USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 445 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 8 LYS NZ :NH3+ 172:sc= -1.64 (180deg=-2.05) USER MOD Single : A 9 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.53) USER MOD Single : A 10 MET CE :methyl -113:sc= -4.95! (180deg=-10.8!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -30:sc= 0.675 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0135 K(o=-0.014,f=-1) USER MOD Single : A 25 TYR OH : rot 130:sc= -0.0289 USER MOD Single : A 29 ASN : amide:sc= -0.07 X(o=-0.07,f=-0.068) USER MOD Single : A 30 LYS NZ :NH3+ -111:sc= -0.0176 (180deg=-0.128) USER MOD Single : A 31 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.48) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc=-0.00652 X(o=-0.0065,f=0) USER MOD Single : A 39 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ 157:sc= 1.08 (180deg=0.803) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -140:sc= -1.62 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.3!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= 0.15 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.238 -11.331 1.254 1.00 0.00 N ATOM 48 CA ALA A 5 -3.297 -11.792 0.247 1.00 0.00 C ATOM 49 C ALA A 5 -3.415 -10.908 -0.997 1.00 0.00 C ATOM 50 O ALA A 5 -2.421 -10.651 -1.675 1.00 0.00 O ATOM 51 CB ALA A 5 -3.559 -13.267 -0.060 1.00 0.00 C ATOM 0 HA ALA A 5 -2.273 -11.712 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.853 -13.612 -0.815 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.435 -13.856 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.576 -13.386 -0.433 1.00 0.00 H new ATOM 57 N GLU A 6 -4.636 -10.466 -1.257 1.00 0.00 N ATOM 58 CA GLU A 6 -4.896 -9.616 -2.406 1.00 0.00 C ATOM 59 C GLU A 6 -4.270 -8.236 -2.198 1.00 0.00 C ATOM 60 O GLU A 6 -3.705 -7.660 -3.127 1.00 0.00 O ATOM 61 CB GLU A 6 -6.397 -9.503 -2.676 1.00 0.00 C ATOM 62 CG GLU A 6 -6.710 -8.272 -3.528 1.00 0.00 C ATOM 63 CD GLU A 6 -7.863 -8.551 -4.493 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.638 -9.346 -5.432 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.944 -7.964 -4.272 1.00 0.00 O ATOM 0 H GLU A 6 -5.457 -10.681 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.437 -10.073 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.747 -10.401 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.936 -9.442 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.968 -7.434 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.823 -7.980 -4.090 1.00 0.00 H new ATOM 70 N LEU A 7 -4.391 -7.745 -0.974 1.00 0.00 N ATOM 71 CA LEU A 7 -3.844 -6.443 -0.631 1.00 0.00 C ATOM 72 C LEU A 7 -2.324 -6.471 -0.807 1.00 0.00 C ATOM 73 O LEU A 7 -1.729 -5.488 -1.246 1.00 0.00 O ATOM 74 CB LEU A 7 -4.294 -6.024 0.770 1.00 0.00 C ATOM 75 CG LEU A 7 -5.700 -5.430 0.874 1.00 0.00 C ATOM 76 CD1 LEU A 7 -5.908 -4.329 -0.168 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.766 -6.522 0.773 1.00 0.00 C ATOM 0 H LEU A 7 -4.860 -8.226 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.229 -5.678 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.240 -6.895 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.583 -5.293 1.155 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.804 -4.969 1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.915 -3.923 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.180 -3.534 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.777 -4.744 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.756 -6.072 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.673 -7.034 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.630 -7.240 1.582 1.00 0.00 H new ATOM 88 N LYS A 8 -1.741 -7.606 -0.455 1.00 0.00 N ATOM 89 CA LYS A 8 -0.303 -7.775 -0.569 1.00 0.00 C ATOM 90 C LYS A 8 0.098 -7.733 -2.045 1.00 0.00 C ATOM 91 O LYS A 8 1.045 -7.042 -2.417 1.00 0.00 O ATOM 92 CB LYS A 8 0.148 -9.047 0.153 1.00 0.00 C ATOM 93 CG LYS A 8 1.236 -8.737 1.182 1.00 0.00 C ATOM 94 CD LYS A 8 0.992 -9.499 2.486 1.00 0.00 C ATOM 95 CE LYS A 8 -0.365 -9.133 3.089 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.214 -8.746 4.509 1.00 0.00 N ATOM 0 H LYS A 8 -2.238 -8.418 -0.090 1.00 0.00 H new ATOM 0 HA LYS A 8 0.215 -6.954 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.705 -9.510 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.524 -9.768 -0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.212 -9.006 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.258 -7.666 1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.033 -10.572 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.784 -9.270 3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.809 -8.311 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.046 -9.980 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.117 -8.372 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.061 -9.579 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.521 -8.015 4.593 1.00 0.00 H new ATOM 106 N GLN A 9 -0.646 -8.481 -2.848 1.00 0.00 N ATOM 107 CA GLN A 9 -0.381 -8.538 -4.275 1.00 0.00 C ATOM 108 C GLN A 9 -0.638 -7.174 -4.918 1.00 0.00 C ATOM 109 O GLN A 9 0.144 -6.718 -5.751 1.00 0.00 O ATOM 110 CB GLN A 9 -1.221 -9.627 -4.946 1.00 0.00 C ATOM 111 CG GLN A 9 -0.333 -10.619 -5.698 1.00 0.00 C ATOM 112 CD GLN A 9 -0.880 -10.890 -7.102 1.00 0.00 C ATOM 113 OE1 GLN A 9 -1.329 -9.998 -7.804 1.00 0.00 O ATOM 114 NE2 GLN A 9 -0.816 -12.166 -7.471 1.00 0.00 N ATOM 0 H GLN A 9 -1.432 -9.052 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 9 0.669 -8.794 -4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.806 -10.155 -4.193 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.929 -9.171 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.681 -10.224 -5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.273 -11.554 -5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.428 -12.862 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.155 -12.449 -8.391 1.00 0.00 H new ATOM 121 N MET A 10 -1.738 -6.559 -4.506 1.00 0.00 N ATOM 122 CA MET A 10 -2.108 -5.255 -5.031 1.00 0.00 C ATOM 123 C MET A 10 -1.082 -4.193 -4.633 1.00 0.00 C ATOM 124 O MET A 10 -0.661 -3.390 -5.463 1.00 0.00 O ATOM 125 CB MET A 10 -3.486 -4.863 -4.495 1.00 0.00 C ATOM 126 CG MET A 10 -4.585 -5.721 -5.125 1.00 0.00 C ATOM 127 SD MET A 10 -6.143 -5.411 -4.311 1.00 0.00 S ATOM 128 CE MET A 10 -6.243 -3.638 -4.498 1.00 0.00 C ATOM 0 H MET A 10 -2.385 -6.940 -3.815 1.00 0.00 H new ATOM 0 HA MET A 10 -2.135 -5.315 -6.119 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.505 -4.980 -3.411 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.676 -3.811 -4.706 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.669 -5.495 -6.188 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.326 -6.777 -5.043 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.163 -3.164 -3.520 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.430 -3.293 -5.136 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.198 -3.373 -4.952 1.00 0.00 H new ATOM 136 N VAL A 11 -0.712 -4.222 -3.361 1.00 0.00 N ATOM 137 CA VAL A 11 0.257 -3.270 -2.841 1.00 0.00 C ATOM 138 C VAL A 11 1.585 -3.448 -3.579 1.00 0.00 C ATOM 139 O VAL A 11 2.287 -2.474 -3.845 1.00 0.00 O ATOM 140 CB VAL A 11 0.389 -3.432 -1.326 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.765 -2.972 -0.842 1.00 0.00 C ATOM 142 CG2 VAL A 11 -0.728 -2.683 -0.596 1.00 0.00 C ATOM 0 H VAL A 11 -1.065 -4.889 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.079 -2.248 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 11 0.290 -4.492 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.831 -3.098 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.539 -3.568 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.907 -1.921 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.611 -2.814 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.675 -1.622 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.695 -3.079 -0.907 1.00 0.00 H new ATOM 152 N MET A 12 1.891 -4.699 -3.890 1.00 0.00 N ATOM 153 CA MET A 12 3.123 -5.017 -4.592 1.00 0.00 C ATOM 154 C MET A 12 3.145 -4.372 -5.978 1.00 0.00 C ATOM 155 O MET A 12 4.186 -4.334 -6.633 1.00 0.00 O ATOM 156 CB MET A 12 3.254 -6.535 -4.731 1.00 0.00 C ATOM 157 CG MET A 12 4.092 -7.120 -3.593 1.00 0.00 C ATOM 158 SD MET A 12 5.696 -7.609 -4.204 1.00 0.00 S ATOM 159 CE MET A 12 6.587 -7.749 -2.664 1.00 0.00 C ATOM 0 H MET A 12 1.307 -5.505 -3.669 1.00 0.00 H new ATOM 0 HA MET A 12 3.960 -4.623 -4.016 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.264 -6.991 -4.729 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.715 -6.778 -5.689 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.206 -6.383 -2.798 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.581 -7.980 -3.159 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.615 -8.049 -2.865 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.583 -6.786 -2.153 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.107 -8.497 -2.033 1.00 0.00 H new ATOM 167 N SER A 13 1.984 -3.881 -6.387 1.00 0.00 N ATOM 168 CA SER A 13 1.858 -3.241 -7.685 1.00 0.00 C ATOM 169 C SER A 13 1.840 -1.720 -7.518 1.00 0.00 C ATOM 170 O SER A 13 1.769 -0.984 -8.502 1.00 0.00 O ATOM 171 CB SER A 13 0.594 -3.709 -8.410 1.00 0.00 C ATOM 172 OG SER A 13 0.402 -3.024 -9.644 1.00 0.00 O ATOM 0 H SER A 13 1.122 -3.914 -5.842 1.00 0.00 H new ATOM 0 HA SER A 13 2.718 -3.525 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.659 -4.781 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.272 -3.549 -7.768 1.00 0.00 H new ATOM 0 HG SER A 13 0.773 -2.120 -9.577 1.00 0.00 H new ATOM 177 N LEU A 14 1.907 -1.293 -6.266 1.00 0.00 N ATOM 178 CA LEU A 14 1.900 0.127 -5.957 1.00 0.00 C ATOM 179 C LEU A 14 3.314 0.687 -6.119 1.00 0.00 C ATOM 180 O LEU A 14 4.295 -0.028 -5.922 1.00 0.00 O ATOM 181 CB LEU A 14 1.297 0.371 -4.572 1.00 0.00 C ATOM 182 CG LEU A 14 -0.167 -0.038 -4.395 1.00 0.00 C ATOM 183 CD1 LEU A 14 -0.606 0.110 -2.937 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.073 0.744 -5.349 1.00 0.00 C ATOM 0 H LEU A 14 1.966 -1.906 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 14 1.261 0.666 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.895 -0.168 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.387 1.432 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.261 -1.093 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.650 -0.187 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.013 -0.526 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.494 1.149 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.108 0.435 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.981 1.811 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.776 0.544 -6.379 1.00 0.00 H new ATOM 195 N ARG A 15 3.375 1.961 -6.477 1.00 0.00 N ATOM 196 CA ARG A 15 4.652 2.626 -6.669 1.00 0.00 C ATOM 197 C ARG A 15 5.106 3.288 -5.367 1.00 0.00 C ATOM 198 O ARG A 15 4.346 3.354 -4.401 1.00 0.00 O ATOM 199 CB ARG A 15 4.563 3.685 -7.768 1.00 0.00 C ATOM 200 CG ARG A 15 3.659 4.844 -7.342 1.00 0.00 C ATOM 201 CD ARG A 15 3.113 5.590 -8.561 1.00 0.00 C ATOM 202 NE ARG A 15 4.033 6.687 -8.937 1.00 0.00 N ATOM 203 CZ ARG A 15 3.761 7.608 -9.872 1.00 0.00 C ATOM 204 NH1 ARG A 15 2.596 7.569 -10.532 1.00 0.00 N ATOM 205 NH2 ARG A 15 4.656 8.567 -10.146 1.00 0.00 N ATOM 0 H ARG A 15 2.559 2.551 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 15 5.378 1.870 -6.969 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.560 4.062 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.176 3.234 -8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.831 4.463 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.219 5.533 -6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.995 4.900 -9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.125 5.993 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 15 4.930 6.746 -8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.916 6.838 -10.323 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.389 8.270 -11.243 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.543 8.595 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.450 9.268 -10.857 1.00 0.00 H new ATOM 216 N VAL A 16 6.342 3.765 -5.382 1.00 0.00 N ATOM 217 CA VAL A 16 6.906 4.422 -4.214 1.00 0.00 C ATOM 218 C VAL A 16 5.957 5.529 -3.750 1.00 0.00 C ATOM 219 O VAL A 16 5.676 5.650 -2.558 1.00 0.00 O ATOM 220 CB VAL A 16 8.313 4.932 -4.529 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.722 6.045 -3.562 1.00 0.00 C ATOM 222 CG2 VAL A 16 9.329 3.788 -4.509 1.00 0.00 C ATOM 0 H VAL A 16 6.969 3.710 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 16 7.009 3.716 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 16 8.300 5.350 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.726 6.390 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.022 6.876 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.709 5.663 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.321 4.178 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.338 3.327 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.053 3.043 -5.255 1.00 0.00 H new ATOM 232 N SER A 17 5.492 6.308 -4.714 1.00 0.00 N ATOM 233 CA SER A 17 4.582 7.402 -4.419 1.00 0.00 C ATOM 234 C SER A 17 3.311 6.861 -3.758 1.00 0.00 C ATOM 235 O SER A 17 2.784 7.468 -2.828 1.00 0.00 O ATOM 236 CB SER A 17 4.229 8.183 -5.686 1.00 0.00 C ATOM 237 OG SER A 17 4.669 9.536 -5.618 1.00 0.00 O ATOM 0 H SER A 17 5.728 6.204 -5.701 1.00 0.00 H new ATOM 0 HA SER A 17 5.080 8.085 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.683 7.697 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.150 8.160 -5.838 1.00 0.00 H new ATOM 0 HG SER A 17 4.427 10.001 -6.446 1.00 0.00 H new ATOM 242 N GLU A 18 2.856 5.726 -4.267 1.00 0.00 N ATOM 243 CA GLU A 18 1.657 5.096 -3.738 1.00 0.00 C ATOM 244 C GLU A 18 1.888 4.645 -2.295 1.00 0.00 C ATOM 245 O GLU A 18 1.036 4.851 -1.432 1.00 0.00 O ATOM 246 CB GLU A 18 1.221 3.923 -4.617 1.00 0.00 C ATOM 247 CG GLU A 18 0.444 4.413 -5.841 1.00 0.00 C ATOM 248 CD GLU A 18 0.333 3.312 -6.897 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.373 3.022 -7.526 1.00 0.00 O ATOM 250 OE2 GLU A 18 -0.790 2.785 -7.051 1.00 0.00 O ATOM 0 H GLU A 18 3.295 5.226 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 18 0.851 5.830 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.097 3.360 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.600 3.241 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.553 4.734 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.943 5.283 -6.268 1.00 0.00 H new ATOM 255 N LEU A 19 3.045 4.037 -2.076 1.00 0.00 N ATOM 256 CA LEU A 19 3.398 3.554 -0.752 1.00 0.00 C ATOM 257 C LEU A 19 3.361 4.720 0.237 1.00 0.00 C ATOM 258 O LEU A 19 2.910 4.562 1.371 1.00 0.00 O ATOM 259 CB LEU A 19 4.740 2.821 -0.790 1.00 0.00 C ATOM 260 CG LEU A 19 4.699 1.370 -1.274 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.757 0.530 -0.410 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.332 1.297 -2.758 1.00 0.00 C ATOM 0 H LEU A 19 3.750 3.868 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 19 2.670 2.820 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.418 3.379 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.168 2.837 0.212 1.00 0.00 H new ATOM 0 HG LEU A 19 5.698 0.947 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.747 -0.497 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.102 0.544 