9.255 -2.598 -9.667 1.00 0.00 O ATOM 407 CB GLU A 26 6.844 -0.594 -9.249 1.00 0.00 C ATOM 408 CG GLU A 26 7.153 0.441 -8.131 1.00 0.00 C ATOM 409 CD GLU A 26 6.614 1.851 -8.388 1.00 0.00 C ATOM 410 OE1 GLU A 26 5.818 2.151 -9.275 1.00 0.00 O ATOM 411 OE2 GLU A 26 7.076 2.743 -7.475 1.00 0.00 O ATOM 0 H GLU A 26 5.711 -1.702 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 26 6.725 -2.632 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.494 -0.368 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.820 -0.423 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.737 0.075 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.233 0.500 -7.999 1.00 0.00 H new ATOM 419 N ASN A 27 8.768 -3.261 -7.566 1.00 0.00 N ATOM 420 CA ASN A 27 9.996 -4.108 -7.412 1.00 0.00 C ATOM 421 C ASN A 27 9.722 -5.643 -7.714 1.00 0.00 C ATOM 422 O ASN A 27 10.666 -6.434 -7.719 1.00 0.00 O ATOM 423 CB ASN A 27 10.514 -3.810 -5.984 1.00 0.00 C ATOM 424 CG ASN A 27 11.714 -4.556 -5.441 1.00 0.00 C ATOM 425 OD1 ASN A 27 12.864 -4.273 -5.741 1.00 0.00 O ATOM 426 ND2 ASN A 27 11.477 -5.409 -4.486 1.00 0.00 N ATOM 0 H ASN A 27 8.208 -3.179 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 27 10.763 -3.864 -8.147 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.747 -2.746 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.686 -3.984 -5.296 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.253 -5.843 -3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.516 -5.643 -4.238 1.00 0.00 H new ATOM 433 N GLY A 28 8.463 -6.089 -7.940 1.00 0.00 N ATOM 434 CA GLY A 28 8.120 -7.501 -8.245 1.00 0.00 C ATOM 435 C GLY A 28 7.696 -8.437 -7.086 1.00 0.00 C ATOM 436 O GLY A 28 7.051 -9.458 -7.324 1.00 0.00 O ATOM 0 H GLY A 28 7.649 -5.474 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.310 -7.493 -8.975 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.984 -7.952 -8.733 1.00 0.00 H new ATOM 440 N HIS A 29 8.053 -8.092 -5.846 1.00 0.00 N ATOM 441 CA HIS A 29 7.683 -8.870 -4.633 1.00 0.00 C ATOM 442 C HIS A 29 6.201 -8.599 -4.208 1.00 0.00 C ATOM 443 O HIS A 29 5.727 -7.454 -4.225 1.00 0.00 O ATOM 444 CB HIS A 29 8.675 -8.505 -3.490 1.00 0.00 C ATOM 445 CG HIS A 29 10.072 -9.124 -3.589 1.00 0.00 C ATOM 446 ND1 HIS A 29 10.549 -10.046 -2.668 1.00 0.00 N ATOM 447 CD2 HIS A 29 11.057 -8.840 -4.555 1.00 0.00 C ATOM 448 CE1 HIS A 29 11.808 -10.240 -3.174 1.00 0.00 C ATOM 449 NE2 HIS A 29 12.205 -9.566 -4.296 1.00 0.00 N ATOM 0 H HIS A 29 8.610 -7.263 -5.641 1.00 0.00 H new ATOM 0 HA HIS A 29 7.753 -9.936 -4.851 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.781 -7.421 -3.461 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.232 -8.807 -2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 29 10.933 -8.154 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 29 12.486 -10.925 -2.687 1.00 0.00 H new ATOM 0 HE2 HIS A 29 13.093 -9.592 -4.798 1.00 0.00 H new ATOM 457 N VAL A 30 5.469 -9.661 -3.825 1.00 0.00 N ATOM 458 CA VAL A 30 4.056 -9.540 -3.368 1.00 0.00 C ATOM 459 C VAL A 30 4.034 -9.127 -1.859 1.00 0.00 C ATOM 460 O VAL A 30 4.437 -9.866 -0.956 1.00 0.00 O ATOM 461 CB VAL A 30 3.247 -10.823 -3.749 1.00 0.00 C ATOM 462 CG1 VAL A 30 1.878 -10.951 -3.047 1.00 0.00 C ATOM 463 CG2 VAL A 30 2.951 -10.842 -5.266 1.00 0.00 C ATOM 0 H VAL A 30 5.825 -10.617 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 30 3.532 -8.738 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 30 3.884 -11.647 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.388 -11.869 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.024 -10.979 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.254 -10.096 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.387 -11.741 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.367 -9.962 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.890 -10.837 -5.820 1.00 0.00 H new ATOM 473 N VAL A 31 3.548 -7.907 -1.640 1.00 0.00 N ATOM 474 CA VAL A 31 3.483 -7.261 -0.297 1.00 0.00 C ATOM 475 C VAL A 31 2.058 -7.277 0.337 1.00 0.00 C ATOM 476 O VAL A 31 1.025 -7.190 -0.330 1.00 0.00 O ATOM 477 CB VAL A 31 4.034 -5.787 -0.321 1.00 0.00 C ATOM 478 CG1 VAL A 31 5.556 -5.710 -0.492 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.375 -4.831 -1.338 1.00 0.00 C ATOM 0 H VAL A 31 3.180 -7.319 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 31 4.128 -7.873 0.334 1.00 0.00 H new ATOM 0 HB VAL A 31 3.751 -5.436 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.869 -4.666 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.042 -6.228 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.841 -6.181 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.836 -3.846 -1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.514 -5.221 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.309 -4.750 -1.124 1.00 0.00 H new ATOM 489 N THR A 32 2.013 -7.337 1.669 1.00 0.00 N ATOM 490 CA THR A 32 0.746 -7.182 2.440 1.00 0.00 C ATOM 491 C THR A 32 0.596 -5.686 2.836 1.00 0.00 C ATOM 492 O THR A 32 1.445 -5.165 3.568 1.00 0.00 O ATOM 493 CB THR A 32 0.789 -8.102 3.698 1.00 0.00 C ATOM 494 OG1 THR A 32 0.643 -9.459 3.295 1.00 0.00 O ATOM 495 CG2 THR A 32 -0.310 -7.815 4.740 1.00 0.00 C ATOM 0 H THR A 32 2.835 -7.492 2.252 1.00 0.00 H new ATOM 0 HA THR A 32 -0.115 -7.478 1.840 1.00 0.00 H new ATOM 0 HB THR A 32 1.750 -7.900 4.170 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.671 -10.039 4.084 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.203 -8.501 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.215 -6.789 