USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 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 17 LYS NZ :NH3+ 155:sc= -0.0326 (180deg=-0.0422) USER MOD Single : A 21 ASN : amide:sc= -1.62 K(o=-1.6,f=-4!) USER MOD Single : A 23 ASN : amide:sc=-0.00365 X(o=-0.0037,f=-0.0037) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -160:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -35:sc= 0.343 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -6.97! C(o=-7!,f=-3.8!) USER MOD Single : A 44 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.001) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.8!) USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= 0.00965 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 143:sc= -0.324 (180deg=-1.45!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 16 -3.312 20.151 -11.995 1.00 0.00 N ATOM 2 CA ALA A 16 -4.778 19.909 -11.940 1.00 0.00 C ATOM 3 C ALA A 16 -5.079 18.461 -11.568 1.00 0.00 C ATOM 4 O ALA A 16 -4.180 17.621 -11.525 1.00 0.00 O ATOM 5 CB ALA A 16 -5.418 20.255 -13.275 1.00 0.00 C ATOM 0 HA ALA A 16 -5.201 20.552 -11.168 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.491 20.073 -13.222 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.239 21.306 -13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.983 19.634 -14.059 1.00 0.00 H new ATOM 13 N LYS A 17 -6.349 18.177 -11.299 1.00 0.00 N ATOM 14 CA LYS A 17 -6.769 16.829 -10.931 1.00 0.00 C ATOM 15 C LYS A 17 -7.682 16.233 -11.998 1.00 0.00 C ATOM 16 O LYS A 17 -8.863 16.573 -12.079 1.00 0.00 O ATOM 17 CB LYS A 17 -7.488 16.848 -9.580 1.00 0.00 C ATOM 18 CG LYS A 17 -7.391 15.535 -8.820 1.00 0.00 C ATOM 19 CD LYS A 17 -8.732 14.818 -8.766 1.00 0.00 C ATOM 20 CE LYS A 17 -8.571 13.320 -8.972 1.00 0.00 C ATOM 21 NZ LYS A 17 -8.259 12.985 -10.389 1.00 0.00 N ATOM 0 H LYS A 17 -7.105 18.861 -11.329 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.878 16.206 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.069 17.645 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.539 17.088 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.653 14.891 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.039 15.726 -7.806 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.207 15.005 -7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.393 15.223 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.775 12.948 -8.327 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.487 12.812 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.755 12.076 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.143 12.914 -10.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.661 13.731 -10.798 1.00 0.00 H new ATOM 35 N ARG A 18 -7.129 15.342 -12.814 1.00 0.00 N ATOM 36 CA ARG A 18 -7.894 14.697 -13.876 1.00 0.00 C ATOM 37 C ARG A 18 -8.156 13.232 -13.544 1.00 0.00 C ATOM 38 O ARG A 18 -9.272 12.855 -13.187 1.00 0.00 O ATOM 39 CB ARG A 18 -7.147 14.805 -15.208 1.00 0.00 C ATOM 40 CG ARG A 18 -6.999 16.233 -15.708 1.00 0.00 C ATOM 41 CD ARG A 18 -8.078 16.588 -16.719 1.00 0.00 C ATOM 42 NE ARG A 18 -7.527 17.246 -17.900 1.00 0.00 N ATOM 43 CZ ARG A 18 -6.722 16.646 -18.775 1.00 0.00 C ATOM 44 NH1 ARG A 18 -6.372 15.377 -18.604 1.00 0.00 N ATOM 45 NH2 ARG A 18 -6.265 17.317 -19.823 1.00 0.00 N ATOM 0 H ARG A 18 -6.153 15.050 -12.761 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.853 15.208 -13.962 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.157 14.363 -15.097 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.675 14.218 -15.960 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.050 16.921 -14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.017 16.359 -16.164 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.604 15.682 -17.021 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.813 17.242 -16.250 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.773 18.222 -18.065 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.720 14.856 -17.799 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.755 14.923 -19.278 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.530 18.293 -19.959 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.648 16.858 -20.493 1.00 0.00 H new ATOM 59 N GLU A 19 -7.119 12.408 -13.663 1.00 0.00 N ATOM 60 CA GLU A 19 -7.235 10.984 -13.375 1.00 0.00 C ATOM 61 C GLU A 19 -5.969 10.462 -12.707 1.00 0.00 C ATOM 62 O GLU A 19 -4.911 10.385 -13.332 1.00 0.00 O ATOM 63 CB GLU A 19 -7.509 10.202 -14.661 1.00 0.00 C ATOM 64 CG GLU A 19 -8.891 10.451 -15.241 1.00 0.00 C ATOM 65 CD GLU A 19 -8.903 11.576 -16.256 1.00 0.00 C ATOM 66 OE1 GLU A 19 -7.946 11.667 -17.053 1.00 0.00 O ATOM 67 OE2 GLU A 19 -9.870 12.366 -16.254 1.00 0.00 O ATOM 0 H GLU A 19 -6.188 12.704 -13.957 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.071 10.843 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.758 10.468 -15.405 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.395 9.137 -14.460 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.253 9.537 -15.712 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.583 10.688 -14.433 1.00 0.00 H new ATOM 74 N PHE A 20 -6.082 10.108 -11.431 1.00 0.00 N ATOM 75 CA PHE A 20 -4.945 9.598 -10.675 1.00 0.00 C ATOM 76 C PHE A 20 -4.553 8.201 -11.148 1.00 0.00 C ATOM 77 O PHE A 20 -5.188 7.633 -12.037 1.00 0.00 O ATOM 78 CB PHE A 20 -5.270 9.569 -9.180 1.00 0.00 C ATOM 79 CG PHE A 20 -6.475 8.738 -8.842 1.00 0.00 C ATOM 80 CD1 PHE A 20 -6.433 7.357 -8.946 1.00 0.00 C ATOM 81 CD2 PHE A 20 -7.650 9.339 -8.418 1.00 0.00 C ATOM 82 CE1 PHE A 20 -7.540 6.591 -8.635 1.00 0.00 C ATOM 83 CE2 PHE A 20 -8.760 8.577 -8.106 1.00 0.00 C ATOM 84 CZ PHE A 20 -8.705 7.201 -8.214 1.00 0.00 C ATOM 0 H PHE A 20 -6.950 10.165 -10.899 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.102 10.268 -10.845 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.408 9.182 -8.637 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.434 10.589 -8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.525 6.874 -9.274 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.699 10.414 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.494 5.515 -8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.670 9.057 -7.778 1.00 0.00 H new ATOM 0 HZ PHE A 20 -9.571 6.604 -7.970 1.00 0.00 H new ATOM 94 N ASN A 21 -3.501 7.657 -10.547 1.00 0.00 N ATOM 95 CA ASN A 21 -3.017 6.327 -10.900 1.00 0.00 C ATOM 96 C ASN A 21 -3.756 5.251 -10.108 1.00 0.00 C ATOM 97 O ASN A 21 -3.919 5.362 -8.894 1.00 0.00 O ATOM 98 CB ASN A 21 -1.513 6.232 -10.640 1.00 0.00 C ATOM 99 CG ASN A 21 -0.702 6.229 -11.922 1.00 0.00 C ATOM 100 OD1 ASN A 21 -1.238 6.010 -13.009 1.00 0.00 O ATOM 101 ND2 ASN A 21 0.598 6.472 -11.800 1.00 0.00 N ATOM 0 H ASN A 21 -2.966 8.118 -9.811 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.208 6.162 -11.960 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.201 7.071 -10.018 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.301 5.323 -10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.195 6.482 -12.627 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.000 6.648 -10.879 1.00 0.00 H new ATOM 108 N GLU A 22 -4.203 4.212 -10.806 1.00 0.00 N ATOM 109 CA GLU A 22 -4.927 3.116 -10.168 1.00 0.00 C ATOM 110 C GLU A 22 -3.968 2.036 -9.678 1.00 0.00 C ATOM 111 O GLU A 22 -3.566 1.156 -10.439 1.00 0.00 O ATOM 112 CB GLU A 22 -5.942 2.514 -11.144 1.00 0.00 C ATOM 113 CG GLU A 22 -7.347 3.067 -10.976 1.00 0.00 C ATOM 114 CD GLU A 22 -8.123 3.088 -12.278 1.00 0.00 C ATOM 115 OE1 GLU A 22 -7.487 3.197 -13.347 1.00 0.00 O ATOM 116 OE2 GLU A 22 -9.368 2.995 -12.229 1.00 0.00 O ATOM 0 H GLU A 22 -4.077 4.105 -11.813 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.457 3.518 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.607 2.700 -12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.967 1.433 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.886 2.464 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.290 4.079 -10.575 1.00 0.00 H new ATOM 123 N ASN A 23 -3.607 2.111 -8.401 1.00 0.00 N ATOM 124 CA ASN A 23 -2.693 1.142 -7.803 1.00 