USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 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 Set 1.1: A 20 GLN : amide:sc= -0.519 K(o=0.45,f=-17!) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 166:sc= 0.973 (180deg=-0.324) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.029) USER MOD Single : A 10 MET CE :methyl -148:sc= -0.129 (180deg=-1.35) USER MOD Single : A 12 MET CE :methyl -177:sc= 0 (180deg=-0.00611) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.463 K(o=-0.46,f=-2.2) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 34 LYS NZ :NH3+ 149:sc= -0.899 (180deg=-2.75!) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 82:sc= 0.726 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -40:sc= -0.809 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0236 K(o=-0.024,f=-1.5) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ALA A 5 -4.013 -11.679 1.140 1.00 0.00 N ATOM 48 CA ALA A 5 -3.048 -11.985 0.097 1.00 0.00 C ATOM 49 C ALA A 5 -3.334 -11.114 -1.127 1.00 0.00 C ATOM 50 O ALA A 5 -2.433 -10.822 -1.911 1.00 0.00 O ATOM 51 CB ALA A 5 -3.099 -13.480 -0.225 1.00 0.00 C ATOM 0 HA ALA A 5 -2.036 -11.760 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.375 -13.709 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.859 -14.053 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.099 -13.744 -0.568 1.00 0.00 H new ATOM 57 N GLU A 6 -4.594 -10.724 -1.254 1.00 0.00 N ATOM 58 CA GLU A 6 -5.011 -9.892 -2.370 1.00 0.00 C ATOM 59 C GLU A 6 -4.495 -8.464 -2.190 1.00 0.00 C ATOM 60 O GLU A 6 -4.011 -7.850 -3.140 1.00 0.00 O ATOM 61 CB GLU A 6 -6.533 -9.910 -2.529 1.00 0.00 C ATOM 62 CG GLU A 6 -7.013 -8.708 -3.344 1.00 0.00 C ATOM 63 CD GLU A 6 -8.144 -9.106 -4.294 1.00 0.00 C ATOM 64 OE1 GLU A 6 -8.634 -10.246 -4.146 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.491 -8.262 -5.148 1.00 0.00 O ATOM 0 H GLU A 6 -5.340 -10.969 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.579 -10.300 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.840 -10.833 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.005 -9.900 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.358 -7.922 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.181 -8.296 -3.916 1.00 0.00 H new ATOM 70 N LEU A 7 -4.617 -7.975 -0.964 1.00 0.00 N ATOM 71 CA LEU A 7 -4.169 -6.630 -0.647 1.00 0.00 C ATOM 72 C LEU A 7 -2.656 -6.539 -0.852 1.00 0.00 C ATOM 73 O LEU A 7 -2.151 -5.528 -1.338 1.00 0.00 O ATOM 74 CB LEU A 7 -4.624 -6.231 0.758 1.00 0.00 C ATOM 75 CG LEU A 7 -6.132 -6.275 1.013 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.446 -6.040 2.491 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.871 -5.289 0.105 1.00 0.00 C ATOM 0 H LEU A 7 -5.020 -8.487 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.626 -5.907 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.135 -6.888 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.271 -5.220 0.959 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.491 -7.273 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.525 -6.076 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.968 -6.813 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.070 -5.062 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.941 -5.340 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.513 -4.278 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.686 -5.546 -0.938 1.00 0.00 H new ATOM 88 N LYS A 8 -1.974 -7.610 -0.472 1.00 0.00 N ATOM 89 CA LYS A 8 -0.528 -7.663 -0.607 1.00 0.00 C ATOM 90 C LYS A 8 -0.162 -7.713 -2.092 1.00 0.00 C ATOM 91 O LYS A 8 0.773 -7.041 -2.527 1.00 0.00 O ATOM 92 CB LYS A 8 0.044 -8.827 0.206 1.00 0.00 C ATOM 93 CG LYS A 8 1.099 -8.335 1.197 1.00 0.00 C ATOM 94 CD LYS A 8 1.127 -9.214 2.450 1.00 0.00 C ATOM 95 CE LYS A 8 -0.076 -8.924 3.350 1.00 0.00 C ATOM 96 NZ LYS A 8 -0.699 -10.187 3.806 1.00 0.00 N ATOM 0 H LYS A 8 -2.396 -8.447 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.073 -6.762 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.760 -9.329 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.486 -9.563 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.080 -8.341 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.887 -7.303 1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.125 -10.265 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.050 -9.037 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.240 -8.336 4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.808 -8.326 2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.514 -9.972 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.019 -10.734 2.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.003 -10.744 4.342 1.00 0.00 H new ATOM 106 N GLN A 9 -0.916 -8.515 -2.829 1.00 0.00 N ATOM 107 CA GLN A 9 -0.682 -8.660 -4.256 1.00 0.00 C ATOM 108 C GLN A 9 -0.913 -7.327 -4.970 1.00 0.00 C ATOM 109 O GLN A 9 -0.121 -6.930 -5.823 1.00 0.00 O ATOM 110 CB GLN A 9 -1.567 -9.760 -4.847 1.00 0.00 C ATOM 111 CG GLN A 9 -1.779 -9.545 -6.347 1.00 0.00 C ATOM 112 CD GLN A 9 -1.796 -10.880 -7.095 1.00 0.00 C ATOM 113 OE1 GLN A 9 -0.824 -11.616 -7.126 1.00 0.00 O ATOM 114 NE2 GLN A 9 -2.954 -11.149 -7.694 1.00 0.00 N ATOM 0 H GLN A 9 -1.690 -9.071 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 9 0.357 -8.955 -4.406 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.106 -10.733 -4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.531 -9.770 -4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.719 -9.019 -6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.985 -8.912 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -3.728 -10.488 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.067 -12.016 -8.219 1.00 0.00 H new ATOM 121 N MET A 10 -2.002 -6.672 -4.596 1.00 0.00 N ATOM 122 CA MET A 10 -2.348 -5.393 -5.191 1.00 0.00 C ATOM 123 C MET A 10 -1.378 -4.299 -4.739 1.00 0.00 C ATOM 124 O MET A 10 -0.972 -3.456 -5.537 1.00 0.00 O ATOM 125 CB MET A 10 -3.774 -5.010 -4.787 1.00 0.00 C ATOM 126 CG MET A 10 -4.793 -5.977 -5.391 1.00 0.00 C ATOM 127 SD MET A 10 -6.075 -5.065 -6.233 1.00 0.00 S ATOM 128 CE MET A 10 -6.625 -4.006 -4.905 1.00 0.00 C ATOM 0 H MET A 10 -2.657 -7.004 -3.888 1.00 0.00 H new ATOM 0 HA MET A 10 -2.281 -5.487 -6.275 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.862 -5.015 -3.701 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.990 -3.995 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.297 -6.652 -6.089 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.230 -6.595 -4.606 1.00 0.00 H new ATOM 0 HE1 MET A 10 -7.690 -3.805 -5.017 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.448 -4.499 -3.949 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.073 -3.067 -4.936 1.00 0.00 H new ATOM 136 N VAL A 11 -1.035 -4.348 -3.460 1.00 0.00 N ATOM 137 CA VAL A 11 -0.120 -3.372 -2.892 1.00 0.00 C ATOM 138 C VAL A 11 1.262 -3.547 -3.523 1.00 0.00 C ATOM 139 O VAL A 11 1.970 -2.569 -3.759 1.00 0.00 O ATOM 140 CB VAL A 11 -0.101 -3.497 -1.368 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.225 -2.995 -0.792 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.285 -2.757 -0.742 1.00 0.00 C ATOM 0 H VAL A 11 -1.374 -5.048 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.454 -2.359 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.196 -4.554 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.211 -3.095 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.046 -3.585 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.364 -1.947 -1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.247 -2.862 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.235 -1.701 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.217 -3.181 -1.115 1.00 0.00 H new ATOM 152 N MET A 12 1.605 -4.800 -3.781 1.00 0.00 N ATOM 153 CA MET A 12 2.891 -5.116 -4.381 1.00 0.00 C ATOM 154 C MET A 12 3.015 -4.489 -5.771 1.00 0.00 C ATOM 155 O MET A 12 4.104 -4.450 -6.342 1.00 0.00 O ATOM 156 CB MET A 12 3.043 -6.635 -4.491 1.00 0.00 C ATOM 157 CG MET A 12 3.675 -7.215 -3.223 1.00 0.00 C ATOM 158 SD MET A 12 4.944 -8.392 -3.658 1.00 0.00 S ATOM 159 CE MET A 12 6.243 -7.870 -2.551 1.00 0.00 C ATOM 0 H MET A 12 1.015 -5.609 -3.586 1.00 0.00 H new ATOM 0 HA MET A 12 3.678 -4.708 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.067 -7.091 -4.657 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.660 -6.881 -5.355 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.102 -6.414 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.911 -7.699 -2.615 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.136 -8.470 -2.729 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.471 -6.819 -2.728 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.917 -8.002 -1.519 1.00 0.00 H new ATOM 167 N SER A 13 1.887 -4.013 -6.274 1.00 0.00 N ATOM 168 CA SER A 13 1.856 -3.389 -7.586 1.00 0.00 C ATOM 169 C SER A 13 1.832 -1.867 -7.441 1.00 0.00 C ATOM 170 O SER A 13 2.067 -1.143 -8.408 1.00 0.00 O ATOM 171 CB SER A 13 0.647 -3.864 -8.394 1.00 0.00 C ATOM 172 OG SER A 13 1.031 -4.673 -9.503 1.00 0.00 O ATOM 0 H SER A 13 0.986 -4.047 -5.797 1.00 0.00 H new ATOM 0 HA SER A 13 2.757 -3.682 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.022 -4.431 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.088 -3.000 -8.752 1.00 0.00 H new ATOM 0 HG SER A 13 0.231 -4.958 -9.993 1.00 0.00 H new ATOM 177 N LEU A 14 1.547 -1.425 -6.225 1.00 0.00 N ATOM 178 CA LEU A 14 1.490 0.000 -5.941 1.00 0.00 C ATOM 179 C LEU A 14 2.862 0.623 -6.201 1.00 0.00 C ATOM 180 O LEU A 14 3.875 -0.076 -6.209 1.00 0.00 O ATOM 181 CB LEU A 14 0.962 0.243 -4.525 1.00 0.00 C ATOM 182 CG LEU A 14 -0.543 0.055 -4.329 1.00 0.00 C ATOM 183 CD1 LEU A 14 -0.946 0.327 -2.879 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.336 0.915 -5.315 1.00 0.00 C ATOM 0 H LEU A 14 1.353 -2.028 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 14 0.784 0.494 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.484 -0.429 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.222 1.260 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.787 -0.986 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.021 0.186 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.419 -0.363 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.685 1.352 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.403 0.762 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.092 1.966 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.078 0.630 -6.335 1.00 0.00 H new ATOM 195 N ARG A 15 2.853 1.932 -6.407 1.00 0.00 N ATOM 196 CA ARG A 15 4.084 2.657 -6.667 1.00 0.00 C ATOM 197 C ARG A 15 4.628 3.262 -5.371 1.00 0.00 C ATOM 198 O ARG A 15 3.916 3.338 -4.371 1.00 0.00 O ATOM 199 CB ARG A 15 3.862 3.774 -7.689 1.00 0.00 C ATOM 200 CG ARG A 15 4.319 3.342 -9.083 1.00 0.00 C ATOM 201 CD ARG A 15 5.076 4.470 -9.786 1.00 0.00 C ATOM 202 NE ARG A 15 6.530 4.320 -9.563 1.00 0.00 N ATOM 203 CZ ARG A 15 7.471 4.890 -10.329 1.00 0.00 C ATOM 204 NH1 ARG A 15 7.114 5.651 -11.373 1.00 0.00 N ATOM 205 NH2 ARG A 15 8.768 4.699 -10.051 1.00 0.00 N ATOM 0 H ARG A 15 2.012 2.509 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 15 4.806 1.948 -7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.806 4.042 -7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.410 4.665 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.960 2.464 -9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.454 3.053 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.860 4.453 -10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.740 5.435 -9.408 1.00 0.00 H new ATOM 0 HE ARG A 15 6.836 3.747 -8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.127 5.796 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.830 6.085 -11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.039 4.120 -9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.484 5.133 -10.634 1.00 0.00 H new ATOM 216 N VAL A 16 5.885 3.678 -5.429 1.00 0.00 N ATOM 217 CA VAL A 16 6.531 4.274 -4.273 1.00 0.00 C ATOM 218 C VAL A 16 5.666 5.421 -3.745 1.00 0.00 C ATOM 219 O VAL A 16 5.418 5.513 -2.544 1.00 0.00 O ATOM 220 CB VAL A 16 7.950 4.715 -4.636 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.585 5.515 -3.496 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.819 3.512 -5.011 1.00 0.00 C ATOM 0 H VAL A 16 6.473 3.614 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 16 6.627 3.543 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 16 7.885 5.367 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.593 5.816 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.984 6.402 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.630 4.897 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.823 3.853 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.872 2.824 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.382 3.001 -5.869 1.00 0.00 H new ATOM 232 N SER A 17 5.230 6.265 -4.669 1.00 0.00 N ATOM 233 CA SER A 17 4.399 7.402 -4.311 1.00 0.00 C ATOM 234 C SER A 17 3.121 6.918 -3.622 1.00 0.00 C ATOM 235 O SER A 17 2.608 7.582 -2.722 1.00 0.00 O ATOM 236 CB SER A 17 4.053 8.239 -5.543 1.00 0.00 C ATOM 237 OG SER A 17 4.454 9.599 -5.394 1.00 0.00 O ATOM 0 H SER A 17 5.437 6.184 -5.665 1.00 0.00 H new ATOM 0 HA SER A 17 4.960 8.033 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.539 7.812 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.979 8.195 -5.721 1.00 0.00 H new ATOM 0 HG SER A 17 4.217 10.100 -6.202 1.00 0.00 H new ATOM 242 N GLU A 18 2.645 5.766 -4.070 1.00 0.00 N ATOM 243 CA GLU A 18 1.437 5.186 -3.507 1.00 0.00 C ATOM 244 C GLU A 18 1.711 4.648 -2.101 1.00 0.00 C ATOM 245 O GLU A 18 0.910 4.847 -1.189 1.00 0.00 O ATOM 246 CB GLU A 18 0.881 4.088 -4.416 1.00 0.00 C ATOM 247 CG GLU A 18 0.770 4.577 -5.862 1.00 0.00 C ATOM 248 CD GLU A 18 -0.297 5.665 -5.993 1.00 0.00 C ATOM 249 OE1 GLU A 18 -0.110 6.723 -5.354 1.00 0.00 O ATOM 250 OE2 GLU A 18 -1.275 5.414 -6.728 1.00 0.00 O ATOM 0 H GLU A 18 3.074 5.218 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 18 0.682 5.969 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.529 3.213 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.100 3.776 -4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.733 4.966 -6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.523 3.740 -6.515 1.00 0.00 H new ATOM 255 N LEU A 19 2.846 3.977 -1.971 1.00 0.00 N ATOM 256 CA LEU A 19 3.236 3.408 -0.691 1.00 0.00 C ATOM 257 C LEU A 19 3.278 4.516 0.363 1.00 0.00 C ATOM 258 O LEU A 19 2.869 4.308 1.503 1.00 0.00 O ATOM 259 CB LEU A 19 4.551 2.637 -0.827 1.00 0.00 C ATOM 260 CG LEU A 19 4.440 1.210 -1.365 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.534 0.357 -0.475 1.00 0.00 C ATOM 262 CD2 LEU A 19 3.976 1.208 -2.823 1.00 0.00 C ATOM 0 H LEU A 19 3.508 3.814 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 19 2.498 2.678 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.213 3.201 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.029 2.599 0.152 1.00 0.00 H new ATOM 0 HG LEU A 19 5.432 0.759 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.472 -0.653 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.946 0.319 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.537 0.797 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.905 0.181 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.999 1.685 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.693 