5.096 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.290 -7.951 4.282 1.00 0.00 H new ATOM 503 N ALA A 33 -0.487 -5.006 2.424 1.00 0.00 N ATOM 504 CA ALA A 33 -0.684 -3.597 2.824 1.00 0.00 C ATOM 505 C ALA A 33 -2.112 -3.183 3.251 1.00 0.00 C ATOM 506 O ALA A 33 -3.121 -3.830 2.982 1.00 0.00 O ATOM 507 CB ALA A 33 -0.155 -2.806 1.628 1.00 0.00 C ATOM 0 H ALA A 33 -1.222 -5.392 1.831 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.153 -3.396 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.256 -1.739 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.896 -3.048 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.727 -3.067 0.738 1.00 0.00 H new ATOM 513 N HIS A 34 -2.152 -2.058 3.953 1.00 0.00 N ATOM 514 CA HIS A 34 -3.400 -1.346 4.321 1.00 0.00 C ATOM 515 C HIS A 34 -3.369 -0.004 3.537 1.00 0.00 C ATOM 516 O HIS A 34 -2.713 0.160 2.509 1.00 0.00 O ATOM 517 CB HIS A 34 -3.557 -1.176 5.878 1.00 0.00 C ATOM 518 CG HIS A 34 -2.326 -1.077 6.783 1.00 0.00 C ATOM 519 ND1 HIS A 34 -1.745 -2.180 7.390 1.00 0.00 N ATOM 520 CD2 HIS A 34 -1.571 0.082 7.023 1.00 0.00 C ATOM 521 CE1 HIS A 34 -0.642 -1.574 7.935 1.00 0.00 C ATOM 522 NE2 HIS A 34 -0.462 -0.224 7.790 1.00 0.00 N ATOM 0 H HIS A 34 -1.310 -1.595 4.296 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.286 -1.918 4.046 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.150 -0.277 6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.150 -2.019 6.234 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.820 1.069 6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.084 -2.161 8.478 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.278 0.382 8.146 1.00 0.00 H new ATOM 530 N ILE A 35 -4.152 0.951 3.991 1.00 0.00 N ATOM 531 CA ILE A 35 -4.054 2.345 3.570 1.00 0.00 C ATOM 532 C ILE A 35 -3.625 3.216 4.815 1.00 0.00 C ATOM 533 O ILE A 35 -3.593 2.764 5.969 1.00 0.00 O ATOM 534 CB ILE A 35 -5.427 2.733 2.911 1.00 0.00 C ATOM 535 CG1 ILE A 35 -6.538 3.370 3.794 1.00 0.00 C ATOM 536 CG2 ILE A 35 -6.171 1.766 1.957 1.00 0.00 C ATOM 537 CD1 ILE A 35 -7.018 4.684 3.169 1.00 0.00 C ATOM 0 H ILE A 35 -4.890 0.784 4.675 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.287 2.524 2.816 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.908 3.480 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.375 2.679 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.155 3.554 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.096 2.231 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.538 1.544 1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.403 0.841 2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.796 5.122 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.181 5.378 3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.420 4.489 2.175 1.00 0.00 H new ATOM 549 N SER A 36 -3.355 4.512 4.612 1.00 0.00 N ATOM 550 CA SER A 36 -3.104 5.463 5.719 1.00 0.00 C ATOM 551 C SER A 36 -4.477 5.867 6.342 1.00 0.00 C ATOM 552 O SER A 36 -5.194 6.692 5.768 1.00 0.00 O ATOM 553 CB SER A 36 -2.270 6.608 5.109 1.00 0.00 C ATOM 554 OG SER A 36 -2.992 7.390 4.158 1.00 0.00 O ATOM 0 H SER A 36 -3.303 4.935 3.685 1.00 0.00 H new ATOM 0 HA SER A 36 -2.533 5.060 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.918 7.258 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.387 6.188 4.628 1.00 0.00 H new ATOM 0 HG SER A 36 -2.412 8.098 3.809 1.00 0.00 H new ATOM 560 N GLY A 37 -4.819 5.245 7.492 1.00 0.00 N ATOM 561 CA GLY A 37 -6.129 5.411 8.216 1.00 0.00 C ATOM 562 C GLY A 37 -6.955 6.723 8.217 1.00 0.00 C ATOM 563 O GLY A 37 -8.179 6.702 8.335 1.00 0.00 O ATOM 0 H GLY A 37 -4.189 4.597 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.790 4.634 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.932 5.174 9.261 1.00 0.00 H new ATOM 567 N LYS A 38 -6.265 7.855 8.123 1.00 0.00 N ATOM 568 CA LYS A 38 -6.846 9.208 7.984 1.00 0.00 C ATOM 569 C LYS A 38 -7.688 9.447 6.684 1.00 0.00 C ATOM 570 O LYS A 38 -8.782 10.013 6.746 1.00 0.00 O ATOM 571 CB LYS A 38 -5.648 10.208 8.068 1.00 0.00 C ATOM 572 CG LYS A 38 -4.523 9.987 9.119 1.00 0.00 C ATOM 573 CD LYS A 38 -3.448 11.094 9.137 1.00 0.00 C ATOM 574 CE LYS A 38 -2.509 11.069 7.917 1.00 0.00 C ATOM 575 NZ LYS A 38 -1.498 12.135 8.045 1.00 0.00 N ATOM 0 H LYS A 38 -5.245 7.868 8.141 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.574 9.351 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.175 10.230 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.065 11.200 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.974 9.918 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.040 9.030 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.941 12.065 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.852 10.994 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.020 10.098 7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.083 11.208 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.866 12.115 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.972 13.059 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.942 11.984 8.911 1.00 0.00 H new ATOM 588 N MET A 39 -7.165 9.039 5.515 1.00 0.00 N ATOM 589 CA MET A 39 -7.905 9.119 4.226 1.00 0.00 C ATOM 590 C MET A 39 -9.060 8.104 4.001 1.00 0.00 C ATOM 591 O MET A 39 -9.877 8.383 3.129 1.00 0.00 O ATOM 592 CB MET A 39 -6.974 9.164 2.995 1.00 0.00 C ATOM 593 CG MET A 39 -5.610 8.512 2.971 1.00 0.00 C ATOM 594 SD MET A 39 -4.925 8.458 1.303 1.00 0.00 S ATOM 595 CE MET A 39 -5.628 6.903 0.740 1.00 0.00 C ATOM 0 H MET A 39 -6.227 8.647 