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.750 0.944 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.310 0.255 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.350 1.745 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.074 1.840 -3.343 1.00 0.00 H new ATOM 273 N GLN A 20 3.843 5.864 -0.226 1.00 0.00 N ATOM 274 CA GLN A 20 3.872 7.056 0.605 1.00 0.00 C ATOM 275 C GLN A 20 2.461 7.405 1.080 1.00 0.00 C ATOM 276 O GLN A 20 2.284 7.933 2.177 1.00 0.00 O ATOM 277 CB GLN A 20 4.504 8.230 -0.145 1.00 0.00 C ATOM 278 CG GLN A 20 6.008 8.018 -0.328 1.00 0.00 C ATOM 279 CD GLN A 20 6.731 9.353 -0.515 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.127 10.395 -0.711 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.057 9.265 -0.443 1.00 0.00 N ATOM 0 H GLN A 20 4.217 5.991 -1.167 1.00 0.00 H new ATOM 0 HA GLN A 20 4.489 6.852 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.028 8.343 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.328 9.155 0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.414 7.499 0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.186 7.379 -1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.500 8.361 -0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.630 10.101 -0.554 1.00 0.00 H new ATOM 288 N VAL A 21 1.491 7.095 0.232 1.00 0.00 N ATOM 289 CA VAL A 21 0.100 7.369 0.551 1.00 0.00 C ATOM 290 C VAL A 21 -0.381 6.374 1.609 1.00 0.00 C ATOM 291 O VAL A 21 -1.095 6.746 2.538 1.00 0.00 O ATOM 292 CB VAL A 21 -0.745 7.343 -0.723 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.630 6.096 -0.769 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.585 8.616 -0.850 1.00 0.00 C ATOM 0 H VAL A 21 1.641 6.656 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.005 8.369 0.973 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.066 7.303 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.220 6.102 -1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.004 5.204 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.297 6.092 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.176 8.572 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.251 8.700 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.927 9.484 -0.885 1.00 0.00 H new ATOM 304 N LEU A 22 0.029 5.127 1.432 1.00 0.00 N ATOM 305 CA LEU A 22 -0.351 4.074 2.359 1.00 0.00 C ATOM 306 C LEU A 22 0.135 4.438 3.763 1.00 0.00 C ATOM 307 O LEU A 22 -0.622 4.345 4.729 1.00 0.00 O ATOM 308 CB LEU A 22 0.153 2.716 1.865 1.00 0.00 C ATOM 309 CG LEU A 22 -0.131 2.388 0.398 1.00 0.00 C ATOM 310 CD1 LEU A 22 0.442 1.021 0.021 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.628 2.485 0.096 1.00 0.00 C ATOM 0 H LEU A 22 0.621 4.822 0.660 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.436 3.984 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.230 2.671 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.294 1.938 2.484 1.00 0.00 H new ATOM 0 HG LEU A 22 0.372 3.130 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.226 0.812 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.521 1.024 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.012 0.251 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.804 2.247 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.172 1.780 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.976 3.497 0.302 1.00 0.00 H new ATOM 322 N LEU A 23 1.394 4.844 3.832 1.00 0.00 N ATOM 323 CA LEU A 23 1.990 5.222 5.102 1.00 0.00 C ATOM 324 C LEU A 23 1.481 6.607 5.507 1.00 0.00 C ATOM 325 O LEU A 23 1.109 6.823 6.660 1.00 0.00 O ATOM 326 CB LEU A 23 3.514 5.124 5.029 1.00 0.00 C ATOM 327 CG LEU A 23 4.074 3.893 4.314 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.604 3.927 4.279 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.543 2.604 4.943 1.00 0.00 C ATOM 0 H LEU A 23 2.018 4.920 3.029 1.00 0.00 H new ATOM 0 HA LEU A 23 1.687 4.529 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.892 6.014 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.908 5.140 6.045 1.00 0.00 H new ATOM 0 HG LEU A 23 3.728 3.912 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.976 3.041 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.936 4.820 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.991 3.945 5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.957 1.744 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.838 2.563 5.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.456 2.585 4.871 1.00 0.00 H new ATOM 340 N GLY A 24 1.482 7.510 4.537 1.00 0.00 N ATOM 341 CA GLY A 24 1.026 8.868 4.779 1.00 0.00 C ATOM 342 C GLY A 24 -0.400 8.876 5.333 1.00 0.00 C ATOM 343 O GLY A 24 -0.693 9.588 6.293 1.00 0.00 O ATOM 0 H GLY A 24 1.791 7.328 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.696 9.361 5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.063 9.439 3.851 1.00 0.00 H new ATOM 347 N TYR A 25 -1.250 8.078 4.704 1.00 0.00 N ATOM 348 CA TYR A 25 -2.639 7.985 5.123 1.00 0.00 C ATOM 349 C TYR A 25 -2.765 7.209 6.435 1.00 0.00 C ATOM 350 O TYR A 25 -3.822 7.215 7.064 1.00 0.00 O ATOM 351 CB TYR A 25 -3.362 7.213 4.016 1.00 0.00 C ATOM 352 CG TYR A 25 -4.858 7.021 4.268 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.673 8.118 4.465 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.394 5.749 4.299 1.00 0.00 C ATOM 355 CE1 TYR A 25 -7.081 7.935 4.701 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.803 5.567 4.537 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.577 6.669 4.727 1.00 0.00 C ATOM 358 OH TYR A 25 -8.907 6.497 4.950 1.00 0.00 O ATOM 0 H TYR A 25 -1.004 7.490 3.908 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.059 8.978 5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.228 7.741 3.072 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.894 6.235 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.254 9.113 4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.757 4.891 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.730 8.785 4.854 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.235 4.578 4.564 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.279 5.901 4.267 1.00 0.00 H new ATOM 367 N ALA A 26 -1.673 6.559 6.808 1.00 0.00 N ATOM 368 CA ALA A 26 -1.648 5.780 8.035 1.00 0.00 C ATOM 369 C ALA A 26 -0.853 6.538 9.100 1.00 0.00 C ATOM 370 O ALA A 26 -0.852 6.155 10.269 1.00 0.00 O ATOM 371 CB ALA A 26 -1.064 4.395 7.748 1.00 0.00 C ATOM 0 H ALA A 26 -0.799 6.555 6.283 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.658 5.636 8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.045 3.810 8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.681 3.886 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.049 4.500 7.364 1.00 0.00 H new ATOM 377 N GLY A 27 -0.196 7.600 8.658 1.00 0.00 N ATOM 378 CA GLY A 27 0.601 8.416 9.558 1.00 0.00 C ATOM 379 C GLY A 27 2.049 7.924 9.607 1.00 0.00 C ATOM 380 O GLY A 27 2.972 8.717 9.786 1.00 0.00 O ATOM 0 H GLY A 27 -0.199 7.914 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.577 9.455 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.170 8.388 10.559 1.00 0.00 H new ATOM 384 N ARG A 28 2.202 6.618 9.444 1.00 0.00 N ATOM 385 CA ARG A 28 3.523 6.011 9.467 1.00 0.00 C ATOM 386 C ARG A 28 4.510 6.857 8.659 1.00 0.00 C ATOM 387 O ARG A 28 4.105 7.642 7.804 1.00 0.00 O ATOM 388 CB ARG A 28 3.487 4.594 8.894 1.00 0.00 C ATOM 389 CG ARG A 28 2.973 3.594 9.931 1.00 0.00 C ATOM 390 CD ARG A 28 3.972 3.433 11.079 1.00 0.00 C ATOM 391 NE ARG A 28 3.635 4.365 12.178 1.00 0.00 N ATOM 392 CZ ARG A 28 4.320 4.453 13.327 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.383 3.664 13.534 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.942 5.328 14.268 1.00 0.00 N ATOM 0 H ARG A 28 1.434 5.963 9.296 1.00 0.00 H new ATOM 0 HA ARG A 28 3.848 