1.757 -3.434 1.00 0.00 H new ATOM 273 N GLN A 20 3.777 5.670 -0.057 1.00 0.00 N ATOM 274 CA GLN A 20 3.877 6.811 0.836 1.00 0.00 C ATOM 275 C GLN A 20 2.499 7.173 1.393 1.00 0.00 C ATOM 276 O GLN A 20 2.372 7.527 2.565 1.00 0.00 O ATOM 277 CB GLN A 20 4.513 8.009 0.127 1.00 0.00 C ATOM 278 CG GLN A 20 5.976 7.728 -0.219 1.00 0.00 C ATOM 279 CD GLN A 20 6.747 9.031 -0.444 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.408 10.080 0.077 1.00 0.00 O ATOM 281 NE2 GLN A 20 7.800 8.905 -1.246 1.00 0.00 N ATOM 0 H GLN A 20 4.116 5.839 -1.004 1.00 0.00 H new ATOM 0 HA GLN A 20 4.524 6.538 1.670 1.00 0.00 H new ATOM 0 HB2 GLN A 20 3.957 8.234 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.449 8.890 0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.441 7.161 0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.029 7.110 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.028 7.996 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.380 9.717 -1.458 1.00 0.00 H new ATOM 288 N VAL A 21 1.500 7.069 0.528 1.00 0.00 N ATOM 289 CA VAL A 21 0.136 7.381 0.920 1.00 0.00 C ATOM 290 C VAL A 21 -0.334 6.368 1.967 1.00 0.00 C ATOM 291 O VAL A 21 -0.992 6.735 2.938 1.00 0.00 O ATOM 292 CB VAL A 21 -0.765 7.424 -0.317 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.695 6.210 -0.360 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.563 8.728 -0.366 1.00 0.00 C ATOM 0 H VAL A 21 1.608 6.773 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 21 0.086 8.369 1.378 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.126 7.388 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.324 6.265 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.100 5.297 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.324 6.202 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.195 8.734 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.187 8.806 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.876 9.574 -0.404 1.00 0.00 H new ATOM 304 N LEU A 22 0.023 5.114 1.732 1.00 0.00 N ATOM 305 CA LEU A 22 -0.353 4.046 2.643 1.00 0.00 C ATOM 306 C LEU A 22 0.202 4.350 4.036 1.00 0.00 C ATOM 307 O LEU A 22 -0.510 4.231 5.031 1.00 0.00 O ATOM 308 CB LEU A 22 0.086 2.689 2.089 1.00 0.00 C ATOM 309 CG LEU A 22 -0.284 2.409 0.630 1.00 0.00 C ATOM 310 CD1 LEU A 22 0.195 1.021 0.201 1.00 0.00 C ATOM 311 CD2 LEU A 22 -1.785 2.595 0.400 1.00 0.00 C ATOM 0 H LEU A 22 0.568 4.814 0.924 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.438 3.990 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.168 2.610 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.350 1.907 2.710 1.00 0.00 H new ATOM 0 HG LEU A 22 0.230 3.136 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.080 0.847 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.278 0.962 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.272 0.264 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.021 2.390 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.339 1.907 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.066 3.620 0.641 1.00 0.00 H new ATOM 322 N LEU A 23 1.469 4.736 4.061 1.00 0.00 N ATOM 323 CA LEU A 23 2.128 5.058 5.316 1.00 0.00 C ATOM 324 C LEU A 23 1.624 6.413 5.818 1.00 0.00 C ATOM 325 O LEU A 23 1.413 6.595 7.016 1.00 0.00 O ATOM 326 CB LEU A 23 3.648 4.987 5.156 1.00 0.00 C ATOM 327 CG LEU A 23 4.225 3.607 4.834 1.00 0.00 C ATOM 328 CD1 LEU A 23 3.281 2.496 5.300 1.00 0.00 C ATOM 329 CD2 LEU A 23 4.562 3.487 3.347 1.00 0.00 C ATOM 0 H LEU A 23 2.057 4.833 3.233 1.00 0.00 H new ATOM 0 HA LEU A 23 1.877 4.322 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.943 5.676 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.108 5.345 6.077 1.00 0.00 H new ATOM 0 HG LEU A 23 5.158 3.489 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.715 1.525 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.135 2.571 6.378 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.320 2.599 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.970 2.497 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.658 3.634 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.298 4.245 3.078 1.00 0.00 H new ATOM 340 N GLY A 24 1.449 7.329 4.877 1.00 0.00 N ATOM 341 CA GLY A 24 0.975 8.662 5.210 1.00 0.00 C ATOM 342 C GLY A 24 -0.376 8.600 5.923 1.00 0.00 C ATOM 343 O GLY A 24 -0.649 9.404 6.815 1.00 0.00 O ATOM 0 H GLY A 24 1.627 7.175 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.704 9.163 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.884 9.257 4.301 1.00 0.00 H new ATOM 347 N TYR A 25 -1.188 7.640 5.506 1.00 0.00 N ATOM 348 CA TYR A 25 -2.504 7.463 6.095 1.00 0.00 C ATOM 349 C TYR A 25 -2.401 6.859 7.497 1.00 0.00 C ATOM 350 O TYR A 25 -3.146 7.241 8.399 1.00 0.00 O ATOM 351 CB TYR A 25 -3.246 6.484 5.184 1.00 0.00 C ATOM 352 CG TYR A 25 -4.734 6.797 5.014 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.491 7.165 6.108 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.319 6.712 3.766 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.891 7.459 5.948 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.719 7.007 3.607 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.437 7.366 4.705 1.00 0.00 C ATOM 358 OH TYR A 25 -8.760 7.644 4.555 1.00 0.00 O ATOM 0 H TYR A 25 -0.959 6.976 4.766 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.016 8.421 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.771 6.485 4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.141 5.477 5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.033 7.232 7.084 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.727 6.424 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.495 7.747 6.796 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.189 6.945 2.637 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.012 7.538 3.614 1.00 0.00 H new ATOM 367 N ALA A 26 -1.472 5.925 7.638 1.00 0.00 N ATOM 368 CA ALA A 26 -1.262 5.263 8.914 1.00 0.00 C ATOM 369 C ALA A 26 -0.187 6.015 9.702 1.00 0.00 C ATOM 370 O ALA A 26 0.418 5.461 10.619 1.00 0.00 O ATOM 371 CB ALA A 26 -0.893 3.798 8.676 1.00 0.00 C ATOM 0 H ALA A 26 -0.856 5.611 6.889 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.176 5.275 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.736 3.302 9.634 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.701 3.302 8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.021 3.744 8.085 1.00 0.00 H new ATOM 377 N GLY A 27 0.020 7.265 9.315 1.00 0.00 N ATOM 378 CA GLY A 27 1.011 8.099 9.974 1.00 0.00 C ATOM 379 C GLY A 27 2.296 7.312 10.244 1.00 0.00 C ATOM 380 O GLY A 27 2.707 7.166 11.394 1.00 0.00 O ATOM 0 H GLY A 27 -0.482 7.721 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.235 8.965 9.352 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.607 8.477 10.913 1.00 0.00 H new ATOM 384 N ARG A 28 2.893 6.826 9.165 1.00 0.00 N ATOM 385 CA ARG A 28 4.122 6.059 9.272 1.00 0.00 C ATOM 386 C ARG A 28 5.238 6.729 8.467 1.00 0.00 C ATOM 387 O ARG A 28 4.988 7.674 7.721 1.00 0.00 O ATOM 388 CB ARG A 28 3.924 4.629 8.763 1.00 0.00 C ATOM 389 CG ARG A 28 3.136 3.792 9.774 1.00 0.00 C ATOM 390 CD ARG A 28 4.074 3.130 10.785 1.00 0.00 C ATOM 391 NE ARG A 28 3.421 3.064 12.113 1.00 0.00 N ATOM 392 CZ ARG A 28 3.994 2.542 13.206 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.234 2.039 13.138 1.00 0.00 N ATOM 394 NH2 ARG A 28 3.326 2.524 14.368 1.00 0.00 N ATOM 0 H ARG A 28 2.548 6.949 8.213 1.00 0.00 H new ATOM 0 HA ARG A 28 4.400 6.023 10.325 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.395 4.648 7.810 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.894 4.167 8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.420 4.426 