5.428 1.00 0.00 H new ATOM 0 HA MET A 39 -8.410 10.079 4.334 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.537 8.735 2.166 1.00 0.00 H new ATOM 0 HB3 MET A 39 -6.818 10.218 2.763 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.933 9.061 3.625 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.684 7.499 3.367 1.00 0.00 H new ATOM 0 HE1 MET A 39 -5.457 6.793 -0.331 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.155 6.077 1.270 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.700 6.895 0.939 1.00 0.00 H new ATOM 605 N ARG A 40 -9.178 6.986 4.725 1.00 0.00 N ATOM 606 CA ARG A 40 -10.379 6.095 4.695 1.00 0.00 C ATOM 607 C ARG A 40 -11.807 6.764 4.631 1.00 0.00 C ATOM 608 O ARG A 40 -12.749 6.184 4.093 1.00 0.00 O ATOM 609 CB ARG A 40 -10.248 5.254 5.987 1.00 0.00 C ATOM 610 CG ARG A 40 -9.172 4.143 5.982 1.00 0.00 C ATOM 611 CD ARG A 40 -9.247 3.175 7.176 1.00 0.00 C ATOM 612 NE ARG A 40 -8.085 2.241 7.179 1.00 0.00 N ATOM 613 CZ ARG A 40 -7.953 1.146 6.434 1.00 0.00 C ATOM 614 NH1 ARG A 40 -8.829 0.738 5.571 1.00 0.00 N ATOM 615 NH2 ARG A 40 -6.880 0.454 6.569 1.00 0.00 N ATOM 0 H ARG A 40 -8.448 6.658 5.357 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.359 5.545 3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.035 5.931 6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.214 4.792 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.264 3.570 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.187 4.609 5.970 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.266 3.741 8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.176 2.606 7.130 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.317 2.462 7.813 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.689 1.268 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.659 -0.113 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.163 0.749 7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.745 -0.391 6.014 1.00 0.00 H new ATOM 628 N LYS A 41 -11.955 7.964 5.210 1.00 0.00 N ATOM 629 CA LYS A 41 -13.203 8.783 5.121 1.00 0.00 C ATOM 630 C LYS A 41 -13.346 9.818 3.940 1.00 0.00 C ATOM 631 O LYS A 41 -14.395 10.431 3.739 1.00 0.00 O ATOM 632 CB LYS A 41 -13.363 9.431 6.526 1.00 0.00 C ATOM 633 CG LYS A 41 -13.997 8.583 7.662 1.00 0.00 C ATOM 634 CD LYS A 41 -13.155 7.423 8.241 1.00 0.00 C ATOM 635 CE LYS A 41 -11.831 7.855 8.895 1.00 0.00 C ATOM 636 NZ LYS A 41 -11.147 6.677 9.462 1.00 0.00 N ATOM 0 H LYS A 41 -11.218 8.408 5.758 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.019 8.114 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.375 9.748 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.964 10.333 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.252 9.255 8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.932 8.166 7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.754 6.891 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.936 6.716 7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.191 8.339 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.024 8.588 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.158 6.735 10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.637 5.811 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.163 6.653 9.127 1.00 0.00 H new ATOM 649 N ASN A 42 -12.278 9.970 3.172 1.00 0.00 N ATOM 650 CA ASN A 42 -12.221 10.715 1.884 1.00 0.00 C ATOM 651 C ASN A 42 -12.198 9.632 0.737 1.00 0.00 C ATOM 652 O ASN A 42 -13.148 9.465 -0.029 1.00 0.00 O ATOM 653 CB ASN A 42 -10.964 11.637 1.968 1.00 0.00 C ATOM 654 CG ASN A 42 -10.794 12.615 0.822 1.00 0.00 C ATOM 655 OD1 ASN A 42 -9.699 13.312 0.818 1.00 0.00 O flip ATOM 656 ND2 ASN A 42 -11.614 12.780 -0.073 1.00 0.00 N flip ATOM 0 H ASN A 42 -11.376 9.566 3.425 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.072 11.364 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.010 12.201 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.076 11.007 2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.478 12.238 -0.080 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.433 13.460 -0.812 1.00 0.00 H new ATOM 663 N TYR A 43 -11.095 8.870 0.678 1.00 0.00 N ATOM 664 CA TYR A 43 -10.936 7.652 -0.144 1.00 0.00 C ATOM 665 C TYR A 43 -11.594 6.461 0.631 1.00 0.00 C ATOM 666 O TYR A 43 -10.980 5.877 1.526 1.00 0.00 O ATOM 667 CB TYR A 43 -9.408 7.533 -0.362 1.00 0.00 C ATOM 668 CG TYR A 43 -8.829 6.330 -1.128 1.00 0.00 C ATOM 669 CD1 TYR A 43 -8.702 5.076 -0.516 1.00 0.00 C ATOM 670 CD2 TYR A 43 -8.272 6.526 -2.394 1.00 0.00 C ATOM 671 CE1 TYR A 43 -8.039 4.036 -1.160 1.00 0.00 C ATOM 672 CE2 TYR A 43 -7.596 5.489 -3.033 1.00 0.00 C ATOM 673 CZ TYR A 43 -7.463 4.254 -2.408 1.00 0.00 C ATOM 674 OH TYR A 43 -6.747 3.262 -3.022 1.00 0.00 O ATOM 0 H TYR A 43 -10.258 9.089 1.219 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.427 7.666 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.084 8.434 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -8.939 7.547 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.123 4.915 0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.366 7.486 -2.880 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.972 3.064 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.175 5.644 -4.015 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.417 3.584 -3.887 1.00 0.00 H new ATOM 684 N ILE A 44 -12.838 6.101 0.288 1.00 0.00 N ATOM 685 CA ILE A 44 -13.560 4.989 0.984 1.00 0.00 C ATOM 686 C ILE A 44 -12.976 3.597 0.568 1.00 0.00 C ATOM 687 O ILE A 44 -12.294 2.961 1.377 