USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 MET CE :methyl -175:sc= 0 (180deg=-0.0432) USER MOD Single : A 0 MET N :NH3+ -173:sc= 0.55 (180deg=0.479) USER MOD Single : A 2 LYS NZ :NH3+ -145:sc= 0.827 (180deg=0.778) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 150:sc= 0.478 USER MOD Single : A 6 GLN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 7 THR OG1 : rot 167:sc= 1.25 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.714 X(o=-0.71,f=-0.43) USER MOD Single : A 30 TYR OH : rot 180:sc= 0.173 USER MOD Single : A 31 HIS : no HD1:sc= -0.989 X(o=-0.99,f=-1.4) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.19) USER MOD Single : A 35 ASN : amide:sc= 0.347 K(o=0.35,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 1.32 (180deg=1.17) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0361 USER MOD Single : A 55 SER OG : rot -28:sc= 1.02 USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.07) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 16.369 3.774 3.095 1.00 0.00 N ATOM 2 CA MET A 0 15.299 2.970 2.492 1.00 0.00 C ATOM 3 C MET A 0 14.986 1.825 3.440 1.00 0.00 C ATOM 4 O MET A 0 14.358 2.086 4.465 1.00 0.00 O ATOM 5 CB MET A 0 15.626 2.596 1.039 1.00 0.00 C ATOM 6 CG MET A 0 14.396 2.070 0.290 1.00 0.00 C ATOM 7 SD MET A 0 14.751 1.444 -1.375 1.00 0.00 S ATOM 8 CE MET A 0 15.234 2.966 -2.242 1.00 0.00 C ATOM 0 H1 MET A 0 16.522 4.631 2.526 1.00 0.00 H new ATOM 0 H2 MET A 0 16.097 4.045 4.062 1.00 0.00 H new ATOM 0 H3 MET A 0 17.247 3.217 3.125 1.00 0.00 H new ATOM 0 HA MET A 0 14.374 3.535 2.381 1.00 0.00 H new ATOM 0 HB2 MET A 0 16.020 3.470 0.520 1.00 0.00 H new ATOM 0 HB3 MET A 0 16.409 1.838 1.027 1.00 0.00 H new ATOM 0 HG2 MET A 0 13.941 1.272 0.877 1.00 0.00 H new ATOM 0 HG3 MET A 0 13.660 2.870 0.216 1.00 0.00 H new ATOM 0 HE1 MET A 0 15.394 2.748 -3.298 1.00 0.00 H new ATOM 0 HE2 MET A 0 14.443 3.709 -2.141 1.00 0.00 H new ATOM 0 HE3 MET A 0 16.155 3.355 -1.808 1.00 0.00 H new ATOM 18 N GLY A 1 15.357 0.573 3.150 1.00 0.00 N ATOM 19 CA GLY A 1 15.114 -0.565 4.032 1.00 0.00 C ATOM 20 C GLY A 1 13.645 -0.988 4.114 1.00 0.00 C ATOM 21 O GLY A 1 13.371 -2.164 4.351 1.00 0.00 O ATOM 0 H GLY A 1 15.839 0.323 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.706 -1.412 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.466 -0.317 5.033 1.00 0.00 H new ATOM 25 N LYS A 2 12.687 -0.080 3.907 1.00 0.00 N ATOM 26 CA LYS A 2 11.263 -0.366 3.944 1.00 0.00 C ATOM 27 C LYS A 2 10.729 -0.429 2.523 1.00 0.00 C ATOM 28 O LYS A 2 11.360 0.065 1.585 1.00 0.00 O ATOM 29 CB LYS A 2 10.530 0.739 4.721 1.00 0.00 C ATOM 30 CG LYS A 2 10.687 0.653 6.248 1.00 0.00 C ATOM 31 CD LYS A 2 11.977 1.253 6.820 1.00 0.00 C ATOM 32 CE LYS A 2 11.965 2.770 6.643 1.00 0.00 C ATOM 33 NZ LYS A 2 13.292 3.388 6.787 1.00 0.00 N ATOM 0 H LYS A 2 12.893 0.898 3.704 1.00 0.00 H new ATOM 0 HA LYS A 2 11.097 -1.322 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.898 1.708 4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.469 0.697 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.838 1.156 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.635 -0.395 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.068 1.002 7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.843 0.826 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.566 3.010 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.287 3.208 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.194 4.321 7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.896 2.781 7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.726 3.500 5.849 1.00 0.00 H new ATOM 47 N ASP A 3 9.519 -0.951 2.385 1.00 0.00 N ATOM 48 CA ASP A 3 8.720 -0.852 1.183 1.00 0.00 C ATOM 49 C ASP A 3 7.240 -0.759 1.575 1.00 0.00 C ATOM 50 O ASP A 3 6.858 -1.155 2.676 1.00 0.00 O ATOM 51 CB ASP A 3 9.001 -2.058 0.282 1.00 0.00 C ATOM 52 CG ASP A 3 7.922 -2.114 -0.779 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.822 -1.151 -1.581 1.00 0.00 O ATOM 54 OD2 ASP A 3 7.047 -2.982 -0.656 1.00 0.00 O ATOM 0 H ASP A 3 9.057 -1.470 3.132 1.00 0.00 H new ATOM 0 HA ASP A 3 8.979 0.045 0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.984 -1.967 -0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.007 -2.977 0.868 1.00 0.00 H new ATOM 59 N TYR A 4 6.414 -0.201 0.686 1.00 0.00 N ATOM 60 CA TYR A 4 4.969 -0.069 0.819 1.00 0.00 C ATOM 61 C TYR A 4 4.263 -0.818 -0.336 1.00 0.00 C ATOM 62 O TYR A 4 3.174 -1.341 -0.125 1.00 0.00 O ATOM 63 CB TYR A 4 4.583 1.428 0.890 1.00 0.00 C ATOM 64 CG TYR A 4 4.808 2.154 2.226 1.00 0.00 C ATOM 65 CD1 TYR A 4 6.027 2.084 2.936 1.00 0.00 C ATOM 66 CD2 TYR A 4 3.780 2.951 2.769 1.00 0.00 C ATOM 67 CE1 TYR A 4 6.190 2.736 4.171 1.00 0.00 C ATOM 68 CE2 TYR A 4 3.931 3.617 3.998 1.00 0.00 C ATOM 69 CZ TYR A 4 5.133 3.494 4.721 1.00 0.00 C ATOM 70 OH TYR A 4 5.270 4.096 5.935 1.00 0.00 O ATOM 0 H TYR A 4 6.758 0.190 -0.191 1.00 0.00 H new ATOM 0 HA TYR A 4 4.634 -0.530 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.144 1.957 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.528 1.516 0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 4 6.849 1.519 2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.852 3.053 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.128 2.657 4.701 1.00 0.00 H new ATOM 0 HE2 TYR A 4 3.126 4.222 4.387 1.00 0.00 H new ATOM 0 HH TYR A 4 4.445 4.576 6.157 1.00 0.00 H new ATOM 80 N TYR A 5 4.853 -0.929 -1.538 1.00 0.00 N ATOM 81 CA TYR A 5 4.231 -1.557 -2.708 1.00 0.00 C ATOM 82 C TYR A 5 4.059 -3.059 -2.503 1.00 0.00 C ATOM 83 O TYR A 5 2.949 -3.588 -2.529 1.00 0.00 O ATOM 84 CB TYR A 5 5.084 -1.302 -3.965 1.00 0.00 C ATOM 85 CG TYR A 5 4.868 0.033 -4.652 1.00 0.00 C ATOM 86 CD1 TYR A 5 5.475 1.196 -4.144 1.00 0.00 C ATOM 87 CD2 TYR A 5 4.085 0.105 -5.822 1.00 0.00 C ATOM 88 CE1 TYR A 5 5.319 2.425 -4.811 1.00 0.00 C ATOM 89 CE2 TYR A 5 3.921 1.332 -6.491 1.00 0.00 C ATOM 90 CZ TYR A 5 4.555 2.492 -5.997 1.00 0.00 C ATOM 91 OH TYR A 5 4.450 3.663 -6.684 1.00 0.00 O ATOM 0 H TYR A 5 5.792 -0.577 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 5 3.245 -1.112 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.136 -1.381 -3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.883 -2.096 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.063 1.145 -3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.609 -0.785 -6.206 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.783 3.317 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.311 1.386 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 5 4.334 3.473 -7.638 1.00 0.00 H new ATOM 101 N GLN A 6 5.166 -3.762 -2.329 1.00 0.00 N ATOM 102 CA GLN A 6 5.263 -5.197 -2.162 1.00 0.00 C ATOM 103 C GLN A 6 4.805 -5.606 -0.760 1.00 0.00 C ATOM 104 O GLN A 6 4.331 -6.726 -0.584 1.00 0.00 O ATOM 105 CB GLN A 6 6.720 -5.593 -2.444 1.00 0.00 C ATOM 106 CG GLN A 6 6.891 -7.014 -2.988 1.00 0.00 C ATOM 107 CD GLN A 6 8.343 -7.288 -3.388 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.611 -7.792 -4.474 1.00 0.00 O ATOM 109 NE2 GLN A 6 9.314 -6.974 -2.544 1.00 0.00 N ATOM 0 H GLN A 6 6.081 -3.312 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 6 4.607 -5.722 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.144 -4.889 -3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.295 -5.497 -1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.578 -7.735 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.241 -7.155 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.090 -6.555 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.286 -7.151 -2.796 1.00 0.00 H new ATOM 118 N THR A 7 4.819 -4.684 0.205 1.00 0.00 N ATOM 119 CA THR A 7 4.078 -4.809 1.460 1.00 0.00 C ATOM 120 C THR A 7 2.573 -4.982 1.211 1.00 0.00 C ATOM 121 O THR A 7 1.893 -5.687 1.962 1.00 0.00 O ATOM 122 CB THR A 7 4.435 -3.604 2.347 1.00 0.00 C ATOM 123 OG1 THR A 7 5.841 -3.620 2.519 1.00 0.00 O ATOM 124 CG2 THR A 7 3.775 -3.624 3.726 1.00 0.00 C ATOM 0 H THR A 7 5.353 -3.818 0.135 1.00 0.00 H new ATOM 0 HA THR A 7 4.368 -5.715 1.992 1.00 0.00 H new ATOM 0 HB THR A 7 4.069 -2.705 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.134 -2.765 2.898 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.079 -2.740 4.287 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.691 -3.626 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.084 -4.520 4.264 1.00 0.00 H new ATOM 132 N LEU A 8 2.065 -4.488 0.086 1.00 0.00 N ATOM 133 CA LEU A 8 0.703 -4.684 -0.401 1.00 0.00 C ATOM 134 C LEU A 8 0.687 -5.638 -1.614 1.00 0.00 C ATOM 135 O LEU A 8 -0.301 -5.733 -2.342 1.00 0.00 O ATOM 136 CB LEU A 8 0.088 -3.301 -0.666 1.00 0.00 C ATOM 137 CG LEU A 8 -1.451 -3.335 -0.732 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.103 -2.399 0.292 1.00 0.00 C ATOM 139 CD2 LEU A 8 -1.952 -2.964 -2.125 1.00 0.00 C ATOM 0 H LEU A 8 2.621 -3.910 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 8 0.080 -5.180 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.398 -2.614 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.479 -2.908 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.738 -4.360 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.188 -2.461 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.804 -2.695 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.782 -1.374 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.041 -2.997 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.616 -1.958 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.557 -3.672 -2.854 1.00 0.00 H new ATOM 151 N GLY A 9 1.778 -6.376 -1.840 1.00 0.00 N ATOM 152 CA GLY A 9 1.882 -7.428 -2.837 1.00 0.00 C ATOM 153 C GLY A 9 1.942 -6.896 -4.267 1.00 0.00 C ATOM 154 O GLY A 9 1.451 -7.570 -5.177 1.00 0.00 O ATOM 0 H GLY A 9 2.640 -6.247 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.775 -8.021 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.027 -8.097 -2.741 1.00 0.00 H new ATOM 158 N LEU A 10 2.496 -5.705 -4.498 1.00 0.00 N ATOM 159 CA LEU A 10 2.697 -5.107 -5.821 1.00 0.00 C ATOM 160 C LEU A 10 4.191 -4.978 -6.090 1.00 0.00 C ATOM 161 O LEU A 10 4.966 -4.766 -5.162 1.00 0.00 O ATOM 162 CB LEU A 10 2.079 -3.706 -5.853 1.00 0.00 C ATOM 163 CG LEU A 10 0.543 -3.732 -5.786 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.069 -2.511 -5.007 1.00 0.00 C ATOM 165 CD2 LEU A 10 -0.056 -3.756 -7.193 1.00 0.00 C ATOM 0 H LEU A 10 2.830 -5.107 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 10 2.227 -5.739 -6.574 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.465 -3.124 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.390 -3.197 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 10 0.209 -4.636 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.020 -2.515 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.484 -2.538 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.403 -1.605 -5.513 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.144 -3.774 -7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.259 -2.866 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.290 -4.645 -7.720 1.00 0.00 H new ATOM 177 N ALA A 11 4.602 -5.047 -7.352 1.00 0.00 N ATOM 178 CA ALA A 11 5.952 -4.656 -7.718 1.00 0.00 C ATOM 179 C ALA A 11 6.072 -3.139 -7.690 1.00 0.00 C ATOM 180 O ALA A 11 5.100 -2.423 -7.967 1.00 0.00 O ATOM 181 CB ALA A 11 6.277 -5.120 -9.135 1.00 0.00 C ATOM 0 H ALA A 11 4.024 -5.367 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 11 6.641 -5.113 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.292 -4.819 -9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.196 -6.206 -9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.575 -4.668 -9.836 1.00 0.00 H new ATOM 187 N ARG A 12 7.303 -2.658 -7.509 1.00 0.00 N ATOM 188 CA ARG A 12 7.643 -1.300 -7.899 1.00 0.00 C ATOM 189 C ARG A 12 7.335 -1.153 -9.384 1.00 0.00 C ATOM 190 O ARG A 12 7.753 -1.974 -10.202 1.00 0.00 O ATOM 191 CB ARG A 12 9.114 -0.950 -7.618 1.00 0.00 C ATOM 192 CG ARG A 12 9.352 -0.439 -6.193 1.00 0.00 C ATOM 193 CD ARG A 12 9.473 -1.561 -5.152 1.00 0.00 C ATOM 194 NE ARG A 12 9.505 -1.031 -3.780 1.00 0.00 N ATOM 195 CZ ARG A 12 10.372 -0.170 -3.234 1.00 0.00 C ATOM 196 NH1 ARG A 12 11.483 0.202 -3.848 1.00 0.00 N ATOM 197 NH2 ARG A 12 10.085 0.331 -2.043 1.00 0.00 N ATOM 0 H ARG A 12 8.071 -3.188 -7.098 1.00 0.00 H new ATOM 0 HA ARG A 12 7.051 -0.605 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.730 -1.833 -7.788 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.442 -0.191 -8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.263 0.160 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.532 0.221 -5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.632 -2.247 -5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.379 -2.136 -5.341 1.00 0.00 H new ATOM 0 HE ARG A 12 8.766 -1.365 -3.161 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.704 -0.170 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.118 0.861 -3.398 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.224 0.058 -1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.725 0.990 -1.599 1.00 0.00 H new ATOM 211 N GLY A 13 6.578 -0.122 -9.715 1.00 0.00 N ATOM 212 CA GLY A 13 6.216 0.268 -11.069 1.00 0.00 C ATOM 213 C GLY A 13 4.766 -0.055 -11.417 1.00 0.00 C ATOM 214 O GLY A 13 4.412 0.039 -12.592 1.00 0.00 O ATOM 0 H GLY A 13 6.178 0.499 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.383 1.338 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 13 6.874 -0.238 -11.775 1.00 0.00 H new ATOM 218 N ALA A 14 3.936 -0.438 -10.441 1.00 0.00 N ATOM 219 CA ALA A 14 2.534 -0.789 -10.644 1.00 0.00 C ATOM 220 C ALA A 14 1.741 0.353 -11.291 1.00 0.00 C ATOM 221 O ALA A 14 2.087 1.532 -11.130 1.00 0.00 O ATOM 222 CB ALA A 14 1.936 -1.149 -9.283 1.00 0.00 C ATOM 0 H ALA A 14 4.231 -0.513 -9.467 1.00 0.00 H new ATOM 0 HA ALA A 14 2.475 -1.635 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.886 -1.416 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.478 -1.994 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.017 -0.294 -8.612 1.00 0.00 H new ATOM 228 N SER A 15 0.636 0.010 -11.954 1.00 0.00 N ATOM 229 CA SER A 15 -0.328 0.995 -12.428 1.00 0.00 C ATOM 230 C SER A 15 -1.447 1.144 -11.419 1.00 0.00 C ATOM 231 O SER A 15 -1.682 0.260 -10.601 1.00 0.00 O ATOM 232 CB SER A 15 -0.848 0.638 -13.826 1.00 0.00 C ATOM 233 OG SER A 15 -1.596 -0.565 -13.861 1.00 0.00 O ATOM 0 H SER A 15 0.388 -0.954 -12.175 1.00 0.00 H new ATOM 0 HA SER A 15 0.169 1.961 -12.523 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.470 1.454 -14.193 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.002 0.551 -14.508 1.00 0.00 H new ATOM 0 HG SER A 15 -1.899 -0.735 -14.777 1.00 0.00 H new ATOM 239 N ASP A 16 -2.172 2.252 -11.499 1.00 0.00 N ATOM 240 CA ASP A 16 -3.253 2.573 -10.580 1.00 0.00 C ATOM 241 C ASP A 16 -4.398 1.561 -10.679 1.00 0.00 C ATOM 242 O ASP A 16 -5.098 1.312 -9.699 1.00 0.00 O ATOM 243 CB ASP A 16 -3.733 4.019 -10.765 1.00 0.00 C ATOM 244 CG ASP A 16 -2.661 5.037 -10.359 1.00 0.00 C ATOM 245 OD1 ASP A 16 -1.840 4.761 -9.458 1.00 0.00 O ATOM 246 OD2 ASP A 16 -2.584 6.115 -10.991 1.00 0.00 O ATOM 0 H ASP A 16 -2.022 2.963 -12.215 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.859 2.498 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.008 4.179 -11.807 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.631 4.182 -10.169 1.00 0.00 H new ATOM 251 N GLU A 17 -4.533 0.884 -11.823 1.00 0.00 N ATOM 252 CA GLU A 17 -5.460 -0.226 -12.022 1.00 0.00 C ATOM 253 C GLU A 17 -5.069 -1.408 -11.130 1.00 0.00 C ATOM 254 O GLU A 17 -5.914 -2.176 -10.660 1.00 0.00 O ATOM 255 CB GLU A 17 -5.370 -0.664 -13.492 1.00 0.00 C ATOM 256 CG GLU A 17 -6.511 -1.586 -13.940 1.00 0.00 C ATOM 257 CD GLU A 17 -7.776 -0.772 -14.194 1.00 0.00 C ATOM 258 OE1 GLU A 17 -7.871 -0.156 -15.279 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.621 -0.681 -13.275 1.00 0.00 O ATOM 0 H GLU A 17 -3.985 1.101 -12.656 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.472 0.090 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.364 0.223 -14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.420 -1.175 -13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.224 -2.118 -14.847 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.702 -2.339 -13.175 1.00 0.00 H new ATOM 266 N GLU A 18 -3.766 -1.574 -10.927 1.00 0.00 N ATOM 267 CA GLU A 18 -3.155 -2.615 -10.145 1.00 0.00 C ATOM 268 C GLU A 18 -3.256 -2.243 -8.684 1.00 0.00 C ATOM 269 O GLU A 18 -3.579 -3.109 -7.879 1.00 0.00 O ATOM 270 CB GLU A 18 -1.689 -2.775 -10.547 1.00 0.00 C ATOM 271 CG GLU A 18 -1.368 -4.266 -10.500 1.00 0.00 C ATOM 272 CD GLU A 18 0.111 -4.601 -10.627 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.893 -3.784 -11.153 1.00 0.00 O ATOM 274 OE2 GLU A 18 0.464 -5.748 -10.256 1.00 0.00 O ATOM 0 H GLU A 18 -3.077 -0.941 -11.333 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.666 -3.562 -10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.519 -2.376 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.041 -2.220 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.740 -4.675 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.910 -4.766 -11.302 1.00 0.00 H new ATOM 281 N ILE A 19 -3.049 -0.960 -8.367 1.00 0.00 N ATOM 282 CA ILE A 19 -3.260 -0.440 -7.030 1.00 0.00 C ATOM 283 C ILE A 19 -4.689 -0.805 -6.624 1.00 0.00 C ATOM 284 O ILE A 19 -4.898 -1.602 -5.716 1.00 0.00 O ATOM 285 CB ILE A 19 -3.004 1.085 -6.920 1.00 0.00 C ATOM 286 CG1 ILE A 19 -1.639 1.593 -7.440 1.00 0.00 C ATOM 287 CG2 ILE A 19 -3.232 1.539 -5.470 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.367 1.034 -6.819 1.00 0.00 C ATOM 0 H ILE A 19 -2.730 -0.260 -9.037 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.536 -0.889 -6.350 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.725 1.540 -7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.599 1.395 -8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.620 2.676 -7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.052 2.611 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.259 1.321 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.547 1.007 -4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.501 1.491 -7.294 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.356 1.255 -5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.334 -0.046 -6.966 1.00 0.00 H new ATOM 300 N LYS A 20 -5.683 -0.262 -7.328 1.00 0.00 N ATOM 301 CA LYS A 20 -7.102 -0.389 -6.994 1.00 0.00 C ATOM 302 C LYS A 20 -7.538 -1.852 -6.886 1.00 0.00 C ATOM 303 O LYS A 20 -8.329 -2.185 -6.003 1.00 0.00 O ATOM 304 CB LYS A 20 -7.902 0.371 -8.059 1.00 0.00 C ATOM 305 CG LYS A 20 -7.770 1.893 -7.900 1.00 0.00 C ATOM 306 CD LYS A 20 -8.106 2.678 -9.175 1.00 0.00 C ATOM 307 CE LYS A 20 -9.533 2.452 -9.686 1.00 0.00 C ATOM 308 NZ LYS A 20 -9.615 1.440 -10.763 1.00 0.00 N ATOM 0 H LYS A 20 -5.519 0.293 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.290 0.042 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.555 0.079 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.953 0.089 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.428 2.224 -7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.751 2.131 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.964 3.741 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.402 2.398 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.164 2.139 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.934 3.397 -10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.605 1.334 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.037 1.746 -11.