10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.562 3.028 9.250 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.335 2.127 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.004 3.695 10.855 1.00 0.00 H new ATOM 0 HE ARG A 28 2.477 3.439 12.201 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.742 2.053 12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.670 1.642 13.970 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.382 2.907 14.420 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.761 2.127 15.200 1.00 0.00 H new ATOM 405 N ASN A 29 6.444 6.212 8.646 1.00 0.00 N ATOM 406 CA ASN A 29 7.599 6.749 7.946 1.00 0.00 C ATOM 407 C ASN A 29 7.587 6.256 6.498 1.00 0.00 C ATOM 408 O ASN A 29 7.373 5.072 6.243 1.00 0.00 O ATOM 409 CB ASN A 29 8.903 6.279 8.594 1.00 0.00 C ATOM 410 CG ASN A 29 10.104 6.594 7.699 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.146 7.593 7.001 1.00 0.00 O ATOM 412 ND2 ASN A 29 11.076 5.688 7.761 1.00 0.00 N ATOM 0 H ASN A 29 6.647 5.427 9.265 1.00 0.00 H new ATOM 0 HA ASN A 29 7.545 7.837 7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.028 6.765 9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.855 5.206 8.780 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.921 5.808 7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.976 4.874 8.367 1.00 0.00 H new ATOM 418 N LYS A 30 7.818 7.189 5.587 1.00 0.00 N ATOM 419 CA LYS A 30 7.836 6.865 4.170 1.00 0.00 C ATOM 420 C LYS A 30 9.121 7.410 3.543 1.00 0.00 C ATOM 421 O LYS A 30 10.129 7.575 4.228 1.00 0.00 O ATOM 422 CB LYS A 30 6.560 7.363 3.490 1.00 0.00 C ATOM 423 CG LYS A 30 6.661 8.853 3.159 1.00 0.00 C ATOM 424 CD LYS A 30 5.441 9.615 3.679 1.00 0.00 C ATOM 425 CE LYS A 30 5.447 11.063 3.188 1.00 0.00 C ATOM 426 NZ LYS A 30 4.751 11.172 1.885 1.00 0.00 N ATOM 0 H LYS A 30 7.994 8.170 5.802 1.00 0.00 H new ATOM 0 HA LYS A 30 7.844 5.785 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.385 6.795 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.704 7.189 4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.568 9.266 3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.743 8.985 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.529 9.119 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.434 9.597 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.959 11.704 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.474 11.415 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.554 12.172 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.354 10.776 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.856 10.644 1.924 1.00 0.00 H new ATOM 436 N HIS A 31 9.043 7.674 2.247 1.00 0.00 N ATOM 437 CA HIS A 31 10.186 8.197 1.519 1.00 0.00 C ATOM 438 C HIS A 31 11.328 7.180 1.557 1.00 0.00 C ATOM 439 O HIS A 31 11.903 6.925 2.614 1.00 0.00 O ATOM 440 CB HIS A 31 10.595 9.568 2.063 1.00 0.00 C ATOM 441 CG HIS A 31 10.208 10.723 1.171 1.00 0.00 C ATOM 442 ND1 HIS A 31 10.685 10.866 -0.120 1.00 0.00 N ATOM 443 CD2 HIS A 31 9.386 11.787 1.398 1.00 0.00 C ATOM 444 CE1 HIS A 31 10.166 11.970 -0.638 1.00 0.00 C ATOM 445 NE2 HIS A 31 9.362 12.540 0.304 1.00 0.00 N ATOM 0 H HIS A 31 8.205 7.535 1.682 1.00 0.00 H new ATOM 0 HA HIS A 31 9.917 8.350 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.138 9.710 3.042 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.675 9.582 2.210 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.846 11.984 2.312 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.348 12.351 -1.632 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.830 13.402 0.188 1.00 0.00 H new ATOM 452 N GLY A 32 11.621 6.625 0.390 1.00 0.00 N ATOM 453 CA GLY A 32 12.684 5.640 0.276 1.00 0.00 C ATOM 454 C GLY A 32 12.442 4.707 -0.912 1.00 0.00 C ATOM 455 O GLY A 32 11.639 5.013 -1.792 1.00 0.00 O ATOM 0 H GLY A 32 11.141 6.838 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.642 6.146 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.744 5.057 1.195 1.00 0.00 H new ATOM 459 N ARG A 33 13.152 3.589 -0.899 1.00 0.00 N ATOM 460 CA ARG A 33 13.024 2.609 -1.964 1.00 0.00 C ATOM 461 C ARG A 33 11.642 1.956 -1.922 1.00 0.00 C ATOM 462 O ARG A 33 10.970 1.981 -0.892 1.00 0.00 O ATOM 463 CB ARG A 33 14.096 1.524 -1.846 1.00 0.00 C ATOM 464 CG ARG A 33 15.438 2.017 -2.393 1.00 0.00 C ATOM 465 CD ARG A 33 16.252 2.714 -1.302 1.00 0.00 C ATOM 466 NE ARG A 33 17.464 3.327 -1.889 1.00 0.00 N ATOM 467 CZ ARG A 33 18.572 2.645 -2.210 1.00 0.00 C ATOM 468 NH1 ARG A 33 18.627 1.323 -2.003 1.00 0.00 N ATOM 469 NH2 ARG A 33 19.623 3.285 -2.738 1.00 0.00 N ATOM 0 H ARG A 33 13.818 3.340 -0.168 1.00 0.00 H new ATOM 0 HA ARG A 33 13.154 3.132 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.210 1.232 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.781 0.635 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.004 1.175 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.267 2.706 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.646 3.479 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.534 1.996 -0.532 1.00 0.00 H new ATOM 0 HE ARG A 33 17.456 4.332 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.826 0.836 -1.601 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.470 0.803 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.580 4.292 -2.896 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.466 2.766 -2.982 1.00 0.00 H new ATOM 480 N LYS A 34 11.255 1.387 -3.055 1.00 0.00 N ATOM 481 CA LYS A 34 9.965 0.729 -3.161 1.00 0.00 C ATOM 482 C LYS A 34 9.958 -0.516 -2.272 1.00 0.00 C ATOM 483 O LYS A 34 8.995 -0.758 -1.544 1.00 0.00 O ATOM 484 CB LYS A 34 9.628 0.441 -4.625 1.00 0.00 C ATOM 485 CG LYS A 34 8.119 0.281 -4.820 1.00 0.00 C ATOM 486 CD LYS A 34 7.813 -0.632 -6.009 1.00 0.00 C ATOM 487 CE LYS A 34 7.873 0.145 -7.326 1.00 0.00 C ATOM 488 NZ LYS A 34 9.249 0.627 -7.582 1.00 0.00 N ATOM 0 H LYS A 34 11.814 1.369 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 34 9.173 1.384 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.995 1.253 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.138 -0.467 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.674 -0.133 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.664 1.258 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.528 -1.454 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.824 -1.074 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.547 -0.494 -8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.186 0.991 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.418 0.666 -8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.365 1.577 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.932 -0.023 -7.143 1.00 0.00 H new ATOM 498 N HIS A 35 11.042 -1.272 -2.359 1.00 0.00 N ATOM 499 CA HIS A 35 11.173 -2.486 -1.571 1.00 0.00 C ATOM 500 C HIS A 35 11.037 -2.150 -0.084 1.00 0.00 C ATOM 501 O HIS A 35 10.346 -2.850 0.654 1.00 0.00 O ATOM 502 CB HIS A 35 12.480 -3.208 -1.898 1.00 0.00 C ATOM 503 CG HIS A 35 12.922 -4.191 -0.841 1.00 0.00 C ATOM 504 ND1 HIS A 35 12.250 -5.375 -0.590 1.00 0.00 N ATOM 505 CD2 HIS A 35 13.974 -4.154 0.027 1.00 0.00 C ATOM 506 CE1 HIS A 35 12.876 -6.013 0.387 1.00 0.00 C ATOM 507 NE2 HIS A 35 13.944 -5.255 0.768 1.00 0.00 N ATOM 0 H HIS A 35 11.838 -1.068 -2.963 1.00 0.00 H new ATOM 0 HA HIS A 35 10.370 -3.178 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 35 12.364 -3.736 -2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.266 -2.467 -2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.706 -3.364 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.591 -6.966 0.808 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.610 -5.495 1.502 1.00 0.00 H new ATOM 514 N GLU A 