1.00 0.00 O ATOM 688 CB ILE A 44 -15.115 5.155 0.869 1.00 0.00 C ATOM 689 CG1 ILE A 44 -15.630 6.588 1.213 1.00 0.00 C ATOM 690 CG2 ILE A 44 -15.865 4.098 1.725 1.00 0.00 C ATOM 691 CD1 ILE A 44 -17.140 6.854 1.067 1.00 0.00 C ATOM 0 H ILE A 44 -13.374 6.548 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 44 -13.378 5.043 2.057 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.338 4.991 -0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.347 6.809 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -15.100 7.298 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.940 4.243 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -15.599 3.098 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -15.583 4.211 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -17.355 7.888 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -17.442 6.679 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -17.693 6.184 1.725 1.00 0.00 H new ATOM 703 N ARG A 45 -13.222 3.132 -0.667 1.00 0.00 N ATOM 704 CA ARG A 45 -12.680 1.857 -1.179 1.00 0.00 C ATOM 705 C ARG A 45 -12.199 1.879 -2.671 1.00 0.00 C ATOM 706 O ARG A 45 -12.363 2.803 -3.468 1.00 0.00 O ATOM 707 CB ARG A 45 -13.677 0.691 -0.913 1.00 0.00 C ATOM 708 CG ARG A 45 -13.869 0.280 0.563 1.00 0.00 C ATOM 709 CD ARG A 45 -14.603 -1.060 0.776 1.00 0.00 C ATOM 710 NE ARG A 45 -13.737 -2.198 0.351 1.00 0.00 N ATOM 711 CZ ARG A 45 -13.760 -3.429 0.847 1.00 0.00 C ATOM 712 NH1 ARG A 45 -14.579 -3.835 1.769 1.00 0.00 N ATOM 713 NH2 ARG A 45 -12.907 -4.270 0.381 1.00 0.00 N ATOM 0 H ARG A 45 -13.803 3.628 -1.342 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.765 1.689 -0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.649 0.972 -1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.339 -0.183 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.890 0.220 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.424 1.066 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.873 -1.172 1.826 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.532 -1.068 0.206 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.063 -2.012 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.265 -3.190 2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.536 -4.799 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.248 -3.980 -0.341 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.889 -5.227 0.734 1.00 0.00 H new ATOM 726 N ILE A 46 -11.574 0.754 -2.974 1.00 0.00 N ATOM 727 CA ILE A 46 -10.943 0.379 -4.272 1.00 0.00 C ATOM 728 C ILE A 46 -11.189 -1.148 -4.521 1.00 0.00 C ATOM 729 O ILE A 46 -11.665 -1.885 -3.649 1.00 0.00 O ATOM 730 CB ILE A 46 -9.473 0.873 -4.377 1.00 0.00 C ATOM 731 CG1 ILE A 46 -8.635 0.599 -3.112 1.00 0.00 C ATOM 732 CG2 ILE A 46 -9.356 2.369 -4.748 1.00 0.00 C ATOM 733 CD1 ILE A 46 -7.254 0.138 -3.502 1.00 0.00 C ATOM 0 H ILE A 46 -11.475 0.010 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.415 0.902 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.062 0.278 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.569 1.503 -2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.122 -0.160 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.304 2.649 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.830 2.542 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.851 2.972 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.667 -0.054 -2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.328 -0.777 -4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.766 0.911 -4.096 1.00 0.00 H new ATOM 745 N LEU A 47 -10.917 -1.618 -5.746 1.00 0.00 N ATOM 746 CA LEU A 47 -11.245 -3.016 -6.154 1.00 0.00 C ATOM 747 C LEU A 47 -9.979 -3.900 -6.352 1.00 0.00 C ATOM 748 O LEU A 47 -8.830 -3.466 -6.213 1.00 0.00 O ATOM 749 CB LEU A 47 -12.195 -2.953 -7.404 1.00 0.00 C ATOM 750 CG LEU A 47 -13.541 -3.724 -7.334 1.00 0.00 C ATOM 751 CD1 LEU A 47 -13.432 -5.237 -7.084 1.00 0.00 C ATOM 752 CD2 LEU A 47 -14.504 -3.093 -6.314 1.00 0.00 C ATOM 0 H LEU A 47 -10.473 -1.064 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.776 -3.523 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.420 -1.905 -7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.640 -3.326 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.943 -3.624 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.430 -5.674 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.858 -5.698 -7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.930 -5.413 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.435 -3.660 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.047 -3.109 -5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.713 -2.062 -6.600 1.00 0.00 H new ATOM 764 N THR A 48 -10.213 -5.181 -6.665 1.00 0.00 N ATOM 765 CA THR A 48 -9.125 -6.168 -6.931 1.00 0.00 C ATOM 766 C THR A 48 -8.500 -5.946 -8.352 1.00 0.00 C ATOM 767 O THR A 48 -8.870 -6.555 -9.358 1.00 0.00 O ATOM 768 CB THR A 48 -9.669 -7.577 -6.597 1.00 0.00 C ATOM 769 OG1 THR A 48 -9.929 -7.695 -5.197 1.00 0.00 O ATOM 770 CG2 THR A 48 -8.736 -8.741 -6.934 1.00 0.00 C ATOM 0 H THR A 48 -11.151 -5.574 -6.744 1.00 0.00 H new ATOM 0 HA THR A 48 -8.260 -6.031 -6.282 1.00 0.00 H new ATOM 0 HB THR A 48 -10.561 -7.654 -7.219 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.274 -8.591 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.214 -9.682 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.524 -8.740 -8.003 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.804 -8.633 -6.379 1.00 0.00 H new ATOM 778 N GLY A 49 -7.559 -4.999 -8.377 1.00 0.00 N ATOM 779 CA GLY A 49 -6.812 -4.567 -9.594 1.00 0.00 C ATOM 780 C GLY A 49 -6.658 -3.048 -9.836 1.00 0.00 C ATOM 781 O GLY A 49 -6.418 -2.612 -10.962 1.00 0.00 O ATOM 0 H GLY A 49 -7.278 -4.490 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.814 -5.003 -9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.308 -4.997 -10.464 1.00 0.00 H new ATOM 785 N ASP A 50 -6.756 -2.248 -8.770 1.00 0.00 N ATOM 786 CA ASP A 50 -6.629 -0.776 -8.814 1.00 0.00 C ATOM 787 C ASP A 50 -5.184 -0.257 -8.525 1.00 0.00 C ATOM 788 O ASP A 50 -4.347 -0.917 -7.899 1.00 0.00 O ATOM 789 CB ASP A 50 -7.701 -0.198 -7.878 1.00 0.00 C ATOM 790 CG ASP A 50 -9.074 -0.006 -8.511 1.00 0.00 C ATOM 791 OD1 ASP A 50 -9.977 -0.828 -8.452 1.00 0.00 O ATOM 792 OD2 ASP A 50 -9.180 1.184 -9.157 1.00 0.00 O ATOM 0 H ASP A 50 -6.929 -2.606 -7.831 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.803 -0.422 -9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.804 -0.858 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.353 0.764 -7.502 1.00 0.00 H new ATOM 798 N LYS A 51 -4.936 0.989 -8.946 1.00 0.00 N ATOM 799 CA LYS A 51 -3.591 1.628 -8.869 1.00 0.00 C ATOM 800 C LYS A 51 -3.329 2.350 -7.521 1.00 0.00 C ATOM 801 O LYS A 51 -3.469 3.557 -7.311 1.00 0.00 O ATOM 802 CB LYS A 51 -3.376 2.505 -10.113 1.00 0.00 C ATOM 803 CG LYS A 51 -3.699 1.816 -11.455 1.00 0.00 C ATOM 804 CD LYS A 51 -3.207 0.369 -11.673 1.00 0.00 C ATOM 805 CE LYS A 51 -2.909 0.035 -13.140 1.00 0.00 C ATOM 806 NZ LYS A 51 -2.585 -1.399 -13.262 1.00 0.00 N ATOM 0 H LYS A 51 -5.652 1.592 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.829 0.848 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.994 3.398 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.338 2.836 -10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.782 1.821 -11.579 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.284 2.432 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.305 0.208 -11.082 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.961 -0.323 -11.298 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.771 0.278 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.076 0.639 -13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.008 -1.553 -14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.053 -1.707 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.465 -1.949 -13.336 1.00 0.00 H new ATOM 819 N VAL A 52 -2.935 1.482 -6.612 1.00 0.00 N ATOM 820 CA VAL A 52 -2.627 1.806 -5.194 1.00 0.00 C ATOM 821 C VAL A 52 -1.298 2.611 -4.957 1.00 0.00 C ATOM 822 O VAL A 52 -0.455 2.709 -5.852 1.00 0.00 O ATOM 823 CB VAL A 52 -2.684 0.456 -4.380 1.00 0.00 C ATOM 824 CG1 VAL A 52 -4.119 0.054 -4.033 1.00 0.00 C ATOM 825 CG2 VAL A 52 -2.076 -0.846 -4.918 1.00 0.00 C ATOM 0 H VAL A 52 -2.810 0.493 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.380 2.508 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.039 0.782 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.110 -0.881 -3.473 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.579 0.835 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.692 -0.079 -4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.231 -1.646 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.557 -1.110 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.007 -0.708 -5.083 1.00 0.00 H new ATOM 835 N THR A 53 -1.111 3.228 -3.760 1.00 0.00 N ATOM 836 CA THR A 53 0.218 3.834 -3.378 1.00 0.00 C ATOM 837 C THR A 53 0.767 3.312 -2.027 1.00 0.00 C ATOM 838 O THR A 53 0.874 3.997 -1.013 1.00 0.00 O ATOM 839 CB THR A 53 0.411 5.374 -3.511 1.00 0.00 C ATOM 840 OG1 THR A 53 -0.012 5.815 -4.795 1.00 0.00 O ATOM 841 CG2 THR A 53 1.897 5.824 -3.347 1.00 0.00 C ATOM 0 H THR A 53 -1.837 3.324 -3.050 1.00 0.00 H new ATOM 0 HA THR A 53 0.832 3.452 -4.193 1.00 0.00 H new ATOM 0 HB THR A 53 -0.185 5.812 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.113 6.784 -4.865 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.963 6.907 -3.451 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.259 5.531 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.508 5.348 -4.114 1.00 0.00 H new ATOM 849 N VAL A 54 1.331 2.123 -2.104 1.00 0.00 N ATOM 850 CA VAL A 54 1.808 1.333 -0.980 1.00 0.00 C ATOM 851 C VAL A 54 3.153 1.914 -0.461 1.00 0.00 C ATOM 852 O VAL A 54 4.192 1.748 -1.105 1.00 0.00 O ATOM 853 CB VAL A 54 1.929 -0.165 -1.500 1.00 0.00 C ATOM 854 CG1 VAL A 54 1.419 -1.143 -0.456 1.00 0.00 C ATOM 855 CG2 VAL A 54 1.199 -0.661 -2.781 1.00 0.00 C ATOM 0 H VAL A 54 1.478 1.655 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 54 1.127 1.361 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 54 2.994 -0.140 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.512 -2.161 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.006 -1.040 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.372 -0.931 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.425 -1.715 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.123 -0.535 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.536 -0.081 -3.640 1.00 0.00 H new ATOM 865 N GLU A 55 3.122 2.677 0.648 1.00 0.00 N ATOM 866 CA GLU A 55 4.387 3.208 1.238 1.00 0.00 C ATOM 867 C GLU A 55 5.040 2.110 2.136 1.00 0.00 C ATOM 868 O GLU A 55 4.348 1.409 2.879 1.00 0.00 O ATOM 869 CB GLU A 55 4.143 4.485 2.068 1.00 0.00 C ATOM 870 CG GLU A 55 5.402 5.338 2.372 1.00 0.00 C ATOM 871 CD GLU A 55 5.127 6.622 3.141 1.00 0.00 C ATOM 872 OE1 GLU A 55 5.047 6.686 4.362 1.00 0.00 O ATOM 873 OE2 GLU A 55 