5.962 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.846 4.571 8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.486 4.304 8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.014 3.932 10.323 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.801 2.628 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.956 2.406 11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.983 3.629 10.722 1.00 0.00 H new ATOM 0 HE ARG A 28 2.830 4.979 12.053 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.670 2.997 12.818 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.905 3.730 14.408 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.132 5.928 14.111 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.464 5.394 15.142 1.00 0.00 H new ATOM 405 N ASN A 29 5.786 6.666 8.959 1.00 0.00 N ATOM 406 CA ASN A 29 6.834 7.401 8.271 1.00 0.00 C ATOM 407 C ASN A 29 7.094 6.755 6.909 1.00 0.00 C ATOM 408 O ASN A 29 6.990 5.538 6.765 1.00 0.00 O ATOM 409 CB ASN A 29 8.141 7.370 9.067 1.00 0.00 C ATOM 410 CG ASN A 29 9.214 8.227 8.391 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.234 7.743 7.933 1.00 0.00 O ATOM 412 ND2 ASN A 29 8.926 9.526 8.357 1.00 0.00 N ATOM 0 H ASN A 29 6.118 6.013 9.669 1.00 0.00 H new ATOM 0 HA ASN A 29 6.504 8.434 8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.964 7.734 10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.493 6.342 9.155 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.579 10.182 7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.053 9.865 8.760 1.00 0.00 H new ATOM 418 N LYS A 30 7.428 7.599 5.944 1.00 0.00 N ATOM 419 CA LYS A 30 7.704 7.126 4.598 1.00 0.00 C ATOM 420 C LYS A 30 8.992 7.774 4.088 1.00 0.00 C ATOM 421 O LYS A 30 9.057 8.992 3.926 1.00 0.00 O ATOM 422 CB LYS A 30 6.496 7.362 3.689 1.00 0.00 C ATOM 423 CG LYS A 30 6.307 8.853 3.405 1.00 0.00 C ATOM 424 CD LYS A 30 4.837 9.257 3.545 1.00 0.00 C ATOM 425 CE LYS A 30 4.678 10.777 3.480 1.00 0.00 C ATOM 426 NZ LYS A 30 3.342 11.135 2.954 1.00 0.00 N ATOM 0 H LYS A 30 7.514 8.608 6.067 1.00 0.00 H new ATOM 0 HA LYS A 30 7.868 6.048 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.632 6.824 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.598 6.961 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.916 9.438 4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.656 9.082 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.251 8.792 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.443 8.887 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.811 11.206 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.453 11.203 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.443 11.558 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.754 10.280 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.889 11.819 3.593 1.00 0.00 H new ATOM 436 N HIS A 31 9.987 6.931 3.850 1.00 0.00 N ATOM 437 CA HIS A 31 11.270 7.406 3.362 1.00 0.00 C ATOM 438 C HIS A 31 12.182 6.214 3.071 1.00 0.00 C ATOM 439 O HIS A 31 12.735 5.609 3.989 1.00 0.00 O ATOM 440 CB HIS A 31 11.891 8.401 4.346 1.00 0.00 C ATOM 441 CG HIS A 31 11.855 9.835 3.876 1.00 0.00 C ATOM 442 ND1 HIS A 31 12.420 10.246 2.681 1.00 0.00 N ATOM 443 CD2 HIS A 31 11.313 10.948 4.449 1.00 0.00 C ATOM 444 CE1 HIS A 31 12.223 11.551 2.553 1.00 0.00 C ATOM 445 NE2 HIS A 31 11.538 11.983 3.650 1.00 0.00 N ATOM 0 H HIS A 31 9.930 5.922 3.986 1.00 0.00 H new ATOM 0 HA HIS A 31 11.129 7.948 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.367 8.329 5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.927 8.116 4.530 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.789 10.981 5.393 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.548 12.164 1.725 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.246 12.944 3.827 1.00 0.00 H new ATOM 452 N GLY A 32 12.312 5.909 1.787 1.00 0.00 N ATOM 453 CA GLY A 32 13.148 4.799 1.362 1.00 0.00 C ATOM 454 C GLY A 32 12.769 4.334 -0.045 1.00 0.00 C ATOM 455 O GLY A 32 11.983 4.989 -0.728 1.00 0.00 O ATOM 0 H GLY A 32 11.852 6.412 1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.195 5.101 1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.043 3.971 2.063 1.00 0.00 H new ATOM 459 N ARG A 33 13.345 3.208 -0.437 1.00 0.00 N ATOM 460 CA ARG A 33 13.077 2.648 -1.751 1.00 0.00 C ATOM 461 C ARG A 33 11.720 1.942 -1.761 1.00 0.00 C ATOM 462 O ARG A 33 11.072 1.819 -0.722 1.00 0.00 O ATOM 463 CB ARG A 33 14.165 1.652 -2.158 1.00 0.00 C ATOM 464 CG ARG A 33 15.463 2.376 -2.520 1.00 0.00 C ATOM 465 CD ARG A 33 15.810 2.175 -3.997 1.00 0.00 C ATOM 466 NE ARG A 33 16.045 3.484 -4.645 1.00 0.00 N ATOM 467 CZ ARG A 33 15.070 4.325 -5.016 1.00 0.00 C ATOM 468 NH1 ARG A 33 13.788 3.999 -4.806 1.00 0.00 N ATOM 469 NH2 ARG A 33 15.378 5.492 -5.598 1.00 0.00 N ATOM 0 H ARG A 33 13.997 2.668 0.132 1.00 0.00 H new ATOM 0 HA ARG A 33 13.068 3.471 -2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.349 0.955 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.824 1.063 -3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.361 3.440 -2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.277 2.004 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.698 1.550 -4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.998 1.651 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 33 17.010 3.764 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.554 3.110 -4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.046 4.639 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.354 5.740 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.636 6.132 -5.881 1.00 0.00 H new ATOM 480 N LYS A 34 11.329 1.496 -2.946 1.00 0.00 N ATOM 481 CA LYS A 34 10.060 0.805 -3.104 1.00 0.00 C ATOM 482 C LYS A 34 10.082 -0.485 -2.283 1.00 0.00 C ATOM 483 O LYS A 34 9.125 -0.788 -1.573 1.00 0.00 O ATOM 484 CB LYS A 34 9.751 0.586 -4.587 1.00 0.00 C ATOM 485 CG LYS A 34 8.285 0.200 -4.790 1.00 0.00 C ATOM 486 CD LYS A 34 8.129 -0.755 -5.974 1.00 0.00 C ATOM 487 CE LYS A 34 8.532 -2.180 -5.587 1.00 0.00 C ATOM 488 NZ LYS A 34 8.155 -3.133 -6.655 1.00 0.00 N ATOM 0 H LYS A 34 11.868 1.600 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 34 9.243 1.415 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.972 1.495 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.396 -0.198 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.901 -0.271 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.689 1.097 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.095 -0.747 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.745 -0.412 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.607 -2.226 -5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.046 -2.461 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.435 -4.095 -6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.126 -3.101 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.639 -2.873 -7.538 1.00 0.00 H new ATOM 498 N HIS A 35 11.183 -1.211 -2.408 1.00 0.00 N ATOM 499 CA HIS A 35 11.341 -2.462 -1.687 1.00 0.00 C ATOM 500 C HIS A 35 11.216 -2.207 -0.184 1.00 0.00 C ATOM 501 O HIS A 35 10.543 -2.956 0.522 1.00 0.00 O ATOM 502 CB HIS A 35 12.657 -3.145 -2.065 1.00 0.00 C ATOM 503 CG HIS A 35 12.591 -4.653 -2.058 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.288 -5.438 -2.960 1.00 0.00 N ATOM 505 CD2 HIS A 35 11.906 -5.511 -1.249 1.00 0.00 C ATOM 506 CE1 HIS A 35 13.025 -6.710 -2.697 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.168 -6.753 -1.636 1.00 0.00 N ATOM 0 H HIS A 35 11.975 -0.956 -2.998 1.00 0.00 H new ATOM 0 HA HIS A 35 10.546 -3.152 -1.971 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.956 -2.809 -3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.434 -2.822 -1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.260 -5.228 -0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.420 -7.563 -3.229 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.791 -7.600 -1.211 1.00 0.00 H new ATOM 514 N GLU A 36 11.874 -1.147 0.260 1.00 0.00 N ATOM 515 CA GLU A 36 11.845 -0.784 1.668 1.00 0.00 C ATOM 516 C GLU A 36 10.427 -0.388 2.085 1.00 0.00 C ATOM 517 O GLU A 36 9.951 -0.793 3.143 1.00 0.00 O ATOM 518 CB GLU A 36 12.838 0.342 1.964 1.00 0.00 C ATOM 519 CG GLU A 36 14.280 -0.157 1.858 1.00 0.00 C ATOM 520 CD GLU A 36 15.036 0.066 3.169 1.00 0.00 C ATOM 521 OE1 GLU A 36 15.159 1.248 3.559 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.474 -0.949 3.751 1.00 0.00 O ATOM 0 H GLU A 36 12.430 -0.528 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 36 12.146 -1.653 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.681 1.163 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.658 0.736 2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.284 -1.218 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.790 0.363 1.047 1.00 0.00 H new ATOM 527 N LEU A 37 9.791 0.399 1.229 1.00 0.00 N ATOM 528 CA LEU A 37 8.437 0.855 1.496 1.00 0.00 C ATOM 529 C LEU A 37 7.480 -0.336 1.419 1.00 0.00 C ATOM 530 O LEU A 37 6.588 -0.474 2.254 1.00 0.00 O ATOM 531 CB LEU A 37 8.065 2.005 0.557 1.00 0.00 C ATOM 532 CG LEU A 37 8.735 3.350 0.847 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.860 4.186 -0.428 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.997 4.103 1.956 1.00 0.00 C ATOM 0 H LEU A 37 10.188 0.732 0.351 1.00 0.00 H new ATOM 0 HA LEU A 37 8.362 1.261 2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.313 1.710 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.985 2.144 0.595 1.00 0.00 H new ATOM 0 HG LEU A 37 9.746 3.157 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.339 5.137 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.462 3.646 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.868 4.371 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.494 5.055 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.967 4.285 1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.004 3.506 2.868 1.00 0.00 H new ATOM 545 N LEU A 38 7.697 -1.165 0.409 1.00 0.00 N ATOM 546 CA LEU A 38 6.864 -2.339 0.213 1.00 0.00 C ATOM 547 C LEU A 38 6.970 -3.246 1.440 1.00 0.00 C ATOM 548 O LEU A 38 5.964 -3.766 1.921 1.00 0.00 O ATOM 549 CB LEU A 38 7.224 -3.038 -1.100 1.00 0.00 C ATOM 550 CG LEU A 38 6.304 -2.750 -2.288 1.00 0.00 C ATOM 551 CD1 LEU A 38 4.963 -3.468 -2.130 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.127 -1.244 -2.492 1.00 0.00 C ATOM 0 H LEU A 38 8.438 -1.047 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 38 5.817 -2.051 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.239 -2.751 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.233 -4.114 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 38 6.776 -3.144 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.328 -3.246 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.131 -4.543 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.473 -3.127 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.469 -1.067 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.688 -0.805 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.098 -0.786 -2.683 1.00 0.00 H new ATOM 563 N THR A 39 8.197 -3.407 1.913 1.00 0.00 N ATOM 564 CA THR A 39 8.447 -4.241 3.077 1.00 0.00 C ATOM 565 C THR A 39 7.636 -3.743 4.275 1.00 0.00 C ATOM 566 O THR A 39 7.046 -4.538 5.003 1.00 0.00 O ATOM 567 CB THR A 39 9.956 -4.259 3.330 1.00 0.00 C ATOM 568 OG1 THR A 39 10.484 -4.992 2.228 1.00 0.00 O ATOM 569 CG2 THR A 39 10.335 -5.099 4.552 1.00 0.00 C ATOM 0 H THR A 39 9.029 -2.974 1.512 1.00 0.00 H new ATOM 0 HA THR A 39 8.119 -5.266 2.907 1.00 0.00 H new ATOM 0 HB THR A 39 10.313 -3.238 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.467 -4.432 1.424 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.416 -5.078 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.851 -4.690 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.008 -6.128 4.402 1.00 0.00 H new ATOM 577 N LYS A 40 7.633 -2.428 4.441 1.00 0.00 N ATOM 578 CA LYS A 40 6.904 -1.814 5.539 1.00 0.00 C ATOM 579 C LYS A 40 5.402 -1.897 5.257 1.00 0.00 C ATOM 580 O LYS A 40 4.617 -2.219 6.146 1.00 0.00 O ATOM 581 CB LYS A 40 7.408 -0.390 5.785 1.00 0.00 C ATOM 582 CG LYS A 40 6.250 0.610 5.765 1.00 0.00 C ATOM 583 CD LYS A 40 6.648 1.923 6.442 1.00 0.00 C ATOM 584 CE LYS A 40 7.976 2.445 5.888 1.00 0.00 C ATOM 585 NZ LYS A 40 8.522 3.507 6.763 1.00 0.00 N ATOM 0 H LYS A 40 8.123 -1.771 3.834 1.00 0.00 H new ATOM 0 HA LYS A 40 7.084 -2.355 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.919 -0.342 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.139 -0.122 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.950 0.804 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.386 0.182 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.867 2.668 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.734 1.770 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.691 1.626 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.828 2.836 4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.550 3.578 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.077 4.416 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.323 3.274 7.757 1.00 0.00 H new ATOM 595 N ALA A 41 5.049 -1.598 4.015 1.00 0.00 N ATOM 596 CA ALA A 41 3.655 -1.634 3.605 1.00 0.00 C ATOM 597 C ALA A 41 3.083 -3.026 3.881 1.00 0.00 C ATOM 598 O ALA A 41 1.920 -3.159 4.259 1.00 0.00 O ATOM 599 CB ALA A 41 3.547 -1.242 2.130 1.00 0.00 C ATOM 0 H ALA A 41 5.703 -1.330 3.280 1.00 0.00 H new ATOM 0 HA ALA A 41 3.068 -0.916 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.502 -1.269 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.940 -0.235 1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.122 -1.943 1.524 1.00 0.00 H new ATOM 605 N LEU A 42 3.926 -4.028 3.682 1.00 0.00 N ATOM 606 CA LEU A 42 3.518 -5.404 3.905 1.00 0.00 C ATOM 607 C LEU A 42 3.367 -5.650 5.408 1.00 0.00 C ATOM 608 O LEU A 42 2.387 -6.250 5.846 1.00 0.00 O ATOM 609 CB LEU A 42 4.488 -6.369 3.219 1.00 0.00 C ATOM 610 CG LEU A 42 4.506 -6.328 1.690 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.594 -7.738 1.104 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.301 -5.556 1.148 1.00 0.00 C ATOM 0 H LEU A 42 4.890 -3.914 3.369 1.00 0.00 H new ATOM 0 HA LEU A 42 2.545 -5.590 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.495 -6.159 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.242 -7.384 3.533 1.00 0.00 H new ATOM 0 HG LEU A 42 5.401 -5.792 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.605 -7.680 0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.508 -8.220 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.732 -8.321 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.338 -5.542 0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.381 -6.042 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.324 -4.534 1.525 1.00 0.00 H new ATOM 623 N HIS A 43 4.351 -5.173 6.155 1.00 0.00 N ATOM 624 CA HIS A 43 4.340 -5.333 7.599 1.00 0.00 C ATOM 625 C HIS A 43 3.194 -4.514 8.197 1.00 0.00 C ATOM 626 O HIS A 43 2.667 -4.858 9.253 1.00 0.00 O ATOM 627 CB HIS A 43 5.702 -4.972 8.197 1.00 0.00 C ATOM 628 CG HIS A 43 6.496 -6.163 8.678 1.00 0.00 C ATOM 629 ND1 HIS A 43 6.071 -6.979 9.712 1.00 0.00 N ATOM 630 CD2 HIS A 43 7.691 -6.666 8.257 1.00 0.00 C ATOM 631 CE1 HIS A 43 6.978 -7.927 9.896 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.982 -7.731 8.993 1.00 0.00 N ATOM 0 H HIS A 43 5.162 -4.675 5.787 1.00 0.00 H new ATOM 0 HA HIS A 43 4.164 -6.379 7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.286 -4.437 7.448 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.551 -4.288 9.032 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.298 -6.265 7.459 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.931 -8.716 10.632 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.818 -8.308 8.899 1.00 0.00 H new ATOM 639 N LEU A 44 2.843 -3.447 7.495 1.00 0.00 N ATOM 640 CA LEU A 44 1.770 -2.576 7.944 1.00 0.00 C ATOM 641 C LEU A 44 0.497 -3.403 8.140 1.00 0.00 C ATOM 642 O LEU A 44 -0.313 -3.102 9.016 1.00 0.00 O ATOM 643 CB LEU A 44 1.596 -1.400 6.980 1.00 0.00 C ATOM 644 CG LEU A 44 1.992 -0.025 7.523 1.00 0.00 C ATOM 645 CD1 LEU A 44 1.422 1.093 6.649 1.00 0.00 C ATOM 646 CD2 LEU A 44 1.579 0.126 8.989 1.00 0.00 C ATOM 0 H LEU A 44 3.282 -3.166 6.619 1.00 0.00 H new ATOM 0 HA LEU A 44 2.016 -2.134 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.185 -1.599 6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.551 -1.360 6.671 1.00 0.00 H new ATOM 0 HG LEU A 44 3.078 0.058 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.718 2.060 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.807 0.994 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.334 1.023 6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.872 1.112 9.350 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.498 0.014 9.076 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.072 -0.641 9.587 1.00 0.00 H new ATOM 657 N LEU A 45 0.362 -4.428 7.312 1.00 0.00 N ATOM 658 CA LEU A 45 -0.798 -5.300 7.384 1.00 0.00 C ATOM 659 C LEU A 45 -0.741 -6.112 8.679 1.00 0.00 C ATOM 660 O LEU A 45 -1.776 -6.477 9.234 1.00 0.00 O ATOM 661 CB LEU A 45 -0.902 -6.160 6.123 1.00 0.00 C ATOM 662 CG LEU A 45 -1.318 -5.429 4.845 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.197 -5.463 3.804 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.629 -5.992 4.294 1.00 0.00 C ATOM 0 H LEU A 45 1.037 -4.674 6.588 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.715 -4.711 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.064 -6.633 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.619 -6.959 6.310 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.496 -4.382 5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.519 -4.936 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.691 -4.979 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.036 -6.498 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.902 -5.455 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.503 -7.050 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.417 -5.872 5.037 1.00 0.00 H new ATOM 675 N LYS A 46 0.480 -6.372 9.123 1.00 0.00 N ATOM 676 CA LYS A 46 0.687 -7.134 10.342 1.00 0.00 C ATOM 677 C LYS A 46 0.779 -6.175 11.530 1.00 0.00 C ATOM 678 O LYS A 46 0.515 -6.560 12.667 1.00 0.00 O ATOM 679 CB LYS A 46 1.900 -8.055 10.200 1.00 0.00 C ATOM 680 CG LYS A 46 2.007 -9.010 11.391 1.00 0.00 C ATOM 681 CD LYS A 46 1.314 -10.341 11.090 1.00 0.00 C ATOM 682 CE LYS A 46 -0.050 -10.417 11.778 1.00 0.00 C ATOM 683 NZ LYS A 46 -1.097 -10.813 10.810 1.00 0.00 N ATOM 0 H LYS A 46 1.336 -6.068 8.660 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.163 -7.791 10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.820 -8.628 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.808 -7.457 10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.056 -9.187 11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.556 -8.552 12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.189 -10.455 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.942 -11.166 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.012 -11.136 12.596 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.298 -9.450 12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.017 -10.860 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.144 -10.112 10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.867 -11.746 10.412 1.00 0.00 H new ATOM 693 N ALA A 47 1.156 -4.941 11.224 1.00 0.00 N ATOM 694 CA ALA A 47 1.288 -3.923 12.252 1.00 0.00 C ATOM 695 C ALA A 47 -0.093 -3.348 12.574 1.00 0.00 C ATOM 696 O ALA A 47 -0.215 -2.436 13.390 1.00 0.00 O ATOM 697 CB ALA A 47 2.272 -2.849 11.785 1.00 0.00 C ATOM 0 H ALA A 47 1.374 -4.624 10.279 1.00 0.00 H new ATOM 0 HA ALA A 47 1.688 -4.354 13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.371 -2.086 12.557 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.245 -3.304 11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.903 -2.392 10.867 1.00 0.00 H new ATOM 703 N GLY A 48 -1.099 -3.905 11.916 1.00 0.00 N ATOM 704 CA GLY A 48 -2.466 -3.460 12.121 1.00 0.00 C ATOM 705 C GLY A 48 -2.796 -2.267 11.221 1.00 0.00 C ATOM 706 O GLY A 48 -2.330 -1.154 11.464 1.00 0.00 O ATOM 0 H GLY A 48 -0.994 -4.661 11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.154 -4.279 11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.609 -3.183 13.165 1.00 0.00 H new ATOM 710 N CYS A 49 -3.595 -2.539 10.201 1.00 0.00 N ATOM 711 CA CYS A 49 -3.992 -1.502 9.263 1.00 0.00 C ATOM 712 C CYS A 49 -5.475 -1.691 8.936 1.00 0.00 C ATOM 713 O CYS A 49 -5.847 -2.649 8.260 1.00 0.00 O ATOM 714 CB CYS A 49 -3.124 -1.517 8.003 1.00 0.00 C ATOM 715 SG CYS A 49 -1.860 -0.196 8.099 1.00 0.00 S ATOM 0 H CYS A 49 -3.979 -3.463 10.003 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.843 -0.522 9.716 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.640 -2.488 7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.747 -1.372 7.120 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.725 0.361 6.932 1.00 0.00 H new ATOM 720 N SER A 50 -6.280 -0.764 9.432 1.00 0.00 N ATOM 721 CA SER A 50 -7.713 -0.817 9.201 1.00 0.00 C ATOM 722 C SER A 50 -7.996 -1.042 7.714 1.00 0.00 C ATOM 723 O SER A 50 -7.084 -0.989 6.891 1.00 0.00 O ATOM 724 CB SER A 50 -8.396 0.466 9.683 1.00 0.00 C ATOM 725 OG SER A 50 -9.169 0.249 10.861 1.00 0.00 O ATOM 0 H SER A 50 -5.967 0.028 9.993 1.00 0.00 H new ATOM 0 HA SER A 50 -8.121 -1.651 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.641 1.227 9.880 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.040 0.853 8.893 1.00 0.00 H new ATOM 0 HG SER A 50 -9.587 1.091 11.138 1.00 0.00 H new ATOM 730 N PRO A 51 -9.297 -1.296 7.409 1.00 0.00 N ATOM 731 CA PRO A 51 -9.712 -1.529 6.036 1.00 0.00 C ATOM 732 C PRO A 51 -9.743 -0.221 5.243 1.00 0.00 C ATOM 733 O PRO A 51 -10.006 -0.226 4.041 1.00 0.00 O ATOM 734 CB PRO A 51 -11.075 -2.192 6.144 1.00 0.00 C ATOM 735 CG PRO A 51 -11.578 -1.885 7.546 1.00 0.00 C ATOM 736 CD PRO A 51 -10.404 -1.366 8.358 1.00 0.00 C ATOM 0 HA PRO A 51 -9.017 -2.166 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.759 -1.803 5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.000 -3.267 5.983 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.376 -1.143 7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.995 -2.781 8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.621 -0.387 8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.172 -2.033 9.188 1.00 0.00 H new ATOM 741 N ALA A 52 -9.473 0.868 5.947 1.00 0.00 N ATOM 742 CA ALA A 52 -9.468 2.181 5.324 1.00 0.00 C ATOM 743 C ALA A 52 -8.301 2.267 4.339 1.00 0.00 C ATOM 744 O ALA A 52 -8.467 2.732 3.212 1.00 0.00 O ATOM 745 CB ALA A 52 -9.399 3.259 6.406 1.00 0.00 C ATOM 0 H ALA A 52 -9.256 0.868 6.944 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.387 2.343 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.395 4.244 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.265 3.172 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.487 3.131 6.990 1.00 0.00 H new ATOM 751 N VAL A 53 -7.144 1.812 4.798 1.00 0.00 N ATOM 752 CA VAL A 53 -5.950 1.832 3.971 1.00 0.00 C ATOM 753 C VAL A 53 -6.115 0.837 2.820 1.00 0.00 C ATOM 754 O