36 11.710 -1.079 0.311 1.00 0.00 N ATOM 515 CA GLU A 36 11.674 -0.642 1.697 1.00 0.00 C ATOM 516 C GLU A 36 10.274 -0.141 2.059 1.00 0.00 C ATOM 517 O GLU A 36 9.769 -0.427 3.142 1.00 0.00 O ATOM 518 CB GLU A 36 12.727 0.436 1.960 1.00 0.00 C ATOM 519 CG GLU A 36 14.138 -0.108 1.722 1.00 0.00 C ATOM 520 CD GLU A 36 14.764 -0.597 3.029 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.301 -1.650 3.521 1.00 0.00 O ATOM 522 OE2 GLU A 36 15.691 0.091 3.509 1.00 0.00 O ATOM 0 H GLU A 36 12.283 -0.501 -0.304 1.00 0.00 H new ATOM 0 HA GLU A 36 11.909 -1.495 2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.548 1.291 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.639 0.793 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.100 -0.927 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.763 0.670 1.284 1.00 0.00 H new ATOM 527 N LEU A 37 9.688 0.600 1.130 1.00 0.00 N ATOM 528 CA LEU A 37 8.357 1.144 1.338 1.00 0.00 C ATOM 529 C LEU A 37 7.339 0.002 1.349 1.00 0.00 C ATOM 530 O LEU A 37 6.412 -0.001 2.156 1.00 0.00 O ATOM 531 CB LEU A 37 8.053 2.227 0.301 1.00 0.00 C ATOM 532 CG LEU A 37 8.589 3.626 0.615 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.625 4.495 -0.643 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.786 4.280 1.741 1.00 0.00 C ATOM 0 H LEU A 37 10.110 0.836 0.232 1.00 0.00 H new ATOM 0 HA LEU A 37 8.295 1.637 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.463 1.909 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.972 2.293 0.180 1.00 0.00 H new ATOM 0 HG LEU A 37 9.616 3.527 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.010 5.483 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.273 4.032 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.618 4.590 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.187 5.273 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.742 4.365 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.856 3.669 2.641 1.00 0.00 H new ATOM 545 N LEU A 38 7.548 -0.943 0.443 1.00 0.00 N ATOM 546 CA LEU A 38 6.660 -2.088 0.339 1.00 0.00 C ATOM 547 C LEU A 38 6.634 -2.831 1.675 1.00 0.00 C ATOM 548 O LEU A 38 5.581 -3.299 2.109 1.00 0.00 O ATOM 549 CB LEU A 38 7.059 -2.969 -0.847 1.00 0.00 C ATOM 550 CG LEU A 38 6.127 -2.926 -2.060 1.00 0.00 C ATOM 551 CD1 LEU A 38 4.699 -3.308 -1.667 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.187 -1.561 -2.748 1.00 0.00 C ATOM 0 H LEU A 38 8.319 -0.939 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 38 5.640 -1.762 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.058 -2.677 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.125 -4.001 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 38 6.471 -3.666 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.057 -3.270 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.692 -4.318 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.329 -2.609 -0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.516 -1.557 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.882 -0.786 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.206 -1.367 -3.083 1.00 0.00 H new ATOM 563 N THR A 39 7.803 -2.917 2.291 1.00 0.00 N ATOM 564 CA THR A 39 7.928 -3.595 3.570 1.00 0.00 C ATOM 565 C THR A 39 7.075 -2.895 4.630 1.00 0.00 C ATOM 566 O THR A 39 6.501 -3.548 5.501 1.00 0.00 O ATOM 567 CB THR A 39 9.414 -3.658 3.929 1.00 0.00 C ATOM 568 OG1 THR A 39 9.966 -4.554 2.968 1.00 0.00 O ATOM 569 CG2 THR A 39 9.663 -4.351 5.270 1.00 0.00 C ATOM 0 H THR A 39 8.673 -2.528 1.928 1.00 0.00 H new ATOM 0 HA THR A 39 7.549 -4.616 3.516 1.00 0.00 H new ATOM 0 HB THR A 39 9.823 -2.648 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.135 -4.073 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.733 -4.369 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.149 -3.806 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.284 -5.372 5.228 1.00 0.00 H new ATOM 577 N LYS A 40 7.020 -1.575 4.523 1.00 0.00 N ATOM 578 CA LYS A 40 6.248 -0.779 5.461 1.00 0.00 C ATOM 579 C LYS A 40 4.758 -1.060 5.255 1.00 0.00 C ATOM 580 O LYS A 40 4.012 -1.214 6.222 1.00 0.00 O ATOM 581 CB LYS A 40 6.618 0.700 5.340 1.00 0.00 C ATOM 582 CG LYS A 40 8.055 0.946 5.804 1.00 0.00 C ATOM 583 CD LYS A 40 8.166 2.268 6.566 1.00 0.00 C ATOM 584 CE LYS A 40 9.423 3.035 6.153 1.00 0.00 C ATOM 585 NZ LYS A 40 10.634 2.376 6.691 1.00 0.00 N ATOM 0 H LYS A 40 7.498 -1.037 3.800 1.00 0.00 H new ATOM 0 HA LYS A 40 6.487 -1.060 6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.506 1.023 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.932 1.300 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.380 0.125 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.722 0.962 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.284 2.878 6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.191 2.073 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.483 3.087 5.066 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.367 4.060 6.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.478 2.910 6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.582 2.348 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.694 1.406 6.321 1.00 0.00 H new ATOM 595 N ALA A 41 4.369 -1.117 3.990 1.00 0.00 N ATOM 596 CA ALA A 41 2.981 -1.376 3.646 1.00 0.00 C ATOM 597 C ALA A 41 2.620 -2.808 4.045 1.00 0.00 C ATOM 598 O ALA A 41 1.532 -3.057 4.562 1.00 0.00 O ATOM 599 CB ALA A 41 2.768 -1.115 2.153 1.00 0.00 C ATOM 0 H ALA A 41 4.990 -0.988 3.191 1.00 0.00 H new ATOM 0 HA ALA A 41 2.318 -0.705 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.727 -1.309 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.010 -0.077 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.415 -1.773 1.573 1.00 0.00 H new ATOM 605 N LEU A 42 3.552 -3.713 3.788 1.00 0.00 N ATOM 606 CA LEU A 42 3.346 -5.114 4.113 1.00 0.00 C ATOM 607 C LEU A 42 3.230 -5.269 5.630 1.00 0.00 C ATOM 608 O LEU A 42 2.332 -5.951 6.122 1.00 0.00 O ATOM 609 CB LEU A 42 4.445 -5.978 3.489 1.00 0.00 C ATOM 610 CG LEU A 42 4.456 -6.047 1.961 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.664 -7.485 1.480 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.187 -5.424 1.374 1.00 0.00 C ATOM 0 H LEU A 42 4.453 -3.503 3.358 1.00 0.00 H new ATOM 0 HA LEU A 42 2.410 -5.470 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.411 -5.599 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.348 -6.992 3.878 1.00 0.00 H new ATOM 0 HG LEU A 42 5.300 -5.460 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.668 -7.507 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.617 -7.860 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.856 -8.114 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.221 -5.486 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.314 -5.963 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.122 -4.379 1.676 1.00 0.00 H new ATOM 623 N HIS A 43 4.152 -4.625 6.331 1.00 0.00 N ATOM 624 CA HIS A 43 4.165 -4.682 7.783 1.00 0.00 C ATOM 625 C HIS A 43 2.930 -3.968 8.335 1.00 0.00 C ATOM 626 O HIS A 43 2.447 -4.300 9.417 1.00 0.00 O ATOM 627 CB HIS A 43 5.474 -4.117 8.337 1.00 0.00 C ATOM 628 CG HIS A 43 6.504 -5.170 8.670 1.00 0.00 C ATOM 629 ND1 HIS A 43 6.666 -5.685 9.944 1.00 0.00 N ATOM 630 CD2 HIS A 43 7.423 -5.798 7.882 1.00 0.00 C ATOM 631 CE1 HIS A 43 7.640 -6.582 9.913 1.00 0.00 C ATOM 632 NE2 HIS A 43 8.110 -6.650 8.633 1.00 0.00 N ATOM 0 H HIS A 43 4.896 -4.061 5.920 1.00 0.00 H new ATOM 0 HA HIS A 43 4.118 -5.721 8.111 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.898 -3.427 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.257 -3.538 9.235 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.567 -5.630 