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.261 0.528 -10.410 1.00 0.00 H new ATOM 322 N ARG A 21 -7.015 -2.726 -7.751 1.00 0.00 N ATOM 323 CA ARG A 21 -7.170 -4.178 -7.678 1.00 0.00 C ATOM 324 C ARG A 21 -6.624 -4.684 -6.342 1.00 0.00 C ATOM 325 O ARG A 21 -7.369 -5.227 -5.526 1.00 0.00 O ATOM 326 CB ARG A 21 -6.420 -4.785 -8.879 1.00 0.00 C ATOM 327 CG ARG A 21 -6.270 -6.316 -8.902 1.00 0.00 C ATOM 328 CD ARG A 21 -5.060 -6.745 -9.750 1.00 0.00 C ATOM 329 NE ARG A 21 -5.358 -6.974 -11.174 1.00 0.00 N ATOM 330 CZ ARG A 21 -5.160 -6.127 -12.191 1.00 0.00 C ATOM 331 NH1 ARG A 21 -5.114 -4.807 -12.040 1.00 0.00 N ATOM 332 NH2 ARG A 21 -4.998 -6.628 -13.405 1.00 0.00 N ATOM 0 H ARG A 21 -6.453 -2.429 -8.549 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.218 -4.474 -7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.935 -4.481 -9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.423 -4.346 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.154 -6.688 -7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.177 -6.767 -9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.289 -5.978 -9.673 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.644 -7.660 -9.328 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.761 -7.880 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.232 -4.395 -11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.960 -4.206 -12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.026 -7.638 -13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.845 -6.005 -14.198 1.00 0.00 H new ATOM 346 N ALA A 22 -5.309 -4.565 -6.176 1.00 0.00 N ATOM 347 CA ALA A 22 -4.534 -5.134 -5.084 1.00 0.00 C ATOM 348 C ALA A 22 -5.085 -4.684 -3.738 1.00 0.00 C ATOM 349 O ALA A 22 -5.442 -5.527 -2.923 1.00 0.00 O ATOM 350 CB ALA A 22 -3.062 -4.754 -5.233 1.00 0.00 C ATOM 0 H ALA A 22 -4.730 -4.043 -6.833 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.614 -6.220 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.490 -5.184 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.681 -5.137 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.963 -3.669 -5.215 1.00 0.00 H new ATOM 356 N TYR A 23 -5.182 -3.375 -3.510 1.00 0.00 N ATOM 357 CA TYR A 23 -5.698 -2.750 -2.309 1.00 0.00 C ATOM 358 C TYR A 23 -7.077 -3.280 -1.932 1.00 0.00 C ATOM 359 O TYR A 23 -7.270 -3.656 -0.777 1.00 0.00 O ATOM 360 CB TYR A 23 -5.472 -1.231 -2.487 1.00 0.00 C ATOM 361 CG TYR A 23 -6.577 -0.253 -2.198 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.737 -0.323 -2.993 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.350 0.877 -1.392 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.720 0.666 -2.909 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.314 1.895 -1.328 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.501 1.778 -2.080 1.00 0.00 C ATOM 367 OH TYR A 23 -9.433 2.766 -2.061 1.00 0.00 O ATOM 0 H TYR A 23 -4.883 -2.689 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.170 -3.017 -1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.627 -0.956 -1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.164 -1.071 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.868 -1.150 -3.675 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.436 0.961 -0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.636 0.577 -3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.148 2.763 -0.707 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.150 3.471 -1.442 1.00 0.00 H new ATOM 377 N ARG A 24 -7.994 -3.466 -2.886 1.00 0.00 N ATOM 378 CA ARG A 24 -9.308 -4.014 -2.559 1.00 0.00 C ATOM 379 C ARG A 24 -9.194 -5.412 -1.973 1.00 0.00 C ATOM 380 O ARG A 24 -9.791 -5.678 -0.927 1.00 0.00 O ATOM 381 CB ARG A 24 -10.257 -3.944 -3.768 1.00 0.00 C ATOM 382 CG ARG A 24 -10.911 -2.559 -3.777 1.00 0.00 C ATOM 383 CD ARG A 24 -11.980 -2.375 -4.855 1.00 0.00 C ATOM 384 NE ARG A 24 -12.855 -1.256 -4.473 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.566 0.049 -4.542 1.00 0.00 C ATOM 386 NH1 ARG A 24 -11.557 0.479 -5.301 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.274 0.910 -3.825 1.00 0.00 N ATOM 0 H ARG A 24 -7.853 -3.249 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.753 -3.393 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.707 -4.112 -4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.016 -4.723 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.361 -2.376 -2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.136 -1.805 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.512 -2.176 -5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.564 -3.289 -4.967 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.780 -1.500 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.999 -0.188 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.343 1.475 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.031 0.576 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.062 1.907 -3.870 1.00 0.00 H new ATOM 401 N ARG A 25 -8.429 -6.309 -2.604 1.00 0.00 N ATOM 402 CA ARG A 25 -8.302 -7.663 -2.072 1.00 0.00 C ATOM 403 C ARG A 25 -7.492 -7.671 -0.776 1.00 0.00 C ATOM 404 O ARG A 25 -7.855 -8.390 0.150 1.00 0.00 O ATOM 405 CB ARG A 25 -7.697 -8.613 -3.119 1.00 0.00 C ATOM 406 CG ARG A 25 -8.094 -10.071 -2.824 1.00 0.00 C ATOM 407 CD ARG A 25 -9.530 -10.395 -3.277 1.00 0.00 C ATOM 408 NE ARG A 25 -9.597 -10.634 -4.730 1.00 0.00 N ATOM 409 CZ ARG A 25 -9.205 -11.760 -5.344 1.00 0.00 C ATOM 410 NH1 ARG A 25 -8.835 -12.836 -4.660 1.00 0.00 N ATOM 411 NH2 ARG A 25 -9.161 -11.822 -6.670 1.00 0.00 N ATOM 0 H ARG A 25 -7.903 -6.127 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.302 -8.027 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.041 -8.332 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.611 -8.519 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.398 -10.742 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.003 -10.260 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.890 -11.276 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.191 -9.570 -3.012 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.970 -9.885 -5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.844 -12.820 -3.640 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.542 -13.679 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.426 -11.010 -7.228 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.862 -12.681 -7.131 1.00 0.00 H new ATOM 425 N GLN A 26 -6.409 -6.898 -0.700 1.00 0.00 N ATOM 426 CA GLN A 26 -5.498 -6.863 0.436 1.00 0.00 C ATOM 427 C GLN A 26 -6.173 -6.308 1.681 1.00 0.00 C ATOM 428 O GLN A 26 -5.891 -6.822 2.762 1.00 0.00 O ATOM 429 CB GLN A 26 -4.248 -6.046 0.070 1.00 0.00 C ATOM 430 CG GLN A 26 -3.228 -6.905 -0.700 1.00 0.00 C ATOM 431 CD GLN A 26 -2.243 -7.682 0.187 1.00 0.00 C ATOM 432 OE1 GLN A 26 -1.095 -7.893 -0.188 1.00 0.00 O ATOM 433 NE2 GLN A 26 -2.628 -8.143 1.370 1.00 0.00 N ATOM 0 H GLN A 26 -6.137 -6.262 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.198 -7.885 0.670 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.536 -5.187 -0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.787 -5.655 0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.770 -7.614 -1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.661 -6.258 -1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.580 -7.976 1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.972 -8.664 1.952 1.00 0.00 H new ATOM 442 N ALA A 27 -7.076 -5.331 1.540 1.00 0.00 N ATOM 443 CA ALA A 27 -7.999 -4.974 2.602 1.00 0.00 C ATOM 444 C ALA A 27 -8.813 -6.205 2.950 1.00 0.00 C ATOM 445 O ALA A 27 -8.652 -6.741 4.038 1.00 0.00 O ATOM 446 CB ALA A 27 -8.915 -3.821 2.194 1.00 0.00 C ATOM 0 H ALA A 27 -7.180 -4.775 0.691 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.435 -4.632 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.590 -3.584 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.312 -2.944 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.496 -4.110 1.319 1.00 0.00 H new ATOM 452 N LEU A 28 -9.656 -6.684 2.030 1.00 0.00 N ATOM 453 CA LEU A 28 -10.637 -7.740 2.295 1.00 0.00 C ATOM 454 C LEU