4.977 7.694 2.316 1.00 0.00 O ATOM 0 H GLU A 55 2.271 2.938 1.147 1.00 0.00 H new ATOM 0 HA GLU A 55 5.056 3.471 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.423 5.109 1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.683 4.199 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.106 4.732 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.889 5.591 1.430 1.00 0.00 H new ATOM 881 N LEU A 56 6.363 1.986 2.111 1.00 0.00 N ATOM 882 CA LEU A 56 7.066 0.852 2.780 1.00 0.00 C ATOM 883 C LEU A 56 8.490 1.280 3.227 1.00 0.00 C ATOM 884 O LEU A 56 8.641 2.148 4.092 1.00 0.00 O ATOM 885 CB LEU A 56 6.958 -0.481 1.943 1.00 0.00 C ATOM 886 CG LEU A 56 6.960 -0.411 0.400 1.00 0.00 C ATOM 887 CD1 LEU A 56 8.038 0.418 -0.302 1.00 0.00 C ATOM 888 CD2 LEU A 56 6.835 -1.789 -0.263 1.00 0.00 C ATOM 0 H LEU A 56 6.985 2.644 1.641 1.00 0.00 H new ATOM 0 HA LEU A 56 6.558 0.596 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.787 -1.123 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.040 -0.984 2.246 1.00 0.00 H new ATOM 0 HG LEU A 56 6.054 0.174 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.896 0.361 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.965 1.457 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.023 0.027 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.842 -1.673 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.673 -2.416 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.901 -2.258 0.046 1.00 0.00 H new ATOM 900 N THR A 57 9.527 0.655 2.669 1.00 0.00 N ATOM 901 CA THR A 57 10.936 0.906 3.052 1.00 0.00 C ATOM 902 C THR A 57 11.970 0.782 1.871 1.00 0.00 C ATOM 903 O THR A 57 11.680 0.169 0.844 1.00 0.00 O ATOM 904 CB THR A 57 11.388 -0.088 4.182 1.00 0.00 C ATOM 905 OG1 THR A 57 10.640 -1.295 4.261 1.00 0.00 O ATOM 906 CG2 THR A 57 11.455 0.501 5.586 1.00 0.00 C ATOM 0 H THR A 57 9.424 -0.045 1.934 1.00 0.00 H new ATOM 0 HA THR A 57 10.944 1.941 3.392 1.00 0.00 H new ATOM 0 HB THR A 57 12.400 -0.312 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.854 -1.864 3.492 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.777 -0.268 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.167 1.327 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.469 0.866 5.875 1.00 0.00 H new ATOM 914 N PRO A 58 13.235 1.264 2.051 1.00 0.00 N ATOM 915 CA PRO A 58 14.367 0.939 1.138 1.00 0.00 C ATOM 916 C PRO A 58 14.782 -0.568 1.010 1.00 0.00 C ATOM 917 O PRO A 58 14.995 -1.093 -0.082 1.00 0.00 O ATOM 918 CB PRO A 58 15.493 1.790 1.703 1.00 0.00 C ATOM 919 CG PRO A 58 14.762 2.998 2.257 1.00 0.00 C ATOM 920 CD PRO A 58 13.545 2.393 2.946 1.00 0.00 C ATOM 0 HA PRO A 58 14.086 1.148 0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.047 1.262 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.212 2.071 0.933 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.383 3.557 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.473 3.690 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.769 2.063 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.719 3.100 3.016 1.00 0.00 H new ATOM 928 N TYR A 59 14.916 -1.222 2.174 1.00 0.00 N ATOM 929 CA TYR A 59 15.401 -2.627 2.303 1.00 0.00 C ATOM 930 C TYR A 59 14.323 -3.754 2.437 1.00 0.00 C ATOM 931 O TYR A 59 14.458 -4.838 1.868 1.00 0.00 O ATOM 932 CB TYR A 59 16.296 -2.631 3.584 1.00 0.00 C ATOM 933 CG TYR A 59 17.457 -3.636 3.549 1.00 0.00 C ATOM 934 CD1 TYR A 59 17.279 -4.946 4.006 1.00 0.00 C ATOM 935 CD2 TYR A 59 18.703 -3.247 3.046 1.00 0.00 C ATOM 936 CE1 TYR A 59 18.334 -5.856 3.957 1.00 0.00 C ATOM 937 CE2 TYR A 59 19.757 -4.158 3.002 1.00 0.00 C ATOM 938 CZ TYR A 59 19.572 -5.460 3.456 1.00 0.00 C ATOM 939 OH TYR A 59 20.609 -6.349 3.402 1.00 0.00 O ATOM 0 H TYR A 59 14.690 -0.794 3.072 1.00 0.00 H new ATOM 0 HA TYR A 59 15.904 -2.877 1.369 1.00 0.00 H new ATOM 0 HB2 TYR A 59 16.703 -1.630 3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.669 -2.850 4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.321 -5.254 4.398 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.849 -2.238 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.192 -6.868 4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 59 20.718 -3.853 2.615 1.00 0.00 H new ATOM 0 HH TYR A 59 21.399 -5.908 3.025 1.00 0.00 H new ATOM 949 N ASP A 60 13.299 -3.510 3.264 1.00 0.00 N ATOM 950 CA ASP A 60 12.281 -4.520 3.640 1.00 0.00 C ATOM 951 C ASP A 60 10.987 -4.462 2.772 1.00 0.00 C ATOM 952 O ASP A 60 9.921 -4.018 3.213 1.00 0.00 O ATOM 953 CB ASP A 60 12.089 -4.310 5.167 1.00 0.00 C ATOM 954 CG ASP A 60 11.176 -5.317 5.870 1.00 0.00 C ATOM 955 OD1 ASP A 60 10.292 -4.995 6.656 1.00 0.00 O ATOM 956 OD2 ASP A 60 11.431 -6.605 5.514 1.00 0.00 O ATOM 0 H ASP A 60 13.145 -2.600 3.699 1.00 0.00 H new ATOM 0 HA ASP A 60 12.600 -5.541 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.068 -4.342 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.687 -3.310 5.329 1.00 0.00 H new ATOM 962 N LEU A 61 11.076 -5.000 1.547 1.00 0.00 N ATOM 963 CA LEU A 61 9.924 -5.050 0.604 1.00 0.00 C ATOM 964 C LEU A 61 8.950 -6.270 0.810 1.00 0.00 C ATOM 965 O LEU A 61 8.545 -6.961 -0.128 1.00 0.00 O ATOM 966 CB LEU A 61 10.451 -4.927 -0.860 1.00 0.00 C ATOM 967 CG LEU A 61 11.319 -3.719 -1.330 1.00 0.00 C ATOM 968 CD1 LEU A 61 11.010 -2.392 -0.625 1.00 0.00 C ATOM 969 CD2 LEU A 61 12.825 -4.003 -1.233 1.00 0.00 C ATOM 0 H LEU A 61 11.932 -5.411 1.175 1.00 0.00 H new ATOM 0 HA LEU A 61 9.288 -4.194 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.031 -5.827 