6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.999 -7.158 10.753 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.864 -7.255 8.308 1.00 0.00 H new ATOM 639 N LEU A 44 2.454 -2.998 7.568 1.00 0.00 N ATOM 640 CA LEU A 44 1.285 -2.233 7.968 1.00 0.00 C ATOM 641 C LEU A 44 0.115 -3.188 8.210 1.00 0.00 C ATOM 642 O LEU A 44 -0.631 -3.031 9.176 1.00 0.00 O ATOM 643 CB LEU A 44 0.984 -1.139 6.941 1.00 0.00 C ATOM 644 CG LEU A 44 1.368 0.285 7.347 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.757 1.312 6.391 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.988 0.563 8.803 1.00 0.00 C ATOM 0 H LEU A 44 2.857 -2.724 6.672 1.00 0.00 H new ATOM 0 HA LEU A 44 1.472 -1.713 8.908 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.504 -1.384 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.084 -1.158 6.722 1.00 0.00 H new ATOM 0 HG LEU A 44 2.451 0.379 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.046 2.316 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.119 1.128 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.329 1.225 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.272 1.582 9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.088 0.443 8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.509 -0.138 9.455 1.00 0.00 H new ATOM 657 N LEU A 45 -0.012 -4.157 7.314 1.00 0.00 N ATOM 658 CA LEU A 45 -1.079 -5.137 7.418 1.00 0.00 C ATOM 659 C LEU A 45 -0.891 -5.955 8.699 1.00 0.00 C ATOM 660 O LEU A 45 -1.865 -6.305 9.364 1.00 0.00 O ATOM 661 CB LEU A 45 -1.149 -5.990 6.150 1.00 0.00 C ATOM 662 CG LEU A 45 -1.548 -5.255 4.869 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.390 -5.226 3.870 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.815 -5.861 4.261 1.00 0.00 C ATOM 0 H LEU A 45 0.607 -4.284 6.513 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.046 -4.640 7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.174 -6.451 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.861 -6.798 6.318 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.777 -4.221 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.700 -4.698 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.462 -4.713 4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.106 -6.246 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.077 -5.320 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.638 -6.910 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.634 -5.786 4.976 1.00 0.00 H new ATOM 675 N LYS A 46 0.366 -6.235 9.006 1.00 0.00 N ATOM 676 CA LYS A 46 0.693 -7.004 10.195 1.00 0.00 C ATOM 677 C LYS A 46 0.564 -6.108 11.428 1.00 0.00 C ATOM 678 O LYS A 46 0.235 -6.584 12.513 1.00 0.00 O ATOM 679 CB LYS A 46 2.070 -7.656 10.049 1.00 0.00 C ATOM 680 CG LYS A 46 2.045 -8.759 8.989 1.00 0.00 C ATOM 681 CD LYS A 46 3.232 -9.708 9.159 1.00 0.00 C ATOM 682 CE LYS A 46 3.081 -10.555 10.424 1.00 0.00 C ATOM 683 NZ LYS A 46 3.279 -11.989 10.116 1.00 0.00 N ATOM 0 H LYS A 46 1.171 -5.943 8.452 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.011 -7.826 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.807 -6.901 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.382 -8.074 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.113 -9.319 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.070 -8.314 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.309 -10.359 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.157 -9.133 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.806 -10.234 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.091 -10.403 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.173 -12.549 10.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.571 -12.295 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.233 -12.132 9.727 1.00 0.00 H new ATOM 693 N ALA A 47 0.830 -4.826 11.220 1.00 0.00 N ATOM 694 CA ALA A 47 0.747 -3.860 12.301 1.00 0.00 C ATOM 695 C ALA A 47 -0.697 -3.370 12.433 1.00 0.00 C ATOM 696 O ALA A 47 -0.971 -2.431 13.178 1.00 0.00 O ATOM 697 CB ALA A 47 1.729 -2.716 12.040 1.00 0.00 C ATOM 0 H ALA A 47 1.103 -4.435 10.318 1.00 0.00 H new ATOM 0 HA ALA A 47 1.027 -4.320 13.249 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.667 -1.991 12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.743 -3.112 11.985 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.478 -2.229 11.098 1.00 0.00 H new ATOM 703 N GLY A 48 -1.580 -4.029 11.699 1.00 0.00 N ATOM 704 CA GLY A 48 -2.989 -3.673 11.724 1.00 0.00 C ATOM 705 C GLY A 48 -3.225 -2.323 11.045 1.00 0.00 C ATOM 706 O GLY A 48 -2.777 -1.289 11.538 1.00 0.00 O ATOM 0 H GLY A 48 -1.348 -4.808 11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.572 -4.444 11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.339 -3.632 12.755 1.00 0.00 H new ATOM 710 N CYS A 49 -3.929 -2.376 9.923 1.00 0.00 N ATOM 711 CA CYS A 49 -4.230 -1.170 9.171 1.00 0.00 C ATOM 712 C CYS A 49 -5.747 -1.078 8.998 1.00 0.00 C ATOM 713 O CYS A 49 -6.384 -2.031 8.553 1.00 0.00 O ATOM 714 CB CYS A 49 -3.499 -1.145 7.826 1.00 0.00 C ATOM 715 SG CYS A 49 -2.625 0.450 7.619 1.00 0.00 S ATOM 0 H CYS A 49 -4.299 -3.235 9.517 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.875 -0.298 9.720 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.787 -1.969 7.774 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.211 -1.287 7.013 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.373 1.416 8.065 1.00 0.00 H new ATOM 720 N SER A 50 -6.283 0.078 9.360 1.00 0.00 N ATOM 721 CA SER A 50 -7.713 0.308 9.251 1.00 0.00 C ATOM 722 C SER A 50 -8.187 -0.010 7.831 1.00 0.00 C ATOM 723 O SER A 50 -7.373 -0.187 6.927 1.00 0.00 O ATOM 724 CB SER A 50 -8.070 1.749 9.620 1.00 0.00 C ATOM 725 OG SER A 50 -8.664 1.838 10.913 1.00 0.00 O ATOM 0 H SER A 50 -5.752 0.866 9.730 1.00 0.00 H new ATOM 0 HA SER A 50 -8.220 -0.353 9.953 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.171 2.364 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.757 2.154 8.877 1.00 0.00 H new ATOM 0 HG SER A 50 -8.876 2.774 11.112 1.00 0.00 H new ATOM 730 N PRO A 51 -9.537 -0.073 7.676 1.00 0.00 N ATOM 731 CA PRO A 51 -10.129 -0.366 6.382 1.00 0.00 C ATOM 732 C PRO A 51 -10.045 0.847 5.454 1.00 0.00 C ATOM 733 O PRO A 51 -10.213 0.719 4.242 1.00 0.00 O ATOM 734 CB PRO A 51 -11.558 -0.782 6.688 1.00 0.00 C ATOM 735 CG PRO A 51 -11.853 -0.263 8.086 1.00 0.00 C ATOM 736 CD PRO A 51 -10.531 0.131 8.726 1.00 0.00 C ATOM 0 HA PRO A 51 -9.604 -1.158 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.252 -0.361 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.668 -1.866 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.526 0.594 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.351 -1.029 8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.546 1.168 9.061 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.315 -0.483 9.600 1.00 0.00 H new ATOM 741 N ALA A 52 -9.784 1.998 6.058 1.00 0.00 N ATOM 742 CA ALA A 52 -9.676 3.232 5.300 1.00 0.00 C ATOM 743 C ALA A 52 -8.456 3.156 4.380 1.00 0.00 C ATOM 744 O ALA A 52 -8.513 3.589 3.230 1.00 0.00 O ATOM 745 CB ALA A 52 -9.605 4.418 6.264 1.00 0.00 C ATOM 0 H ALA A 52 -9.644 2.101 7.063 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.555 3.374 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.524 5.345 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.507 4.445 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.733 4.311 6.909 1.00 0.00 H new ATOM 751 N VAL A 53 -7.380 2.602 4.921 1.00 0.00 N ATOM 752 CA VAL A 53 -6.149 2.463 4.163 1.00 0.00 C ATOM 753 C VAL A 53 -6.303 1.325 3.152 1.00 0.00 C ATOM 754 O VAL A 53 -5.790 1.407 2.037 1.00 0.00 O ATOM 755 CB VAL A 53 -4.969 2.261 5.115 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.637 