A 28 -10.019 -9.032 2.861 1.00 0.00 C ATOM 455 O LEU A 28 -10.737 -9.896 3.361 1.00 0.00 O ATOM 456 CB LEU A 28 -11.413 -8.019 0.996 1.00 0.00 C ATOM 457 CG LEU A 28 -12.823 -8.605 1.204 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.783 -7.545 1.768 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.370 -9.113 -0.134 1.00 0.00 C ATOM 0 H LEU A 28 -9.676 -6.345 1.068 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.309 -7.384 3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.500 -7.090 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.834 -8.710 0.383 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.749 -9.426 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.771 -7.985 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.408 -7.188 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.852 -6.709 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.367 -9.527 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.422 -8.287 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.710 -9.887 -0.526 1.00 0.00 H new ATOM 471 N ARG A 29 -8.699 -9.205 2.758 1.00 0.00 N ATOM 472 CA ARG A 29 -7.947 -10.283 3.377 1.00 0.00 C ATOM 473 C ARG A 29 -7.921 -10.174 4.908 1.00 0.00 C ATOM 474 O ARG A 29 -8.119 -11.198 5.560 1.00 0.00 O ATOM 475 CB ARG A 29 -6.534 -10.307 2.771 1.00 0.00 C ATOM 476 CG ARG A 29 -5.948 -11.711 2.922 1.00 0.00 C ATOM 477 CD ARG A 29 -4.456 -11.783 2.614 1.00 0.00 C ATOM 478 NE ARG A 29 -4.090 -11.434 1.232 1.00 0.00 N ATOM 479 CZ ARG A 29 -2.826 -11.393 0.792 1.00 0.00 C ATOM 480 NH1 ARG A 29 -1.817 -11.636 1.621 1.00 0.00 N ATOM 481 NH2 ARG A 29 -2.595 -11.110 -0.480 1.00 0.00 N ATOM 0 H ARG A 29 -8.109 -8.571 2.220 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.444 -11.230 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.572 -10.027 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.897 -9.578 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.118 -12.060 3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.481 -12.392 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.927 -11.115 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.105 -12.794 2.823 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.838 -11.212 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.003 -11.856 2.600 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.857 -11.603 1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.375 -10.927 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.637 -11.075 -0.829 1.00 0.00 H new ATOM 495 N TYR A 30 -7.699 -8.989 5.489 1.00 0.00 N ATOM 496 CA TYR A 30 -7.500 -8.809 6.936 1.00 0.00 C ATOM 497 C TYR A 30 -8.311 -7.647 7.538 1.00 0.00 C ATOM 498 O TYR A 30 -8.158 -7.340 8.716 1.00 0.00 O ATOM 499 CB TYR A 30 -6.017 -8.542 7.254 1.00 0.00 C ATOM 500 CG TYR A 30 -4.939 -9.221 6.425 1.00 0.00 C ATOM 501 CD1 TYR A 30 -4.678 -10.597 6.557 1.00 0.00 C ATOM 502 CD2 TYR A 30 -4.098 -8.432 5.617 1.00 0.00 C ATOM 503 CE1 TYR A 30 -3.549 -11.169 5.942 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.971 -8.993 4.996 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.680 -10.365 5.172 1.00 0.00 C ATOM 506 OH TYR A 30 -1.623 -10.932 4.524 1.00 0.00 O ATOM 0 H TYR A 30 -7.652 -8.116 4.963 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.848 -9.741 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.856 -7.466 7.181 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.851 -8.819 8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -5.348 -11.218 7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.322 -7.385 5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.347 -12.223 6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.327 -8.378 4.385 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.127 -10.240 4.039 1.00 0.00 H new ATOM 516 N HIS A 31 -9.101 -6.939 6.735 1.00 0.00 N ATOM 517 CA HIS A 31 -9.855 -5.749 7.111 1.00 0.00 C ATOM 518 C HIS A 31 -10.786 -6.092 8.281 1.00 0.00 C ATOM 519 O HIS A 31 -11.484 -7.108 8.212 1.00 0.00 O ATOM 520 CB HIS A 31 -10.586 -5.272 5.846 1.00 0.00 C ATOM 521 CG HIS A 31 -11.578 -4.154 5.976 1.00 0.00 C ATOM 522 ND1 HIS A 31 -11.308 -2.812 5.832 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.934 -4.310 5.957 1.00 0.00 C ATOM 524 CE1 HIS A 31 -12.486 -2.167 5.775 1.00 0.00 C ATOM 525 NE2 HIS A 31 -13.505 -3.041 5.834 1.00 0.00 N ATOM 0 H HIS A 31 -9.239 -7.193 5.757 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.224 -4.935 7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.831 -4.964 5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.106 -6.130 5.419 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.469 -5.246 6.025 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.598 -1.096 5.693 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -14.500 -2.821 5.796 1.00 0.00 H new ATOM 533 N PRO A 32 -10.831 -5.273 9.347 1.00 0.00 N ATOM 534 CA PRO A 32 -11.452 -5.646 10.614 1.00 0.00 C ATOM 535 C PRO A 32 -12.963 -5.809 10.490 1.00 0.00 C ATOM 536 O PRO A 32 -13.563 -6.525 11.289 1.00 0.00 O ATOM 537 CB PRO A 32 -11.098 -4.531 11.604 1.00 0.00 C ATOM 538 CG PRO A 32 -10.823 -3.326 10.705 1.00 0.00 C ATOM 539 CD PRO A 32 -10.218 -3.963 9.460 1.00 0.00 C ATOM 0 HA PRO A 32 -11.082 -6.615 10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.916 -4.336 12.297 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.226 -4.790 12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.736 -2.777 10.475 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.136 -2.621 11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.420 -3.360 8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.135 -4.045 9.550 1.00 0.00 H new ATOM 547 N ASP A 33 -13.580 -5.208 9.469 1.00 0.00 N ATOM 548 CA ASP A 33 -15.005 -5.350 9.203 1.00 0.00 C ATOM 549 C ASP A 33 -15.298 -6.628 8.401 1.00 0.00 C ATOM 550 O ASP A 33 -16.430 -6.836 7.963 1.00 0.00 O ATOM 551 CB ASP A 33 -15.505 -4.113 8.444 1.00 0.00 C ATOM 552 CG ASP A 33 -17.022 -4.075 8.324 1.00 0.00 C ATOM 553 OD1 ASP A 33 -17.685 -4.133 9.382 1.00 0.00 O ATOM 554 OD2 ASP A 33 -17.541 -4.005 7.182 1.00 0.00 O ATOM 0 H ASP A 33 -13.097 -4.606 8.802 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.532 -5.432 10.154 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.162 -3.214 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.065 -4.100 7.447 1.00 0.00 H new ATOM 559 N LYS A 34 -14.298 -7.491 8.150 1.00 0.00 N ATOM 560 CA LYS A 34 -14.515 -8.699 7.356 1.00 0.00 C ATOM 561 C LYS A 34 -13.753 -9.897 7.922 1.00 0.00 C ATOM 562 O LYS A 34 -14.262 -11.014 7.782 1.00 0.00 O ATOM 563 CB LYS A 34 -14.106 -8.419 5.891 1.00 0.00 C ATOM 564 CG LYS A 34 -13.973 -9.643 4.960 1.00 0.00 C ATOM 565 CD LYS A 34 -15.303 -10.066 4.300 1.00 0.00 C ATOM 566 CE LYS A 34 -16.564 -10.083 5.185 1.00 0.00 C ATOM 567 NZ LYS A 34 -16.574 -11.143 6.218 1.00 0.00 N ATOM 0 H LYS A 34 -13.342 -7.371 8.485 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.573 -8.959 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.840 -7.740 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.151 -7.893 5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.246 -9.418 4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.578 -10.483 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.490 -9.396 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.170 -11.065 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.662 -9.114 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.439 -10.207 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.324 -10.945 6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.752 -12.064 5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.653 -11.166 6.701 1.00 0.00 H new ATOM 581 N ASN A 35 -12.537 -9.750 8.450 1.00 0.00 N ATOM 582 CA ASN A 35 -11.699 -10.873 8.849 1.00 0.00 C ATOM 583 C ASN A 35 -10.711 -10.402 9.899 1.00 0.00 C ATOM 584 O ASN A 35 -9.744 -9.725 9.562 1.00 0.00 O ATOM 585 CB ASN A 35 -10.906 -11.451 7.661 1.00 0.00 C ATOM 586 CG ASN A 35 -10.193 -12.740 8.042 1.00 0.00 C ATOM 587 OD1 ASN A 35 -10.591 -13.447 8.959 1.00 0.00 O ATOM 588 ND2 ASN A 35 -9.168 -13.116 7.302 1.00 0.00 N ATOM 0 H ASN A 35 -12.106 -8.840 8.612 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.352 -11.654 9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.583 -11.641 6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.176 -10.718 7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.700 -14.002 7.492 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.843 -12.521 6.540 1.00 0.00 H new ATOM 595 N LYS A 36 -10.928 -10.773 11.156 1.00 0.00 N ATOM 596 CA LYS A 36 -10.005 -10.440 12.235 1.00 0.00 C ATOM 597 C LYS A 36 -8.900 -11.499 12.218 1.00 0.00 C ATOM 598 O LYS A 36 -8.863 -12.378 13.082 1.00 0.00 O ATOM 599 CB LYS A 36 -10.709 -10.370 13.597 1.00 0.00 C ATOM 600 CG LYS A 36 -11.812 -9.314 13.777 1.00 0.00 C ATOM 601 CD LYS A 36 -13.089 -9.587 12.964 1.00 0.00 C ATOM 602 CE LYS A 36 -14.354 -8.991 13.586 1.00 0.00 C ATOM 603 NZ LYS A 36 -14.284 -7.530 13.775 1.00 0.00 N ATOM 0 H LYS A 36 -11.743 -11.309 11.455 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.585 -9.446 12.080 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.145 -11.348 13.800 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.949 -10.195 14.