VAL A 53 -5.617 1.069 1.720 1.00 0.00 O ATOM 755 CB VAL A 53 -4.714 1.555 4.830 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.429 1.797 4.035 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.735 2.394 6.109 1.00 0.00 C ATOM 0 H VAL A 53 -7.009 1.427 5.733 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.807 2.818 3.529 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.736 0.504 5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.566 1.593 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.407 1.136 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.397 2.834 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.846 2.178 6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.750 3.453 5.850 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.625 2.150 6.689 1.00 0.00 H new ATOM 767 N GLN A 54 -6.814 -0.248 3.115 1.00 0.00 N ATOM 768 CA GLN A 54 -7.049 -1.279 2.119 1.00 0.00 C ATOM 769 C GLN A 54 -7.803 -0.697 0.921 1.00 0.00 C ATOM 770 O GLN A 54 -7.495 -1.017 -0.226 1.00 0.00 O ATOM 771 CB GLN A 54 -7.810 -2.462 2.722 1.00 0.00 C ATOM 772 CG GLN A 54 -6.974 -3.159 3.798 1.00 0.00 C ATOM 773 CD GLN A 54 -7.435 -4.604 3.999 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.252 -5.131 3.261 1.00 0.00 O ATOM 775 NE2 GLN A 54 -6.868 -5.213 5.035 1.00 0.00 N ATOM 0 H GLN A 54 -7.225 -0.436 4.029 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.084 -1.649 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.748 -2.114 3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.065 -3.174 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.922 -3.145 3.512 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.056 -2.613 4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.191 -4.714 5.612 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.109 -6.180 5.253 1.00 0.00 H new ATOM 782 N MET A 55 -8.777 0.148 1.228 1.00 0.00 N ATOM 783 CA MET A 55 -9.576 0.777 0.191 1.00 0.00 C ATOM 784 C MET A 55 -8.704 1.632 -0.731 1.00 0.00 C ATOM 785 O MET A 55 -8.868 1.602 -1.949 1.00 0.00 O ATOM 786 CB MET A 55 -10.650 1.656 0.837 1.00 0.00 C ATOM 787 CG MET A 55 -11.717 0.801 1.524 1.00 0.00 C ATOM 788 SD MET A 55 -12.571 -0.198 0.316 1.00 0.00 S ATOM 789 CE MET A 55 -14.049 -0.597 1.232 1.00 0.00 C ATOM 0 H MET A 55 -9.030 0.411 2.180 1.00 0.00 H new ATOM 0 HA MET A 55 -10.044 -0.006 -0.406 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.189 2.324 1.565 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.116 2.285 0.078 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.254 0.161 2.275 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.428 1.442 2.046 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.699 -1.222 0.619 1.00 0.00 H new ATOM 0 HE2 MET A 55 -13.780 -1.135 2.141 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.572 0.322 1.496 1.00 0.00 H new ATOM 797 N LYS A 56 -7.795 2.373 -0.114 1.00 0.00 N ATOM 798 CA LYS A 56 -6.897 3.235 -0.863 1.00 0.00 C ATOM 799 C LYS A 56 -6.038 2.379 -1.797 1.00 0.00 C ATOM 800 O LYS A 56 -5.720 2.796 -2.909 1.00 0.00 O ATOM 801 CB LYS A 56 -6.083 4.117 0.086 1.00 0.00 C ATOM 802 CG LYS A 56 -5.517 5.334 -0.648 1.00 0.00 C ATOM 803 CD LYS A 56 -6.622 6.338 -0.982 1.00 0.00 C ATOM 804 CE LYS A 56 -6.561 7.550 -0.050 1.00 0.00 C ATOM 805 NZ LYS A 56 -7.749 7.586 0.834 1.00 0.00 N ATOM 0 H LYS A 56 -7.661 2.394 0.897 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.464 3.923 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.713 4.447 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.268 3.537 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.759 5.815 -0.030 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.024 5.013 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.521 6.665 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.595 5.856 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.654 7.507 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.510 8.466 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.691 8.415 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.611 7.649 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.780 6.720 1.409 1.00 0.00 H new ATOM 815 N ILE A 57 -5.687 1.199 -1.308 1.00 0.00 N ATOM 816 CA ILE A 57 -4.870 0.281 -2.085 1.00 0.00 C ATOM 817 C ILE A 57 -5.605 -0.080 -3.377 1.00 0.00 C ATOM 818 O ILE A 57 -4.980 -0.250 -4.423 1.00 0.00 O ATOM 819 CB ILE A 57 -4.479 -0.934 -1.240 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.555 -0.527 -0.090 1.00 0.00 C ATOM 821 CG2 ILE A 57 -3.863 -2.031 -2.110 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.325 -1.698 0.867 1.00 0.00 C ATOM 0 H ILE A 57 -5.953 0.857 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.932 0.756 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.384 -1.347 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.600 -0.186 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.991 0.311 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.594 -2.883 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.585 -2.347 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.970 -1.646 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.665 -1.383 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.279 -2.021 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.866 -2.526 0.326 1.00 0.00 H new ATOM 833 N LYS A 58 -6.920 -0.186 -3.263 1.00 0.00 N ATOM 834 CA LYS A 58 -7.746 -0.523 -4.410 1.00 0.00 C ATOM 835 C LYS A 58 -7.754 0.651 -5.390 1.00 0.00 C ATOM 836 O LYS A 58 -7.621 0.458 -6.598 1.00 0.00 O ATOM 837 CB LYS A 58 -9.142 -0.954 -3.956 1.00 0.00 C ATOM 838 CG LYS A 58 -9.099 -2.325 -3.278 1.00 0.00 C ATOM 839 CD LYS A 58 -10.192 -2.446 -2.215 1.00 0.00 C ATOM 840 CE LYS A 58 -9.755 -3.380 -1.084 1.00 0.00 C ATOM 841 NZ LYS A 58 -10.711 -3.309 0.045 1.00 0.00 N ATOM 0 H LYS A 58 -7.435 -0.044 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.330 -1.379 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.548 -0.215 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.813 -0.990 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.225 -3.108 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.122 -2.477 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.421 -1.460 -1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.107 -2.824 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.694 -4.404 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.757 -3.105 -0.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.199 -3.430 0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.186 -2.384 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.420 -4.063 -0.053 1.00 0.00 H new ATOM 851 N GLU A 59 -7.911 1.843 -4.835 1.00 0.00 N ATOM 852 CA GLU A 59 -7.938 3.050 -5.645 1.00 0.00 C ATOM 853 C GLU A 59 -6.601 3.236 -6.365 1.00 0.00 C ATOM 854 O GLU A 59 -6.568 3.456 -7.573 1.00 0.00 O ATOM 855 CB GLU A 59 -8.278 4.275 -4.794 1.00 0.00 C ATOM 856 CG GLU A 59 -9.537 4.030 -3.960 1.00 0.00 C ATOM 857 CD GLU A 59 -10.599 5.094 -4.244 1.00 0.00 C ATOM 858 OE1 GLU A 59 -10.275 6.286 -4.051 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.712 4.692 -4.648 1.00 0.00 O ATOM 0 H GLU A 59 -8.021 2.000 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.721 2.942 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.441 4.509 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.428 5.141 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.939 3.042 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.283 4.039 -2.900 1.00 0.00 H new ATOM 864 N LEU A 60 -5.530 3.140 -5.589 1.00 0.00 N ATOM 865 CA LEU A 60 -4.194 3.296 -6.137 1.00 0.00 C ATOM 866 C LEU A 60 -3.978 2.263 -7.246 1.00 0.00 C ATOM 867 O LEU A 60 -3.491 2.597 -8.324 1.00 0.00 O ATOM 868 CB LEU A 60 -3.147 3.229 -5.023 