2.363 4.367 1.00 0.00 C ATOM 757 CG2 VAL A 53 -5.023 3.258 6.274 1.00 0.00 C ATOM 0 H VAL A 53 -7.336 2.244 5.875 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.943 3.373 3.599 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.044 1.257 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.814 2.216 5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.595 1.598 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.551 3.348 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.173 3.093 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.985 4.274 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.949 3.118 6.831 1.00 0.00 H new ATOM 767 N GLN A 54 -7.011 0.290 3.578 1.00 0.00 N ATOM 768 CA GLN A 54 -7.238 -0.863 2.723 1.00 0.00 C ATOM 769 C GLN A 54 -7.991 -0.447 1.459 1.00 0.00 C ATOM 770 O GLN A 54 -7.766 -1.004 0.385 1.00 0.00 O ATOM 771 CB GLN A 54 -7.994 -1.962 3.474 1.00 0.00 C ATOM 772 CG GLN A 54 -7.115 -2.589 4.558 1.00 0.00 C ATOM 773 CD GLN A 54 -7.714 -3.906 5.056 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.704 -4.401 4.542 1.00 0.00 O ATOM 775 NE2 GLN A 54 -7.061 -4.444 6.081 1.00 0.00 N ATOM 0 H GLN A 54 -7.435 0.225 4.503 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.270 -1.268 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.894 -1.545 3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.317 -2.731 2.772 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.115 -2.767 4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.009 -1.895 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.239 -3.977 6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.382 -5.324 6.485 1.00 0.00 H new ATOM 782 N MET A 55 -8.871 0.530 1.627 1.00 0.00 N ATOM 783 CA MET A 55 -9.658 1.028 0.511 1.00 0.00 C ATOM 784 C MET A 55 -8.790 1.834 -0.457 1.00 0.00 C ATOM 785 O MET A 55 -8.973 1.758 -1.671 1.00 0.00 O ATOM 786 CB MET A 55 -10.789 1.913 1.040 1.00 0.00 C ATOM 787 CG MET A 55 -11.882 1.070 1.699 1.00 0.00 C ATOM 788 SD MET A 55 -12.740 0.108 0.462 1.00 0.00 S ATOM 789 CE MET A 55 -14.287 -0.172 1.306 1.00 0.00 C ATOM 0 H MET A 55 -9.056 0.990 2.519 1.00 0.00 H new ATOM 0 HA MET A 55 -10.072 0.175 -0.027 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.390 2.626 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.216 2.492 0.221 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.442 0.409 2.446 1.00 0.00 H new ATOM 0 HG3 MET A 55 -12.586 1.717 2.222 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.947 -0.762 0.670 1.00 0.00 H new ATOM 0 HE2 MET A 55 -14.102 -0.710 2.236 1.00 0.00 H new ATOM 0 HE3 MET A 55 -14.759 0.785 1.528 1.00 0.00 H new ATOM 797 N LYS A 56 -7.863 2.587 0.116 1.00 0.00 N ATOM 798 CA LYS A 56 -6.965 3.406 -0.680 1.00 0.00 C ATOM 799 C LYS A 56 -6.131 2.503 -1.590 1.00 0.00 C ATOM 800 O LYS A 56 -5.715 2.917 -2.671 1.00 0.00 O ATOM 801 CB LYS A 56 -6.127 4.314 0.220 1.00 0.00 C ATOM 802 CG LYS A 56 -5.642 5.549 -0.544 1.00 0.00 C ATOM 803 CD LYS A 56 -6.821 6.430 -0.967 1.00 0.00 C ATOM 804 CE LYS A 56 -6.827 6.646 -2.481 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.373 8.016 -2.811 1.00 0.00 N ATOM 0 H LYS A 56 -7.714 2.647 1.123 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.533 4.075 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.719 4.624 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.270 3.760 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.960 6.124 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.081 5.239 -1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.757 5.964 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.761 7.392 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.176 5.915 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.831 6.485 -2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.383 8.146 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.010 8.709 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.407 8.157 -2.454 1.00 0.00 H new ATOM 815 N ILE A 57 -5.910 1.284 -1.119 1.00 0.00 N ATOM 816 CA ILE A 57 -5.132 0.318 -1.877 1.00 0.00 C ATOM 817 C ILE A 57 -5.864 -0.010 -3.180 1.00 0.00 C ATOM 818 O ILE A 57 -5.238 -0.149 -4.229 1.00 0.00 O ATOM 819 CB ILE A 57 -4.821 -0.910 -1.020 1.00 0.00 C ATOM 820 CG1 ILE A 57 -3.961 -0.532 0.188 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.177 -2.016 -1.859 1.00 0.00 C ATOM 822 CD1 ILE A 57 -3.905 -1.679 1.200 1.00 0.00 C ATOM 0 H ILE A 57 -6.256 0.943 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.165 0.739 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.761 -1.305 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.952 -0.284 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.369 0.359 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.966 -2.877 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.858 -2.311 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.247 -1.649 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.288 -1.385 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.913 -1.908 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.474 -2.561 0.726 1.00 0.00 H new ATOM 833 N LYS A 58 -7.179 -0.124 -3.070 1.00 0.00 N ATOM 834 CA LYS A 58 -8.004 -0.434 -4.226 1.00 0.00 C ATOM 835 C LYS A 58 -8.027 0.772 -5.168 1.00 0.00 C ATOM 836 O LYS A 58 -7.925 0.617 -6.383 1.00 0.00 O ATOM 837 CB LYS A 58 -9.393 -0.897 -3.785 1.00 0.00 C ATOM 838 CG LYS A 58 -9.337 -2.301 -3.179 1.00 0.00 C ATOM 839 CD LYS A 58 -10.176 -2.383 -1.903 1.00 0.00 C ATOM 840 CE LYS A 58 -10.274 -3.825 -1.402 1.00 0.00 C ATOM 841 NZ LYS A 58 -11.434 -3.981 -0.497 1.00 0.00 N ATOM 0 H LYS A 58 -7.694 -0.007 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.579 -1.268 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.798 -0.197 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.070 -0.893 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.701 -3.029 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.303 -2.563 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.732 -1.755 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.175 -1.992 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.372 -4.505 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.358 -4.098 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.486 -4.966 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.325 -3.346 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.308 -3.741 -1.008 1.00 0.00 H new ATOM 851 N GLU A 59 -8.162 1.947 -4.569 1.00 0.00 N ATOM 852 CA GLU A 59 -8.200 3.178 -5.339 1.00 0.00 C ATOM 853 C GLU A 59 -6.866 3.399 -6.054 1.00 0.00 C ATOM 854 O GLU A 59 -6.838 3.665 -7.255 1.00 0.00 O ATOM 855 CB GLU A 59 -8.549 4.372 -4.447 1.00 0.00 C ATOM 856 CG GLU A 59 -9.798 4.086 -3.612 1.00 0.00 C ATOM 857 CD GLU A 59 -10.920 5.072 -3.948 1.00 0.00 C ATOM 858 OE1 GLU A 59 -11.224 5.195 -5.154 1.00 0.00 O ATOM 859 OE2 GLU A 59 -11.447 5.679 -2.991 1.00 0.00 O ATOM 0 H GLU A 59 -8.246 2.072 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.983 3.088 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.710 4.596 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.714 5.255 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.137 3.067 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.554 4.154 -2.552 1.00 0.00 H new ATOM 864 N LEU A 60 -5.793 3.280 -5.286 1.00 0.00 N ATOM 865 CA LEU A 60 -4.459 3.464 -5.832 1.00 0.00 C ATOM 866 C LEU A 60 -4.249 2.489 -6.992 1.00 0.00 C ATOM 867 O LEU A 60 -3.821 2.891 -8.074 1.00 0.00 O ATOM 868 CB LEU A 60 -3.407 3.341 -4.727 1.00 0.00 C ATOM 869 CG LEU A 60 -3.489 4.376 -3.604 1.00 0.00 C ATOM 870 CD1 LEU A 60 -2.934 3.812 -2.295 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.793 