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.074 -9.255 14.834 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.416 -8.339 13.492 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.963 -9.182 11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.219 -10.664 12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.208 -9.227 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.534 -9.466 14.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.165 -7.194 14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.479 -7.298 14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.159 -7.066 12.853 1.00 0.00 H new ATOM 617 N GLU A 37 -8.096 -11.517 11.156 1.00 0.00 N ATOM 618 CA GLU A 37 -7.212 -12.633 10.845 1.00 0.00 C ATOM 619 C GLU A 37 -6.107 -12.712 11.925 1.00 0.00 C ATOM 620 O GLU A 37 -5.421 -11.713 12.158 1.00 0.00 O ATOM 621 CB GLU A 37 -6.681 -12.485 9.412 1.00 0.00 C ATOM 622 CG GLU A 37 -6.383 -13.824 8.718 1.00 0.00 C ATOM 623 CD GLU A 37 -4.899 -14.186 8.668 1.00 0.00 C ATOM 624 OE1 GLU A 37 -4.344 -14.629 9.692 1.00 0.00 O ATOM 625 OE2 GLU A 37 -4.317 -14.107 7.558 1.00 0.00 O ATOM 0 H GLU A 37 -8.041 -10.751 10.484 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.744 -13.584 10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.411 -11.934 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.770 -11.887 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.922 -14.617 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.771 -13.787 7.700 1.00 0.00 H new ATOM 632 N PRO A 38 -5.975 -13.826 12.664 1.00 0.00 N ATOM 633 CA PRO A 38 -5.167 -13.880 13.878 1.00 0.00 C ATOM 634 C PRO A 38 -3.675 -13.766 13.569 1.00 0.00 C ATOM 635 O PRO A 38 -3.102 -14.594 12.864 1.00 0.00 O ATOM 636 CB PRO A 38 -5.519 -15.202 14.560 1.00 0.00 C ATOM 637 CG PRO A 38 -6.022 -16.082 13.414 1.00 0.00 C ATOM 638 CD PRO A 38 -6.662 -15.087 12.451 1.00 0.00 C ATOM 0 HA PRO A 38 -5.382 -13.038 14.536 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.651 -15.642 15.051 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.283 -15.066 15.325 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.206 -16.629 12.941 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.742 -16.822 13.763 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.556 -15.420 11.418 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.730 -14.987 12.645 1.00 0.00 H new ATOM 646 N GLY A 39 -3.030 -12.737 14.113 1.00 0.00 N ATOM 647 CA GLY A 39 -1.630 -12.402 13.858 1.00 0.00 C ATOM 648 C GLY A 39 -1.476 -11.412 12.706 1.00 0.00 C ATOM 649 O GLY A 39 -0.407 -10.823 12.535 1.00 0.00 O ATOM 0 H GLY A 39 -3.480 -12.093 14.763 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.189 -11.979 14.760 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.076 -13.312 13.629 1.00 0.00 H new ATOM 653 N ALA A 40 -2.530 -11.190 11.916 1.00 0.00 N ATOM 654 CA ALA A 40 -2.487 -10.266 10.798 1.00 0.00 C ATOM 655 C ALA A 40 -2.799 -8.832 11.221 1.00 0.00 C ATOM 656 O ALA A 40 -2.801 -7.962 10.356 1.00 0.00 O ATOM 657 CB ALA A 40 -3.468 -10.699 9.716 1.00 0.00 C ATOM 0 H ALA A 40 -3.432 -11.649 12.040 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.470 -10.287 10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.425 -9.997 8.884 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.204 -11.696 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.478 -10.715 10.126 1.00 0.00 H new ATOM 663 N GLU A 41 -3.063 -8.547 12.499 1.00 0.00 N ATOM 664 CA GLU A 41 -3.314 -7.181 12.956 1.00 0.00 C ATOM 665 C GLU A 41 -2.120 -6.293 12.596 1.00 0.00 C ATOM 666 O GLU A 41 -2.284 -5.202 12.052 1.00 0.00 O ATOM 667 CB GLU A 41 -3.565 -7.195 14.470 1.00 0.00 C ATOM 668 CG GLU A 41 -3.991 -5.844 15.052 1.00 0.00 C ATOM 669 CD GLU A 41 -5.409 -5.483 14.615 1.00 0.00 C ATOM 670 OE1 GLU A 41 -6.374 -5.994 15.233 1.00 0.00 O ATOM 671 OE2 GLU A 41 -5.566 -4.696 13.659 1.00 0.00 O ATOM 0 H GLU A 41 -3.108 -9.249 13.237 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.197 -6.774 12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.337 -7.932 14.691 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.656 -7.524 14.974 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.940 -5.880 16.140 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.298 -5.069 14.726 1.00 0.00 H new ATOM 678 N GLU A 42 -0.908 -6.789 12.843 1.00 0.00 N ATOM 679 CA GLU A 42 0.331 -6.093 12.528 1.00 0.00 C ATOM 680 C GLU A 42 0.456 -5.903 11.015 1.00 0.00 C ATOM 681 O GLU A 42 0.742 -4.808 10.530 1.00 0.00 O ATOM 682 CB GLU A 42 1.507 -6.909 13.092 1.00 0.00 C ATOM 683 CG GLU A 42 2.828 -6.136 13.056 1.00 0.00 C ATOM 684 CD GLU A 42 2.796 -4.834 13.862 1.00 0.00 C ATOM 685 OE1 GLU A 42 1.949 -4.672 14.774 1.00 0.00 O ATOM 686 OE2 GLU A 42 3.667 -3.970 13.611 1.00 0.00 O ATOM 0 H GLU A 42 -0.761 -7.701 13.275 1.00 0.00 H new ATOM 0 HA GLU A 42 0.337 -5.102 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.286 -7.196 14.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.613 -7.830 12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.623 -6.773 13.442 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.078 -5.907 12.020 1.00 0.00 H new ATOM 693 N LYS A 43 0.171 -6.972 10.269 1.00 0.00 N ATOM 694 CA LYS A 43 0.187 -7.004 8.818 1.00 0.00 C ATOM 695 C LYS A 43 -0.704 -5.893 8.276 1.00 0.00 C ATOM 696 O LYS A 43 -0.269 -5.114 7.432 1.00 0.00 O ATOM 697 CB LYS A 43 -0.307 -8.384 8.348 1.00 0.00 C ATOM 698 CG LYS A 43 0.179 -8.747 6.945 1.00 0.00 C ATOM 699 CD LYS A 43 1.649 -9.177 6.896 1.00 0.00 C ATOM 700 CE LYS A 43 1.815 -10.559 7.537 1.00 0.00 C ATOM 701 NZ LYS A 43 3.212 -11.018 7.527 1.00 0.00 N ATOM 0 H LYS A 43 -0.086 -7.869 10.681 1.00 0.00 H new ATOM 0 HA LYS A 43 1.198 -6.844 8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.032 -9.144 9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.397 -8.398 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.440 -9.554 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.038 -7.889 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.994 -9.203 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.267 -8.448 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.454 -10.525 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.195 -11.280 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.272 -11.957 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.551 -11.077 6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.802 -10.346 8.057 1.00 0.00 H new ATOM 715 N PHE A 44 -1.939 -5.849 8.765 1.00 0.00 N ATOM 716 CA PHE A 44 -2.998 -4.915 8.426 1.00 0.00 C ATOM 717 C PHE A 44 -2.590 -3.481 8.754 1.00 0.00 C ATOM 718 O PHE A 44 -2.887 -2.560 7.997 1.00 0.00 O ATOM 719 CB PHE A 44 -4.318 -5.278 9.110 1.00 0.00 C ATOM 720 CG PHE A 44 -5.462 -4.401 8.633 1.00 0.00 C ATOM 721 CD1 PHE A 44 -5.890 -4.474 7.290 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.052 -3.462 9.497 1.00 0.00 C ATOM 723 CE1 PHE A 44 -6.886 -3.606 6.814 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.056 -2.598 9.020 1.00 0.00 C ATOM 725 CZ PHE A 44 -7.468 -2.662 7.678 1.00 0.00 C ATOM 0 H PHE A 44 -2.246 -6.523 9.466 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.159 -4.986 7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.555 -6.323 8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.208 -5.176 10.190 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.449 -5.202 6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.735 -3.403 10.528 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.205 -3.664 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.512 -1.883 9.689 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.229 -1.989 7.312 1.00 0.00 H new ATOM 735 N LYS A 45 -1.967 -3.264 9.916 1.00 0.00 N ATOM 736 CA LYS A 45 -1.474 -1.945 10.320 1.00 0.00 C ATOM 737 C LYS A 45 -0.575 -1.416 9.206 1.00 0.00 C ATOM 738 O LYS A 45 -0.738 -0.273 8.779 1.00 0.00 O ATOM 739 CB LYS A 45 -0.812 -2.021 11.724 1.00 0.00 C ATOM 740 CG LYS A 45 0.643 -1.544 11.927 1.00 0.00 C ATOM 741 CD LYS A 45 0.937 -0.045 11.743 1.00 0.00 C ATOM 742 CE LYS A 45 -0.030 0.858 12.508 1.00 0.00 C ATOM 743 NZ LYS A 45 0.189 2.281 12.186 1.00 0.00 N ATOM 0 H LYS A 45 -1.791 -3.998 10.602 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.284 -1.226 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.438 -1.447 12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.858 -3.061 12.047 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.950 -1.825 12.934 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.277 -2.098 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.955 0.162 12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.890 0.200 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.056 0.583 12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.096 0.703 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.547 2.857 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.124 2.576 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.145 2.415 11.156 1.00 0.00 H new ATOM 757 N GLU A 46 0.283 -2.265 8.647 1.00 0.00 N ATOM 758 CA GLU A 46 1.142 -1.928 7.549 1.00 0.00 C ATOM 759 C GLU A 46 0.365 -1.826 6.231 1.00 0.00 C