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.578 -4.958 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 61 11.036 -3.599 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.662 -1.611 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.970 -2.119 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.178 -2.501 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.382 -3.130 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.088 -4.222 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.075 -4.859 -1.860 1.00 0.00 H new ATOM 981 N SER A 62 8.536 -6.472 2.065 1.00 0.00 N ATOM 982 CA SER A 62 7.556 -7.492 2.496 1.00 0.00 C ATOM 983 C SER A 62 6.149 -6.925 2.889 1.00 0.00 C ATOM 984 O SER A 62 5.150 -7.643 2.786 1.00 0.00 O ATOM 985 CB SER A 62 8.244 -8.221 3.677 1.00 0.00 C ATOM 986 OG SER A 62 8.499 -7.375 4.809 1.00 0.00 O ATOM 0 H SER A 62 8.883 -5.912 2.843 1.00 0.00 H new ATOM 0 HA SER A 62 7.316 -8.159 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.617 -9.055 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.187 -8.644 3.331 1.00 0.00 H new ATOM 0 HG SER A 62 9.465 -7.241 4.906 1.00 0.00 H new ATOM 992 N LYS A 63 6.059 -5.666 3.360 1.00 0.00 N ATOM 993 CA LYS A 63 4.792 -5.030 3.792 1.00 0.00 C ATOM 994 C LYS A 63 4.527 -3.661 3.077 1.00 0.00 C ATOM 995 O LYS A 63 5.256 -3.267 2.165 1.00 0.00 O ATOM 996 CB LYS A 63 4.927 -4.925 5.326 1.00 0.00 C ATOM 997 CG LYS A 63 4.571 -6.227 6.075 1.00 0.00 C ATOM 998 CD LYS A 63 3.081 -6.387 6.449 1.00 0.00 C ATOM 999 CE LYS A 63 2.631 -5.484 7.612 1.00 0.00 C ATOM 1000 NZ LYS A 63 1.180 -5.629 7.828 1.00 0.00 N ATOM 0 H LYS A 63 6.869 -5.054 3.453 1.00 0.00 H new ATOM 0 HA LYS A 63 3.914 -5.612 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.951 -4.644 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.281 -4.123 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.866 -7.075 5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.165 -6.276 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.471 -6.167 5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.893 -7.427 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.171 -5.750 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.872 -4.444 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.883 -5.017 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.671 -5.354 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.961 -6.619 8.058 1.00 0.00 H new ATOM 1013 N GLY A 64 3.478 -2.924 3.481 1.00 0.00 N ATOM 1014 CA GLY A 64 3.176 -1.590 2.893 1.00 0.00 C ATOM 1015 C GLY A 64 1.888 -0.853 3.312 1.00 0.00 C ATOM 1016 O GLY A 64 1.105 -1.356 4.119 1.00 0.00 O ATOM 0 H GLY A 64 2.824 -3.219 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.017 -0.934 3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.148 -1.709 1.810 1.00 0.00 H new ATOM 1020 N ARG A 65 1.651 0.358 2.761 1.00 0.00 N ATOM 1021 CA ARG A 65 0.371 1.094 2.994 1.00 0.00 C ATOM 1022 C ARG A 65 -0.017 2.277 2.022 1.00 0.00 C ATOM 1023 O ARG A 65 0.678 3.289 1.972 1.00 0.00 O ATOM 1024 CB ARG A 65 0.266 1.628 4.450 1.00 0.00 C ATOM 1025 CG ARG A 65 1.286 2.678 4.980 1.00 0.00 C ATOM 1026 CD ARG A 65 0.672 3.822 5.811 1.00 0.00 C ATOM 1027 NE ARG A 65 0.071 3.304 7.069 1.00 0.00 N ATOM 1028 CZ ARG A 65 -0.266 4.026 8.127 1.00 0.00 C ATOM 1029 NH1 ARG A 65 -0.076 5.308 8.233 1.00 0.00 N ATOM 1030 NH2 ARG A 65 -0.822 3.409 9.108 1.00 0.00 N ATOM 0 H ARG A 65 2.313 0.848 2.159 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.346 0.302 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.729 2.059 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.318 0.765 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.029 2.164 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.815 3.110 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.441 4.558 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.090 4.334 5.224 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.097 2.299 7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.359 5.824 7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.362 5.798 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.987 2.404 9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.099 3.924 9.944 1.00 0.00 H new ATOM 1043 N ILE A 66 -1.020 2.119 1.141 1.00 0.00 N ATOM 1044 CA ILE A 66 -1.741 3.216 0.421 1.00 0.00 C ATOM 1045 C ILE A 66 -1.814 4.647 1.087 1.00 0.00 C ATOM 1046 O ILE A 66 -2.738 4.986 1.829 1.00 0.00 O ATOM 1047 CB ILE A 66 -3.137 2.669 -0.076 1.00 0.00 C ATOM 1048 CG1 ILE A 66 -3.162 1.493 -1.087 1.00 0.00 C ATOM 1049 CG2 ILE A 66 -4.063 3.733 -0.735 1.00 0.00 C ATOM 1050 CD1 ILE A 66 -2.337 0.226 -0.805 1.00 0.00 C ATOM 0 H ILE A 66 -1.374 1.195 0.892 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.097 3.465 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.486 2.322 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.201 1.185 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.837 1.885 -2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.997 3.262 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.276 4.525 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.566 4.158 -1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.476 -0.487 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.282 0.488 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.668 -0.222 0.132 1.00 0.00 H new ATOM 1062 N VAL A 67 -0.825 5.478 0.749 1.00 0.00 N ATOM 1063 CA VAL A 67 -0.736 6.903 1.198 1.00 0.00 C ATOM 1064 C VAL A 67 -1.373 8.000 0.256 1.00 0.00 C ATOM 1065 O VAL A 67 -1.616 9.118 0.716 1.00 0.00 O ATOM 1066 CB VAL A 67 0.762 7.235 1.525 1.00 0.00 C ATOM 1067 CG1 VAL A 67 1.257 6.628 2.855 1.00 0.00 C ATOM 1068 CG2 VAL A 67 1.807 6.989 0.408 1.00 0.00 C ATOM 0 H VAL A 67 -0.048 5.195 0.151 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.369 6.962 2.083 1.00 0.00 H new ATOM 0 HB VAL A 67 0.705 8.319 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.301 6.900 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.653 7.012 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.167 5.542 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.798 7.261 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.799 5.936 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.560 7.597 -0.462 1.00 0.00 H new ATOM 1078 N PHE A 68 -1.626 7.731 -1.039 1.00 0.00 N ATOM 1079 CA PHE A 68 -2.146 8.744 -2.003 1.00 0.00 C ATOM 1080 C PHE A 68 -3.690 9.022 -1.930 1.00 0.00 C ATOM 1081 O PHE A 68 -4.516 8.142 -2.196 1.00 0.00 O ATOM 1082 CB PHE A 68 -1.688 8.282 -3.419 1.00 0.00 C ATOM 1083 CG PHE A 68 -2.122 9.164 -4.607 1.00 0.00 C ATOM 1084 CD1 PHE A 68 -1.595 10.449 -4.774 1.00 0.00 C ATOM 1085 CD2 PHE A 68 -3.099 8.702 -5.496 1.00 0.00 C ATOM 1086 CE1 PHE A 68 -2.053 11.266 -5.806 1.00 0.00 C ATOM 1087 CE2 PHE A 68 -3.553 9.519 -6.528 1.00 0.00 C ATOM 1088 CZ PHE A 68 -3.033 10.802 -6.680 1.00 0.00 C ATOM 0 H PHE A 68 -1.479 6.811 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.731 9.717 -1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.600 8.219 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.066 7.274 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.831 10.809 -4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.503 7.707 -5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.648 12.260 -5.928 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.308 9.158 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.390 11.438 -7.477 1.00 0.00 H new ATOM 1098 N ARG A 69 -4.066 10.284 -1.658 1.00 0.00 N ATOM 1099 CA ARG A 69 -5.487 10.731 -1.682 1.00 0.00 C ATOM 1100 C ARG A 69 -6.016 10.924 -3.147 1.00 0.00 C ATOM 1101 O ARG A 69 -5.821 11.975 -3.764 1.00 0.00 O ATOM 1102 CB ARG A 69 -5.632 12.047 -0.854 1.00 0.00 C ATOM 1103 CG ARG A 69 -5.996 11.857 0.634 1.00 0.00 C ATOM 1104 CD ARG A 69 -6.184 13.198 1.371 1.00 0.00 C ATOM 1105 NE ARG A 69 -6.918 13.015 2.653 1.00 0.00 N ATOM 1106 CZ ARG A 69 -6.372 12.809 3.848 1.00 0.00 C ATOM 1107 NH1 ARG A 69 -5.097 12.679 4.060 1.00 0.00 N ATOM 1108 NH2 ARG A 69 -7.167 12.728 4.856 1.00 0.00 N ATOM 0 H ARG A 69 -3.407 11.024 -1.416 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.100 9.952 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.694 12.599 -0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.397 12.668 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.913 11.273 0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.211 11.282 1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.210 13.646 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.731 13.892 0.733 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.936 13.051 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.442 12.733 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.751 12.523 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.174 12.821 4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.791 12.571 5.791 1.00 0.00 H new ATOM 1121 N SER A 70 -6.702 9.908 -3.696 1.00 0.00 N ATOM 1122 CA SER A 70 -7.353 10.022 -5.043 1.00 0.00 C ATOM 1123 C SER A 70 -8.685 10.861 -5.088 1.00 0.00 C ATOM 1124 O SER A 70 -9.012 11.435 -6.128 1.00 0.00 O ATOM 1125 CB SER A 70 -7.558 8.602 -5.625 1.00 0.00 C ATOM 1126 OG SER A 70 -6.338 7.859 -5.674 1.00 0.00 O ATOM 0 H SER A 70 -6.828 9.001 -3.246 1.00 0.00 H new ATOM 0 HA SER A 70 -6.669 10.601 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.286 8.064 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.975 8.679 -6.629 1.00 0.00 H new ATOM 0 HG SER A 70 -5.594 8.465 -5.873 1.00 0.00 H new ATOM 1132 N ARG A 71 -9.451 10.921 -3.984 1.00 0.00 N ATOM 1133 CA ARG A 71 -10.704 11.705 -3.872 1.00 0.00 C ATOM 1134 C ARG A 71 -10.426 13.147 -3.342 1.00 0.00 C ATOM 1135 O ARG A 71 -9.612 13.437 -2.463 1.00 0.00 O ATOM 1136 CB ARG A 71 -11.633 10.916 -2.907 1.00 0.00 C ATOM 1137 CG ARG A 71 -12.482 9.763 -3.503 1.00 0.00 C ATOM 1138 CD ARG A 71 -11.688 8.548 -4.014 1.00 0.00 C ATOM 1139 NE ARG A 71 -12.654 7.471 -4.347 1.00 0.00 N ATOM 1140 CZ ARG A 71 -12.506 6.177 -4.100 1.00 0.00 C ATOM 1141 NH1 ARG A 71 -11.473 5.640 -3.528 1.00 0.00 N ATOM 1142 NH2 ARG A 71 -13.460 5.396 -4.458 1.00 0.00 N ATOM 1143 OXT ARG A 71 -11.211 14.082 -3.946 1.00 0.00 O ATOM 0 H ARG A 71 -9.217 10.419 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.174 11.829 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.014 10.500 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -12.315 11.628 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.184 9.422 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.074 10.160 -4.327 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.102 8.819 -4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.985 8.207 -3.255 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.517 7.755 -4.812 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.693 6.226 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.441 4.632 -3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.289 5.779 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.389 4.393 -4.288 1.00 0.00 H new TER 1156 ARG A 71