5.678 -4.006 1.00 0.00 C ATOM 0 H LEU A 60 -5.820 3.059 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.348 4.470 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.488 2.348 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.420 3.408 -5.184 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.540 4.611 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.005 4.569 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.511 2.934 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.890 3.530 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.866 6.397 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.743 5.478 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.273 6.088 -4.894 1.00 0.00 H new ATOM 882 N TYR A 61 -4.559 1.229 -6.728 1.00 0.00 N ATOM 883 CA TYR A 61 -4.409 0.194 -7.737 1.00 0.00 C ATOM 884 C TYR A 61 -5.386 0.412 -8.895 1.00 0.00 C ATOM 885 O TYR A 61 -5.015 0.273 -10.059 1.00 0.00 O ATOM 886 CB TYR A 61 -4.747 -1.125 -7.042 1.00 0.00 C ATOM 887 CG TYR A 61 -4.408 -2.369 -7.868 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.293 -2.822 -8.825 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.219 -3.035 -7.655 1.00 0.00 C ATOM 890 CE1 TYR A 61 -4.974 -3.993 -9.601 1.00 0.00 C ATOM 891 CE2 TYR A 61 -2.900 -4.206 -8.431 1.00 0.00 C ATOM 892 CZ TYR A 61 -3.795 -4.626 -9.367 1.00 0.00 C ATOM 893 OH TYR A 61 -3.493 -5.730 -10.101 1.00 0.00 O ATOM 0 H TYR A 61 -4.914 0.901 -5.830 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.400 0.203 -8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.210 -1.173 -6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.811 -1.137 -6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.223 -2.299 -8.992 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.527 -2.678 -6.906 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.657 -4.360 -10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.973 -4.738 -8.274 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.619 -6.077 -9.826 1.00 0.00 H new ATOM 902 N ARG A 62 -6.615 0.750 -8.534 1.00 0.00 N ATOM 903 CA ARG A 62 -7.648 0.988 -9.527 1.00 0.00 C ATOM 904 C ARG A 62 -7.278 2.187 -10.401 1.00 0.00 C ATOM 905 O ARG A 62 -7.279 2.091 -11.627 1.00 0.00 O ATOM 906 CB ARG A 62 -9.001 1.248 -8.863 1.00 0.00 C ATOM 907 CG ARG A 62 -9.703 -0.067 -8.514 1.00 0.00 C ATOM 908 CD ARG A 62 -11.142 -0.076 -9.035 1.00 0.00 C ATOM 909 NE ARG A 62 -11.158 -0.420 -10.473 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.276 -0.608 -11.188 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.475 -0.485 -10.601 1.00 0.00 N ATOM 912 NH2 ARG A 62 -12.195 -0.918 -12.489 1.00 0.00 N ATOM 0 H ARG A 62 -6.919 0.865 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.726 0.094 -10.145 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.858 1.839 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.631 1.835 -9.531 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.152 -0.903 -8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.703 -0.208 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.736 -0.797 -8.474 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.599 0.902 -8.882 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.262 -0.520 -10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.536 -0.248 -9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.326 -0.628 -11.145 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.283 -1.011 -12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.046 -1.061 -13.033 1.00 0.00 H new ATOM 923 N ARG A 63 -6.969 3.291 -9.736 1.00 0.00 N ATOM 924 CA ARG A 63 -6.597 4.508 -10.436 1.00 0.00 C ATOM 925 C ARG A 63 -5.614 4.191 -11.566 1.00 0.00 C ATOM 926 O ARG A 63 -5.824 4.597 -12.708 1.00 0.00 O ATOM 927 CB ARG A 63 -5.958 5.520 -9.483 1.00 0.00 C ATOM 928 CG ARG A 63 -7.014 6.171 -8.587 1.00 0.00 C ATOM 929 CD ARG A 63 -6.374 6.782 -7.339 1.00 0.00 C ATOM 930 NE ARG A 63 -7.243 7.850 -6.795 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.318 9.088 -7.300 1.00 0.00 C ATOM 932 NH1 ARG A 63 -6.576 9.423 -8.365 1.00 0.00 N ATOM 933 NH2 ARG A 63 -8.134 9.991 -6.742 1.00 0.00 N ATOM 0 H ARG A 63 -6.969 3.367 -8.719 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.507 4.942 -10.851 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.210 5.022 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.439 6.288 -10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.542 6.944 -9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.755 5.428 -8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.218 6.010 -6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.394 7.190 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.821 7.629 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.955 8.735 -8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.633 10.366 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.699 9.736 -5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.191 10.934 -7.127 1.00 0.00 H new ATOM 944 N ARG A 64 -4.563 3.470 -11.207 1.00 0.00 N ATOM 945 CA ARG A 64 -3.547 3.095 -12.175 1.00 0.00 C ATOM 946 C ARG A 64 -4.190 2.401 -13.377 1.00 0.00 C ATOM 947 O ARG A 64 -3.682 2.487 -14.494 1.00 0.00 O ATOM 948 CB ARG A 64 -2.509 2.160 -11.551 1.00 0.00 C ATOM 949 CG ARG A 64 -1.572 2.928 -10.616 1.00 0.00 C ATOM 950 CD ARG A 64 -0.326 2.101 -10.288 1.00 0.00 C ATOM 951 NE ARG A 64 0.891 2.839 -10.695 1.00 0.00 N ATOM 952 CZ ARG A 64 1.408 2.813 -11.931 1.00 0.00 C ATOM 953 NH1 ARG A 64 0.816 2.086 -12.889 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.515 3.514 -12.208 1.00 0.00 N ATOM 0 H ARG A 64 -4.393 3.135 -10.259 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.048 4.007 -12.501 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.014 1.369 -10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.929 1.678 -12.338 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.277 3.868 -11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.098 3.181 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.292 1.887 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.370 1.142 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 64 1.366 3.403 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.027 1.553 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.209 2.066 -13.830 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.964 4.067 -11.478 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.909 3.495 -13.149 1.00 0.00 H new ATOM 965 N PHE A 65 -5.299 1.728 -13.107 1.00 0.00 N ATOM 966 CA PHE A 65 -6.017 1.019 -14.153 1.00 0.00 C ATOM 967 C PHE A 65 -5.047 0.377 -15.147 1.00 0.00 C ATOM 968 O PHE A 65 -4.388 -0.611 -14.826 1.00 0.00 O ATOM 969 CB PHE A 65 -6.872 2.053 -14.888 1.00 0.00 C ATOM 970 CG PHE A 65 -8.379 1.817 -14.766 1.00 0.00 C ATOM 971 CD1 PHE A 65 -9.009 0.984 -15.636 1.00 0.00 C ATOM 972 CD2 PHE A 65 -9.087 2.439 -13.786 1.00 0.00 C ATOM 973 CE1 PHE A 65 -10.407 0.764 -15.522 1.00 0.00 C ATOM 974 CE2 PHE A 65 -10.485 2.220 -13.672 1.00 0.00 C ATOM 975 CZ PHE A 65 -11.116 1.387 -14.542 1.00 0.00 C ATOM 0 H PHE A 65 -5.718 1.659 -12.180 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.624 0.226 -13.716 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.638 3.044 -14.500 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.599 2.051 -15.943 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.446 0.490 -16.414 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.586 3.100 -13.094 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.908 0.102 -16.213 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.047 2.715 -12.894 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.179 1.220 -14.455 1.00 0.00 H new