ATOM 760 O GLU A 46 0.688 -0.961 5.419 1.00 0.00 O ATOM 761 CB GLU A 46 2.192 -3.029 7.459 1.00 0.00 C ATOM 762 CG GLU A 46 3.584 -2.431 7.542 1.00 0.00 C ATOM 763 CD GLU A 46 4.675 -3.362 7.020 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.439 -4.594 6.983 1.00 0.00 O ATOM 765 OE2 GLU A 46 5.785 -2.876 6.694 1.00 0.00 O ATOM 0 H GLU A 46 0.392 -3.228 8.964 1.00 0.00 H new ATOM 0 HA GLU A 46 1.598 -0.952 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.048 -3.747 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.078 -3.575 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.607 -1.502 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.800 -2.175 8.579 1.00 0.00 H new ATOM 772 N ILE A 47 -0.667 -2.660 6.026 1.00 0.00 N ATOM 773 CA ILE A 47 -1.559 -2.571 4.869 1.00 0.00 C ATOM 774 C ILE A 47 -2.107 -1.160 4.814 1.00 0.00 C ATOM 775 O ILE A 47 -1.998 -0.578 3.752 1.00 0.00 O ATOM 776 CB ILE A 47 -2.703 -3.615 4.877 1.00 0.00 C ATOM 777 CG1 ILE A 47 -2.132 -5.039 4.701 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.849 -3.327 3.871 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.126 -5.524 3.259 1.00 0.00 C ATOM 0 H ILE A 47 -0.904 -3.419 6.665 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.981 -2.803 3.975 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.175 -3.535 5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.113 -5.062 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.717 -5.732 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.605 -4.109 3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.301 -2.362 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.447 -3.307 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.711 -6.531 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.146 -5.535 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.517 -4.854 2.652 1.00 0.00 H new ATOM 791 N ALA A 48 -2.663 -0.609 5.898 1.00 0.00 N ATOM 792 CA ALA A 48 -3.269 0.720 5.909 1.00 0.00 C ATOM 793 C ALA A 48 -2.250 1.819 5.585 1.00 0.00 C ATOM 794 O ALA A 48 -2.604 2.810 4.942 1.00 0.00 O ATOM 795 CB ALA A 48 -3.931 0.971 7.262 1.00 0.00 C ATOM 0 H ALA A 48 -2.704 -1.081 6.801 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.027 0.754 5.126 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.382 1.963 7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.702 0.220 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.181 0.909 8.051 1.00 0.00 H new ATOM 801 N GLU A 49 -0.993 1.651 5.999 1.00 0.00 N ATOM 802 CA GLU A 49 0.087 2.577 5.676 1.00 0.00 C ATOM 803 C GLU A 49 0.407 2.518 4.179 1.00 0.00 C ATOM 804 O GLU A 49 0.559 3.550 3.521 1.00 0.00 O ATOM 805 CB GLU A 49 1.308 2.274 6.558 1.00 0.00 C ATOM 806 CG GLU A 49 1.629 3.421 7.528 1.00 0.00 C ATOM 807 CD GLU A 49 0.499 3.669 8.535 1.00 0.00 C ATOM 808 OE1 GLU A 49 0.404 2.951 9.552 1.00 0.00 O ATOM 809 OE2 GLU A 49 -0.304 4.615 8.329 1.00 0.00 O ATOM 0 H GLU A 49 -0.696 0.861 6.572 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.222 3.600 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.125 1.362 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.174 2.086 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.548 3.191 8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.812 4.333 6.960 1.00 0.00 H new ATOM 816 N ALA A 50 0.389 1.313 3.604 1.00 0.00 N ATOM 817 CA ALA A 50 0.603 1.115 2.182 1.00 0.00 C ATOM 818 C ALA A 50 -0.634 1.585 1.416 1.00 0.00 C ATOM 819 O ALA A 50 -0.504 2.153 0.341 1.00 0.00 O ATOM 820 CB ALA A 50 0.889 -0.364 1.913 1.00 0.00 C ATOM 0 H ALA A 50 0.224 0.449 4.120 1.00 0.00 H new ATOM 0 HA ALA A 50 1.460 1.697 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.050 -0.515 0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.781 -0.668 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.040 -0.964 2.240 1.00 0.00 H new ATOM 826 N TYR A 51 -1.824 1.416 1.982 1.00 0.00 N ATOM 827 CA TYR A 51 -3.119 1.731 1.415 1.00 0.00 C ATOM 828 C TYR A 51 -3.142 3.196 1.029 1.00 0.00 C ATOM 829 O TYR A 51 -3.539 3.543 -0.084 1.00 0.00 O ATOM 830 CB TYR A 51 -4.188 1.446 2.481 1.00 0.00 C ATOM 831 CG TYR A 51 -5.496 0.897 2.003 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.532 -0.439 1.572 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.677 1.649 2.118 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.754 -1.020 1.216 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.906 1.068 1.772 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.942 -0.265 1.305 1.00 0.00 C ATOM 837 OH TYR A 51 -9.133 -0.812 0.944 1.00 0.00 O ATOM 0 H TYR A 51 -1.909 1.025 2.920 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.315 1.129 0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.769 0.744 3.201 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.386 2.373 3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.620 -1.015 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.639 2.669 2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.787 -2.044 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.820 1.637 1.862 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.847 -0.153 1.070 1.00 0.00 H new ATOM 847 N ASP A 52 -2.730 4.054 1.965 1.00 0.00 N ATOM 848 CA ASP A 52 -2.804 5.491 1.779 1.00 0.00 C ATOM 849 C ASP A 52 -1.773 5.939 0.751 1.00 0.00 C ATOM 850 O ASP A 52 -2.141 6.611 -0.208 1.00 0.00 O ATOM 851 CB ASP A 52 -2.659 6.223 3.110 1.00 0.00 C ATOM 852 CG ASP A 52 -3.453 7.524 3.056 1.00 0.00 C ATOM 853 OD1 ASP A 52 -4.688 7.486 3.241 1.00 0.00 O ATOM 854 OD2 ASP A 52 -2.844 8.597 2.841 1.00 0.00 O ATOM 0 H ASP A 52 -2.340 3.768 2.863 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.788 5.750 1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.021 5.596 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.608 6.432 3.311 1.00 0.00 H new ATOM 859 N VAL A 53 -0.521 5.473 0.853 1.00 0.00 N ATOM 860 CA VAL A 53 0.564 5.872 -0.048 1.00 0.00 C ATOM 861 C VAL A 53 0.233 5.432 -1.463 1.00 0.00 C ATOM 862 O VAL A 53 0.384 6.211 -2.403 1.00 0.00 O ATOM 863 CB VAL A 53 1.885 5.204 0.400 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.996 5.199 -0.668 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.420 5.907 1.643 1.00 0.00 C ATOM 0 H VAL A 53 -0.233 4.805 1.568 1.00 0.00 H new ATOM 0 HA VAL A 53 0.678 6.956 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 53 1.630 4.163 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.884 4.711 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.651 4.657 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.239 6.225 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.351 5.434 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.605 6.957 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.687 5.833 2.447 1.00 0.00 H new ATOM 875 N LEU A 54 -0.186 4.180 -1.623 1.00 0.00 N ATOM 876 CA LEU A 54 -0.435 3.605 -2.914 1.00 0.00 C ATOM 877 C LEU A 54 -1.621 4.303 -3.568 1.00 0.00 C ATOM 878 O LEU A 54 -1.558 4.567 -4.768 1.00 0.00 O ATOM 879 CB LEU A 54 -0.566 2.095 -2.765 1.00 0.00 C ATOM 880 CG LEU A 54 0.753 1.407 -2.340 1.00 0.00 C ATOM 881 CD1 LEU A 54 0.474 -0.066 -2.071 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.874 1.516 -3.377 1.00 0.00 C ATOM 0 H LEU A 54 -0.360 3.542 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 54 0.398 3.765 -3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.337 1.875 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.901 1.671 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 54 1.102 1.926 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.397 -0.562 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.263 -0.157 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.089 -0.535 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.764 1.009 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.554 1.050 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.103 2.567 -3.556 1.00 0.00 H new ATOM 894 N SER A 55 -2.656 4.663 -2.805 1.00 0.00 N ATOM 895 CA SER A 55 -3.792 5.382 -3.354 1.00 0.00 C ATOM 896 C SER A 55 -3.453 6.823 -3.759 1.00 0.00 C ATOM 897 O SER A 55 -4.043 7.323 -4.718 1.00 0.00 O ATOM 898 CB SER A 55 -4.947 5.356 -2.344 1.00 0.00 C ATOM 899 OG SER A 55 -4.709 6.121 -1.169 1.00 0.00 O ATOM 0 H SER A 55 -2.724 4.465 -1.807 1.00 0.00 H new ATOM 0 HA SER A 55 -4.090 4.875 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.849 5.728 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.142 4.322 -2.058 1.00 0.00 H new ATOM 0 HG SER A 55 -3.746 6.161 -0.994 1.00 0.00 H new ATOM 905 N ASP A 56 -2.547 7.491 -3.039 1.00 0.00 N ATOM 906 CA ASP A 56 -2.453 8.950 -3.007 1.00 0.00 C ATOM 907 C ASP A 56 -1.327 9.468 -3.909 1.00 0.00 C ATOM 908 O ASP A 56 -0.149 9.279 -3.580 1.00 0.00 O ATOM 909 CB ASP A 56 -2.230 9.386 -1.556 1.00 0.00 C ATOM 910 CG ASP A 56 -2.019 10.887 -1.366 1.00 0.00 C ATOM 911 OD1 ASP A 56 -2.313 11.691 -2.280 1.00 0.00 O ATOM 912 OD2 ASP A 56 -1.646 11.263 -0.230 1.00 0.00 O ATOM 0 H ASP A 56 -1.851 7.027 -2.456 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.380 9.376 -3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.089 9.076 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.362 8.858 -1.162 1.00 0.00 H new ATOM 917 N PRO A 57 -1.637 10.142 -5.034 1.00 0.00 N ATOM 918 CA PRO A 57 -0.637 10.538 -6.016 1.00 0.00 C ATOM 919 C PRO A 57 0.441 11.409 -5.382 1.00 0.00 C ATOM 920 O PRO A 57 1.634 11.131 -5.523 1.00 0.00 O ATOM 921 CB PRO A 57 -1.399 11.282 -7.120 1.00 0.00 C ATOM 922 CG PRO A 57 -2.675 11.760 -6.434 1.00 0.00 C ATOM 923 CD PRO A 57 -2.946 10.656 -5.415 1.00 0.00 C ATOM 0 HA PRO A 57 -0.113 9.674 -6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.819 12.118 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.621 10.627 -7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.537 12.729 -5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.498 11.869 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.481 11.045 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.566 9.869 -5.845 1.00 0.00 H new ATOM 931 N ARG A 58 0.038 12.449 -4.657 1.00 0.00 N ATOM 932 CA ARG A 58 0.955 13.456 -4.140 1.00 0.00 C ATOM 933 C ARG A 58 1.893 12.916 -3.068 1.00 0.00 C ATOM 934 O ARG A 58 2.858 13.592 -2.714 1.00 0.00 O ATOM 935 CB ARG A 58 0.136 14.648 -3.667 1.00 0.00 C ATOM 936 CG ARG A 58 -0.418 14.449 -2.257 1.00 0.00 C ATOM 937 CD ARG A 58 -1.828 15.016 -2.153 1.00 0.00 C ATOM 938 NE ARG A 58 -2.286 15.065 -0.765 1.00 0.00 N ATOM 939 CZ ARG A 58 -1.991 16.009 0.133 1.00 0.00 C ATOM 940 NH1 ARG A 58 -1.209 17.038 -0.186 1.00 0.00 N ATOM 941 NH2 ARG A 58 -2.491 15.896 1.353 1.00 0.00 N ATOM 0 H ARG A 58 -0.938 12.616 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 58 1.624 13.774 -4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.757 15.544 -3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.689 14.816 -4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.427 13.387 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.232 14.939 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.850 16.019 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.512 14.404 -2.741 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.889 14.304 -0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.825 17.114 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.994 17.750 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.086 15.102 1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.281 16.603 2.058 1.00 0.00 H new ATOM 955 N LYS A 59 1.614 11.725 -2.539 1.00 0.00 N ATOM 956 CA LYS A 59 2.470 11.027 -1.608 1.00 0.00 C ATOM 957 C LYS A 59 3.307 9.979 -2.324 1.00 0.00 C ATOM 958 O LYS A 59 4.488 9.846 -2.005 1.00 0.00 O ATOM 959 CB LYS A 59 1.576 10.433 -0.529 1.00 0.00 C ATOM 960 CG LYS A 59 2.412 9.677 0.504 1.00 0.00 C ATOM 961 CD LYS A 59 1.754 9.666 1.883 1.00 0.00 C ATOM 962 CE LYS A 59 0.291 9.222 1.880 1.00 0.00 C ATOM 963 NZ LYS A 59 -0.239 9.231 3.251 1.00 0.00 N ATOM 0 H LYS A 59 0.760 11.213 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 59 3.186 11.706 -1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.012 11.226 -0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.849 9.758 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.562 8.651 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.398 10.136 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.321 9.004 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.817 10.667 2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.298 9.887 1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.207 8.222 1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.206 8.848 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.366 8.645 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.253 10.206 3.611 1.00 0.00 H new ATOM 977 N ARG A 60 2.763 9.266 -3.312 1.00 0.00 N ATOM 978 CA ARG A 60 3.587 8.376 -4.128 1.00 0.00 C ATOM 979 C ARG A 60 4.663 9.140 -4.891 1.00 0.00 C ATOM 980 O ARG A 60 5.737 8.596 -5.096 1.00 0.00 O ATOM 981 CB ARG A 60 2.712 7.513 -5.051 1.00 0.00 C ATOM 982 CG ARG A 60 2.872 6.051 -4.623 1.00 0.00 C ATOM 983 CD ARG A 60 1.792 5.145 -5.196 1.00 0.00 C ATOM 984 NE ARG A 60 1.905 4.935 -6.646 1.00 0.00 N ATOM 985 CZ ARG A 60 0.916 4.874 -7.543 1.00 0.00 C ATOM 986 NH1 ARG A 60 -0.344 5.126 -7.214 1.00 0.00 N ATOM 987 NH2 ARG A 60 1.187 4.553 -8.799 1.00 0.00 N ATOM 0 H ARG A 60 1.774 9.286 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 60 4.115 7.698 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.668 7.818 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.013 7.641 -6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.850 5.689 -4.942 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.849 5.992 -3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.836 4.179 -4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.815 5.575 -4.975 1.00 0.00 H new ATOM 0 HE ARG A 60 2.851 4.822 -7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.580 5.375 -6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.077 5.071 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.147 4.353 -9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.435 4.505 -9.487 1.00 0.00 H new ATOM 1001 N GLU A 61 4.420 10.406 -5.212 1.00 0.00 N ATOM 1002 CA GLU A 61 5.385 11.388 -5.696 1.00 0.00 C ATOM 1003 C GLU A 61 6.591 11.502 -4.748 1.00 0.00 C ATOM 1004 O GLU A 61 7.740 11.493 -5.179 1.00 0.00 O ATOM 1005 CB GLU A 61 4.588 12.699 -5.791 1.00 0.00 C ATOM 1006 CG GLU A 61 5.349 14.001 -6.032 1.00 0.00 C ATOM 1007 CD GLU A 61 6.087 14.061 -7.367 1.00 0.00 C ATOM 1008 OE1 GLU A 61 5.518 14.555 -8.369 1.00 0.00 O ATOM 1009 OE2 GLU A 61 7.297 13.739 -7.381 1.00 0.00 O ATOM 0 H GLU A 61 3.482 10.800 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 61 5.815 11.112 -6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.861 12.587 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.024 12.812 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.647 14.833 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.069 14.142 -5.226 1.00 0.00 H new ATOM 1016 N ILE A 62 6.344 11.540 -3.438 1.00 0.00 N ATOM 1017 CA ILE A 62 7.392 11.682 -2.424 1.00 0.00 C ATOM 1018 C ILE A 62 8.143 10.351 -2.332 1.00 0.00 C ATOM 1019 O ILE A 62 9.374 10.343 -2.280 1.00 0.00 O ATOM 1020 CB ILE A 62 6.775 12.060 -1.050 1.00 0.00 C ATOM 1021 CG1 ILE A 62 5.941 13.354 -1.161 1.00 0.00 C ATOM 1022 CG2 ILE A 62 7.844 12.211 0.046 1.00 0.00 C ATOM 1023 CD1 ILE A 62 5.221 13.755 0.132 1.00 0.00 C ATOM 0 H ILE A 62 5.404 11.473 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 62 8.079 12.481 -2.703 1.00 0.00 H new ATOM 0 HB ILE A 62 6.120 11.238 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.597 14.170 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.201 13.228 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.364 12.476 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.380 11.269 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.546 12.995 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.659 14.674 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.537 12.960 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.955 13.916 0.922 1.00 0.00 H new ATOM 1035 N PHE A 63 7.421 9.232 -2.331 1.00 0.00 N ATOM 1036 CA PHE A 63 8.001 7.899 -2.256 1.00 0.00 C ATOM 1037 C PHE A 63 8.815 7.579 -3.517 1.00 0.00 C ATOM 1038 O PHE A 63 9.799 6.850 -3.442 1.00 0.00 O ATOM 1039 CB PHE A 63 6.851 6.899 -2.063 1.00 0.00 C ATOM 1040 CG PHE A 63 7.246 5.477 -1.713 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.614 4.569 -2.726 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.178 5.038 -0.377 1.00 0.00 C ATOM 1043 CE1 PHE A 63 7.877 3.225 -2.412 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.439 3.693 -0.063 1.00 0.00 C ATOM 1045 CZ PHE A 63 7.760 2.781 -1.082 1.00 0.00 C ATOM 0 H PHE A 63 6.402 9.229 -2.383 1.00 0.00 H new ATOM 0 HA PHE A 63 8.693 7.836 -1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.199 7.276 -1.275 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.262 6.874 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.694 4.908 -3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.925 5.736 0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.168 2.534 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.393 3.360 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.917 1.739 -0.845 1.00 0.00 H new ATOM 1055 N ASP A 64 8.422 8.110 -4.675 1.00 0.00 N ATOM 1056 CA ASP A 64 9.140 8.027 -5.943 1.00 0.00 C ATOM 1057 C ASP A 64 10.447 8.815 -5.833 1.00 0.00 C ATOM 1058 O ASP A 64 11.534 8.276 -6.024 1.00 0.00 O ATOM 1059 CB ASP A 64 8.246 8.576 -7.068 1.00 0.00 C ATOM 1060 CG ASP A 64 8.889 8.468 -8.449 1.00 0.00 C ATOM 1061 OD1 ASP A 64 9.973 9.045 -8.680 1.00 0.00 O ATOM 1062 OD2 ASP A 64 8.284 7.825 -9.339 1.00 0.00 O ATOM 0 H ASP A 64 7.551 8.635 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 64 9.384 6.991 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.301 8.034 -7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.014 9.621 -6.862 1.00 0.00 H new ATOM 1067 N ARG A 65 10.341 10.103 -5.497 1.00 0.00 N ATOM 1068 CA ARG A 65 11.457 11.043 -5.539 1.00 0.00 C ATOM 1069 C ARG A 65 12.507 10.668 -4.499 1.00 0.00 C ATOM 1070 O ARG A 65 13.710 10.810 -4.738 1.00 0.00 O ATOM 1071 CB ARG A 65 10.905 12.447 -5.318 1.00 0.00 C ATOM 1072 CG ARG A 65 11.910 13.480 -4.790 1.00 0.00 C ATOM 1073 CD ARG A 65 11.349 14.896 -4.927 1.00 0.00 C ATOM 1074 NE ARG A 