1.00 0.00 C ATOM 869 CG LEU A 60 -3.343 4.204 -3.860 1.00 0.00 C ATOM 870 CD1 LEU A 60 -2.801 3.617 -2.555 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.724 5.566 -4.176 1.00 0.00 C ATOM 0 H LEU A 60 -5.561 2.956 -4.586 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.081 4.281 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.135 2.215 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.166 3.410 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.413 4.361 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.953 4.330 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.328 2.690 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.736 3.412 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.878 6.240 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.655 5.447 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.197 5.983 -5.065 1.00 0.00 H new ATOM 882 N TYR A 61 -4.352 1.029 -6.941 1.00 0.00 N ATOM 883 CA TYR A 61 -4.207 -0.054 -7.898 1.00 0.00 C ATOM 884 C TYR A 61 -5.097 0.171 -9.121 1.00 0.00 C ATOM 885 O TYR A 61 -4.657 -0.006 -10.256 1.00 0.00 O ATOM 886 CB TYR A 61 -4.665 -1.322 -7.175 1.00 0.00 C ATOM 887 CG TYR A 61 -4.319 -2.619 -7.908 1.00 0.00 C ATOM 888 CD1 TYR A 61 -2.999 -2.987 -8.073 1.00 0.00 C ATOM 889 CD2 TYR A 61 -5.326 -3.419 -8.407 1.00 0.00 C ATOM 890 CE1 TYR A 61 -2.673 -4.207 -8.763 1.00 0.00 C ATOM 891 CE2 TYR A 61 -5.000 -4.640 -9.098 1.00 0.00 C ATOM 892 CZ TYR A 61 -3.690 -4.974 -9.242 1.00 0.00 C ATOM 893 OH TYR A 61 -3.381 -6.127 -9.895 1.00 0.00 O ATOM 0 H TYR A 61 -4.755 0.755 -6.045 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.176 -0.121 -8.246 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.212 -1.346 -6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.744 -1.275 -7.031 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.211 -2.359 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.359 -3.130 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.644 -4.507 -8.898 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.779 -5.276 -9.493 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.206 -6.572 -10.180 1.00 0.00 H new ATOM 902 N ARG A 62 -6.335 0.558 -8.850 1.00 0.00 N ATOM 903 CA ARG A 62 -7.291 0.809 -9.914 1.00 0.00 C ATOM 904 C ARG A 62 -6.815 1.967 -10.793 1.00 0.00 C ATOM 905 O ARG A 62 -6.668 1.811 -12.005 1.00 0.00 O ATOM 906 CB ARG A 62 -8.672 1.144 -9.346 1.00 0.00 C ATOM 907 CG ARG A 62 -9.560 -0.101 -9.293 1.00 0.00 C ATOM 908 CD ARG A 62 -11.041 0.281 -9.272 1.00 0.00 C ATOM 909 NE ARG A 62 -11.480 0.680 -10.628 1.00 0.00 N ATOM 910 CZ ARG A 62 -11.518 1.946 -11.064 1.00 0.00 C ATOM 911 NH1 ARG A 62 -11.143 2.945 -10.254 1.00 0.00 N ATOM 912 NH2 ARG A 62 -11.930 2.213 -12.311 1.00 0.00 N ATOM 0 H ARG A 62 -6.698 0.704 -7.908 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.367 -0.099 -10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.566 1.562 -8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.147 1.908 -9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.356 -0.734 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.319 -0.686 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.637 -0.561 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.204 1.101 -8.572 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.772 -0.056 -11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.829 2.742 -9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.172 3.909 -10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.215 1.452 -12.928 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.959 3.177 -12.643 1.00 0.00 H new ATOM 923 N ARG A 63 -6.587 3.102 -10.150 1.00 0.00 N ATOM 924 CA ARG A 63 -6.130 4.285 -10.858 1.00 0.00 C ATOM 925 C ARG A 63 -5.056 3.910 -11.881 1.00 0.00 C ATOM 926 O ARG A 63 -4.908 4.578 -12.904 1.00 0.00 O ATOM 927 CB ARG A 63 -5.561 5.323 -9.888 1.00 0.00 C ATOM 928 CG ARG A 63 -6.667 6.225 -9.339 1.00 0.00 C ATOM 929 CD ARG A 63 -6.077 7.460 -8.654 1.00 0.00 C ATOM 930 NE ARG A 63 -7.127 8.487 -8.470 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.976 8.516 -7.435 1.00 0.00 C ATOM 932 NH1 ARG A 63 -7.905 7.575 -6.482 1.00 0.00 N ATOM 933 NH2 ARG A 63 -8.898 9.486 -7.350 1.00 0.00 N ATOM 0 H ARG A 63 -6.710 3.228 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.990 4.717 -11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.056 4.818 -9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.812 5.929 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.325 6.534 -10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.277 5.667 -8.629 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.654 7.183 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.262 7.865 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.209 9.219 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.204 6.837 -6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.552 7.598 -5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.953 10.202 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.544 9.507 -6.561 1.00 0.00 H new ATOM 944 N ARG A 64 -4.336 2.843 -11.570 1.00 0.00 N ATOM 945 CA ARG A 64 -3.280 2.371 -12.450 1.00 0.00 C ATOM 946 C ARG A 64 -3.862 1.467 -13.541 1.00 0.00 C ATOM 947 O ARG A 64 -3.570 1.647 -14.721 1.00 0.00 O ATOM 948 CB ARG A 64 -2.217 1.596 -11.668 1.00 0.00 C ATOM 949 CG ARG A 64 -1.413 2.530 -10.763 1.00 0.00 C ATOM 950 CD ARG A 64 -0.006 2.758 -11.321 1.00 0.00 C ATOM 951 NE ARG A 64 0.170 4.182 -11.684 1.00 0.00 N ATOM 952 CZ ARG A 64 1.289 4.688 -12.220 1.00 0.00 C ATOM 953 NH1 ARG A 64 2.338 3.890 -12.458 1.00 0.00 N ATOM 954 NH2 ARG A 64 1.359 5.992 -12.518 1.00 0.00 N ATOM 0 H ARG A 64 -4.463 2.292 -10.721 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.814 3.244 -12.907 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.695 0.823 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.546 1.090 -12.362 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.930 3.485 -10.669 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.346 2.104 -9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.739 2.468 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.153 2.129 -12.197 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.609 4.818 -11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.285 2.897 -12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.190 4.275 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.560 6.600 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.211 6.377 -12.926 1.00 0.00 H new ATOM 965 N PHE A 65 -4.673 0.515 -13.103 1.00 0.00 N ATOM 966 CA PHE A 65 -5.298 -0.416 -14.027 1.00 0.00 C ATOM 967 C PHE A 65 -4.342 -0.788 -15.163 1.00 0.00 C ATOM 968 O PHE A 65 -4.380 -1.908 -15.669 1.00 0.00 O ATOM 969 CB PHE A 65 -6.520 0.290 -14.617 1.00 0.00 C ATOM 970 CG PHE A 65 -7.836 -0.463 -14.407 1.00 0.00 C ATOM 971 CD1 PHE A 65 -8.436 -0.454 -13.186 1.00 0.00 C ATOM 972 CD2 PHE A 65 -8.405 -1.139 -15.440 1.00 0.00 C ATOM 973 CE1 PHE A 65 -9.658 -1.152 -12.991 1.00 0.00 C ATOM 974 CE2 PHE A 65 -9.626 -1.837 -15.245 1.00 0.00 C ATOM 975 CZ PHE A 65 -10.226 -1.830 -14.025 1.00 0.00 C ATOM 0 H PHE A 65 -4.911 0.368 -12.122 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.571 -1.332 -13.503 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.605 1.281 -14.171 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.362 0.434 -15.686 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.984 0.083 -12.366 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.928 -1.145 -16.409 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.136 -1.144 -12.023 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.078 -2.374 -16.066 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.154 -2.363 -13.877 1.00 0.00 H new