0.00 C ATOM 125 C ASN A 23 -1.341 1.171 -8.495 1.00 0.00 C ATOM 126 O ASN A 23 -0.700 0.141 -8.700 1.00 0.00 O ATOM 127 CB ASN A 23 -3.267 -0.259 -7.883 1.00 0.00 C ATOM 128 CG ASN A 23 -4.730 -0.318 -7.485 1.00 0.00 C ATOM 129 OD1 ASN A 23 -5.593 -0.646 -8.298 1.00 0.00 O ATOM 130 ND2 ASN A 23 -5.014 -0.001 -6.227 1.00 0.00 N ATOM 0 H ASN A 23 -3.933 2.833 -7.759 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.562 1.417 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.156 -0.635 -8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.692 -0.920 -7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.980 -0.024 -5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.266 0.265 -5.587 1.00 0.00 H new ATOM 137 N ARG A 24 -0.924 2.366 -8.836 1.00 0.00 N ATOM 138 CA ARG A 24 0.353 2.587 -9.502 1.00 0.00 C ATOM 139 C ARG A 24 1.148 3.667 -8.773 1.00 0.00 C ATOM 140 O ARG A 24 2.355 3.543 -8.565 1.00 0.00 O ATOM 141 CB ARG A 24 0.115 3.002 -10.952 1.00 0.00 C ATOM 142 CG ARG A 24 -0.724 2.005 -11.733 1.00 0.00 C ATOM 143 CD ARG A 24 0.119 0.852 -12.253 1.00 0.00 C ATOM 144 NE ARG A 24 -0.559 0.113 -13.317 1.00 0.00 N ATOM 145 CZ ARG A 24 -0.611 0.518 -14.584 1.00 0.00 C ATOM 146 NH1 ARG A 24 -0.027 1.653 -14.950 1.00 0.00 N ATOM 147 NH2 ARG A 24 -1.248 -0.213 -15.488 1.00 0.00 N ATOM 0 H ARG A 24 -1.455 3.219 -8.663 1.00 0.00 H new ATOM 0 HA ARG A 24 0.926 1.660 -9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.379 3.973 -10.968 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.077 3.125 -11.450 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.518 1.617 -11.095 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.206 2.511 -12.570 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.068 1.237 -12.627 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.351 0.174 -11.432 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.019 -0.764 -13.074 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.465 2.220 -14.259 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.070 1.958 -15.922 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.698 -1.086 -15.213 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.288 0.097 -16.459 1.00 0.00 H new ATOM 161 N TYR A 25 0.445 4.726 -8.395 1.00 0.00 N ATOM 162 CA TYR A 25 1.035 5.856 -7.691 1.00 0.00 C ATOM 163 C TYR A 25 1.889 5.414 -6.501 1.00 0.00 C ATOM 164 O TYR A 25 3.019 5.875 -6.337 1.00 0.00 O ATOM 165 CB TYR A 25 -0.075 6.794 -7.204 1.00 0.00 C ATOM 166 CG TYR A 25 -0.992 6.158 -6.180 1.00 0.00 C ATOM 167 CD1 TYR A 25 -1.740 5.028 -6.493 1.00 0.00 C ATOM 168 CD2 TYR A 25 -1.098 6.678 -4.896 1.00 0.00 C ATOM 169 CE1 TYR A 25 -2.566 4.437 -5.559 1.00 0.00 C ATOM 170 CE2 TYR A 25 -1.923 6.089 -3.955 1.00 0.00 C ATOM 171 CZ TYR A 25 -2.654 4.969 -4.291 1.00 0.00 C ATOM 172 OH TYR A 25 -3.478 4.382 -3.357 1.00 0.00 O ATOM 0 H TYR A 25 -0.555 4.826 -8.569 1.00 0.00 H new ATOM 0 HA TYR A 25 1.689 6.375 -8.392 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.377 7.687 -6.772 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.667 7.119 -8.059 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.673 4.606 -7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.528 7.555 -4.629 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.141 3.561 -5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.994 6.505 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.424 4.879 -2.514 1.00 0.00 H new ATOM 182 N LEU A 26 1.341 4.539 -5.663 1.00 0.00 N ATOM 183 CA LEU A 26 2.058 4.066 -4.483 1.00 0.00 C ATOM 184 C LEU A 26 2.134 2.542 -4.436 1.00 0.00 C ATOM 185 O LEU A 26 3.049 1.979 -3.838 1.00 0.00 O ATOM 186 CB LEU A 26 1.400 4.633 -3.210 1.00 0.00 C ATOM 187 CG LEU A 26 0.492 3.687 -2.404 1.00 0.00 C ATOM 188 CD1 LEU A 26 -0.579 3.069 -3.290 1.00 0.00 C ATOM 189 CD2 LEU A 26 1.311 2.608 -1.706 1.00 0.00 C ATOM 0 H LEU A 26 0.407 4.145 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 26 3.085 4.428 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.192 4.985 -2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.811 