65 11.265 15.260 -6.349 1.00 0.00 N ATOM 1075 CZ ARG A 65 12.188 15.890 -7.072 1.00 0.00 C ATOM 1076 NH1 ARG A 65 13.189 16.530 -6.475 1.00 0.00 N ATOM 1077 NH2 ARG A 65 12.106 15.839 -8.393 1.00 0.00 N ATOM 0 H ARG A 65 9.466 10.525 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 65 11.953 11.008 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.499 12.811 -6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.073 12.385 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.137 13.273 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.847 13.399 -5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.362 14.952 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.987 15.603 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 65 10.406 15.002 -6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.253 16.540 -5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.893 17.011 -7.035 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.346 15.324 -8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.803 16.315 -8.966 1.00 0.00 H new ATOM 1091 N TYR A 66 12.040 10.331 -3.305 1.00 0.00 N ATOM 1092 CA TYR A 66 12.858 9.939 -2.167 1.00 0.00 C ATOM 1093 C TYR A 66 12.743 8.432 -1.958 1.00 0.00 C ATOM 1094 O TYR A 66 13.649 7.679 -2.323 1.00 0.00 O ATOM 1095 CB TYR A 66 12.466 10.743 -0.914 1.00 0.00 C ATOM 1096 CG TYR A 66 12.556 12.245 -1.105 1.00 0.00 C ATOM 1097 CD1 TYR A 66 13.807 12.861 -1.284 1.00 0.00 C ATOM 1098 CD2 TYR A 66 11.386 13.024 -1.167 1.00 0.00 C ATOM 1099 CE1 TYR A 66 13.892 14.232 -1.579 1.00 0.00 C ATOM 1100 CE2 TYR A 66 11.467 14.401 -1.436 1.00 0.00 C ATOM 1101 CZ TYR A 66 12.717 15.011 -1.668 1.00 0.00 C ATOM 1102 OH TYR A 66 12.763 16.325 -2.022 1.00 0.00 O ATOM 0 H TYR A 66 11.042 10.323 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 66 13.905 10.169 -2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 66 11.447 10.482 -0.629 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.113 10.451 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 66 14.710 12.276 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 66 10.423 12.562 -1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.857 14.691 -1.738 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.566 14.996 -1.465 1.00 0.00 H new ATOM 0 HH TYR A 66 11.855 16.694 -2.030 1.00 0.00 H new ATOM 1112 N GLY A 67 11.651 7.984 -1.349 1.00 0.00 N ATOM 1113 CA GLY A 67 11.513 6.693 -0.699 1.00 0.00 C ATOM 1114 C GLY A 67 10.746 6.923 0.599 1.00 0.00 C ATOM 1115 O GLY A 67 10.186 8.005 0.799 1.00 0.00 O ATOM 0 H GLY A 67 10.798 8.541 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.980 5.993 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.491 6.258 -0.496 1.00 0.00 H new ATOM 1119 N GLU A 68 10.734 5.926 1.485 1.00 0.00 N ATOM 1120 CA GLU A 68 10.088 6.026 2.794 1.00 0.00 C ATOM 1121 C GLU A 68 10.609 7.244 3.562 1.00 0.00 C ATOM 1122 O GLU A 68 9.823 7.965 4.172 1.00 0.00 O ATOM 1123 CB GLU A 68 10.305 4.711 3.566 1.00 0.00 C ATOM 1124 CG GLU A 68 9.552 4.635 4.908 1.00 0.00 C ATOM 1125 CD GLU A 68 10.191 5.406 6.075 1.00 0.00 C ATOM 1126 OE1 GLU A 68 11.433 5.555 6.131 1.00 0.00 O ATOM 1127 OE2 GLU A 68 9.436 5.819 6.981 1.00 0.00 O ATOM 0 H GLU A 68 11.174 5.022 1.314 1.00 0.00 H new ATOM 0 HA GLU A 68 9.015 6.173 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.990 3.878 2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.371 4.584 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.540 5.012 4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.462 3.587 5.195 1.00 0.00 H new ATOM 1134 N GLU A 69 11.911 7.519 3.482 1.00 0.00 N ATOM 1135 CA GLU A 69 12.561 8.541 4.294 1.00 0.00 C ATOM 1136 C GLU A 69 12.036 9.940 3.926 1.00 0.00 C ATOM 1137 O GLU A 69 12.085 10.856 4.746 1.00 0.00 O ATOM 1138 CB GLU A 69 14.068 8.488 4.004 1.00 0.00 C ATOM 1139 CG GLU A 69 14.776 7.400 4.827 1.00 0.00 C ATOM 1140 CD GLU A 69 14.521 5.982 4.303 1.00 0.00 C ATOM 1141 OE1 GLU A 69 14.226 5.803 3.096 1.00 0.00 O ATOM 1142 OE2 GLU A 69 14.774 5.010 5.053 1.00 0.00 O ATOM 0 H GLU A 69 12.546 7.035 2.847 1.00 0.00 H new ATOM 0 HA GLU A 69 12.353 8.355 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.226 8.300 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.514 9.458 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.849 7.593 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.442 7.463 5.863 1.00 0.00 H new ATOM 1149 N GLY A 70 11.517 10.117 2.705 1.00 0.00 N ATOM 1150 CA GLY A 70 10.976 11.388 2.245 1.00 0.00 C ATOM 1151 C GLY A 70 9.657 11.740 2.921 1.00 0.00 C ATOM 1152 O GLY A 70 9.331 12.921 3.058 1.00 0.00 O ATOM 0 H GLY A 70 11.463 9.373 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.701 12.179 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.828 11.347 1.166 1.00 0.00 H new ATOM 1156 N LEU A 71 8.885 10.718 3.287 1.00 0.00 N ATOM 1157 CA LEU A 71 7.564 10.852 3.878 1.00 0.00 C ATOM 1158 C LEU A 71 7.703 11.300 5.338 1.00 0.00 C ATOM 1159 O LEU A 71 8.769 11.172 5.939 1.00 0.00 O ATOM 1160 CB LEU A 71 6.856 9.491 3.708 1.00 0.00 C ATOM 1161 CG LEU A 71 5.429 9.372 4.262 1.00 0.00 C ATOM 1162 CD1 LEU A 71 4.499 10.449 3.702 1.00 0.00 C ATOM 1163 CD2 LEU A 71 4.866 7.985 3.929 1.00 0.00 C ATOM 0 H LEU A 71 9.175 9.746 3.175 1.00 0.00 H new ATOM 0 HA LEU A 71 6.958 11.616 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.827 9.255 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.470 8.728 4.187 1.00 0.00 H new ATOM 0 HG LEU A 71 5.481 9.512 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.502 10.323 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.883 11.434 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.449 10.358 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.853 7.900 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.848 7.850 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.496 7.219 4.380 1.00 0.00 H new ATOM 1175 N LYS A 72 6.625 11.818 5.926 1.00 0.00 N ATOM 1176 CA LYS A 72 6.490 12.095 7.350 1.00 0.00 C ATOM 1177 C LYS A 72 5.050 11.752 7.725 1.00 0.00 C ATOM 1178 O LYS A 72 4.234 12.623 8.013 1.00 0.00 O ATOM 1179 CB LYS A 72 6.890 13.556 7.620 1.00 0.00 C ATOM 1180 CG LYS A 72 6.995 13.856 9.120 1.00 0.00 C ATOM 1181 CD LYS A 72 7.509 15.273 9.424 1.00 0.00 C ATOM 1182 CE LYS A 72 8.942 15.318 9.982 1.00 0.00 C ATOM 1183 NZ LYS A 72 9.971 14.904 9.006 1.00 0.00 N ATOM 0 H LYS A 72 5.788 12.065 5.398 1.00 0.00 H new ATOM 0 HA LYS A 72 7.152 11.495 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.847 13.764 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.155 14.222 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.015 13.727 9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.662 13.128 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.468 15.866 8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.837 15.745 10.141 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.160 16.331 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.002 14.671 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.911 14.958 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.787 13.927 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.940 15.535 8.180 1.00 0.00 H new ATOM 1197 N GLY A 73 4.698 10.474 7.614 1.00 0.00 N ATOM 1198 CA GLY A 73 3.356 9.992 7.862 1.00 0.00 C ATOM 1199 C GLY A 73 3.250 9.688 9.343 1.00 0.00 C ATOM 1200 O GLY A 73 3.336 8.522 9.721 1.00 0.00 O ATOM 0 H GLY A 73 5.352 9.739 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.619 10.740 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.154 9.098 7.271 1.00 0.00 H new ATOM 1204 N SER A 74 3.133 10.745 10.150 1.00 0.00 N ATOM 1205 CA SER A 74 3.367 10.795 11.587 1.00 0.00 C ATOM 1206 C SER A 74 4.854 11.097 11.758 1.00 0.00 C ATOM 1207 O SER A 74 5.691 10.194 11.750 1.00 0.00 O ATOM 1208 CB SER A 74 2.921 9.526 12.348 1.00 0.00 C ATOM 1209 OG SER A 74 2.455 9.826 13.654 1.00 0.00 O ATOM 0 H SER A 74 2.851 11.654 9.784 1.00 0.00 H new ATOM 0 HA SER A 74 2.748 11.571 12.038 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.131 9.026 11.787 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.757 8.829 12.412 1.00 0.00 H new ATOM 0 HG SER A 74 2.181 8.998 14.102 1.00 0.00 H new ATOM 1215 N GLY A 75 5.205 12.377 11.866 1.00 0.00 N ATOM 1216 CA GLY A 75 6.539 12.788 12.265 1.00 0.00 C ATOM 1217 C GLY A 75 6.686 12.565 13.760 1.00 0.00 C ATOM 1218 O GLY A 75 6.692 13.542 14.514 1.00 0.00 O ATOM 0 H GLY A 75 4.570 13.153 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.290 12.215 11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.700 13.838 12.021 1.00 0.00 H new ATOM 1222 N CYS A 76 6.783 11.301 14.185 1.00 0.00 N ATOM 1223 CA CYS A 76 6.498 10.851 15.541 1.00 0.00 C ATOM 1224 C CYS A 76 5.103 11.356 15.907 1.00 0.00 C ATOM 1225 O CYS A 76 4.938 12.082 16.909 1.00 0.00 O ATOM 1226 CB CYS A 76 7.629 11.287 16.492 1.00 0.00 C ATOM 1227 SG CYS A 76 7.652 10.274 17.994 1.00 0.00 S ATOM 0 H CYS A 76 7.072 10.541 13.569 1.00 0.00 H new ATOM 0 HA CYS A 76 6.478 9.765 15.628 1.00 0.00 H new ATOM 0 HB2 CYS A 76 8.588 11.206 15.981 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.498 12.335 16.760 1.00 0.00 H new ATOM 0 HG CYS A 76 8.618 10.669 18.769 1.00 0.00 H new TER 1233 CYS A 76