5.505 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.009 4.278 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.206 2.405 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.194 3.858 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.106 2.500 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.646 1.953 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.852 2.023 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.022 3.075 -1.024 1.00 0.00 H new ATOM 201 N THR A 27 1.172 1.876 -5.058 1.00 0.00 N ATOM 202 CA THR A 27 1.147 0.422 -5.065 1.00 0.00 C ATOM 203 C THR A 27 2.392 -0.140 -5.753 1.00 0.00 C ATOM 204 O THR A 27 3.329 -0.587 -5.093 1.00 0.00 O ATOM 205 CB THR A 27 -0.131 -0.074 -5.751 1.00 0.00 C ATOM 206 OG1 THR A 27 -1.198 -0.151 -4.822 1.00 0.00 O ATOM 207 CG2 THR A 27 0.003 -1.437 -6.402 1.00 0.00 C ATOM 0 H THR A 27 0.403 2.317 -5.562 1.00 0.00 H new ATOM 0 HA THR A 27 1.150 0.066 -4.035 1.00 0.00 H new ATOM 0 HB THR A 27 -0.327 0.658 -6.534 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.893 -0.748 -5.170 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.944 -1.714 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.782 -1.401 -7.164 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.268 -2.177 -5.646 1.00 0.00 H new ATOM 215 N GLU A 28 2.387 -0.117 -7.081 1.00 0.00 N ATOM 216 CA GLU A 28 3.507 -0.628 -7.865 1.00 0.00 C ATOM 217 C GLU A 28 4.793 0.146 -7.587 1.00 0.00 C ATOM 218 O GLU A 28 5.886 -0.418 -7.628 1.00 0.00 O ATOM 219 CB GLU A 28 3.178 -0.553 -9.356 1.00 0.00 C ATOM 220 CG GLU A 28 1.957 -1.367 -9.751 1.00 0.00 C ATOM 221 CD GLU A 28 2.124 -2.058 -11.090 1.00 0.00 C ATOM 222 OE1 GLU A 28 2.758 -3.134 -11.128 1.00 0.00 O ATOM 223 OE2 GLU A 28 1.622 -1.524 -12.101 1.00 0.00 O ATOM 0 H GLU A 28 1.617 0.251 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 28 3.667 -1.666 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.014 0.489 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.038 -0.903 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.760 -2.115 -8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.086 -0.713 -9.790 1.00 0.00 H new ATOM 230 N ARG A 29 4.659 1.439 -7.318 1.00 0.00 N ATOM 231 CA ARG A 29 5.817 2.286 -7.054 1.00 0.00 C ATOM 232 C ARG A 29 6.517 1.884 -5.760 1.00 0.00 C ATOM 233 O ARG A 29 7.737 1.720 -5.730 1.00 0.00 O ATOM 234 CB ARG A 29 5.393 3.754 -6.986 1.00 0.00 C ATOM 235 CG ARG A 29 5.322 4.429 -8.346 1.00 0.00 C ATOM 236 CD ARG A 29 6.617 5.152 -8.682 1.00 0.00 C ATOM 237 NE ARG A 29 7.525 4.318 -9.467 1.00 0.00 N ATOM 238 CZ ARG A 29 8.413 3.478 -8.936 1.00 0.00 C ATOM 239 NH1 ARG A 29 8.515 3.350 -7.619 1.00 0.00 N ATOM 240 NH2 ARG A 29 9.199 2.761 -9.727 1.00 0.00 N ATOM 0 H ARG A 29 3.762 1.924 -7.277 1.00 0.00 H new ATOM 0 HA ARG A 29 6.522 2.153 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.417 3.820 -6.505 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.096 4.298 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.112 3.683 -9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.495 5.139 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.390 6.062 -9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.111 5.457 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 29 7.476 4.383 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.911 3.897 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.197 2.705 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.123 2.853 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.879 2.118 -9.323 1.00 0.00 H new ATOM 254 N ARG A 30 5.744 1.728 -4.692 1.00 0.00 N ATOM 255 CA ARG A 30 6.305 1.348 -3.398 1.00 0.00 C ATOM 256 C ARG A 30 6.562 -0.154 -3.329 1.00 0.00 C ATOM 257 O ARG A 30 7.463 -0.604 -2.624 1.00 0.00 O ATOM 258 CB ARG A 30 5.377 1.771 -2.259 1.00 0.00 C ATOM 259 CG ARG A 30 5.119 3.268 -2.209 1.00 0.00 C ATOM 260 CD ARG A 30 4.745 3.723 -0.807 1.00 0.00 C ATOM 261 NE ARG A 30 3.747 4.789 -0.826 1.00 0.00 N ATOM 262 CZ ARG A 30 4.021 6.056 -1.131 1.00 0.00 C ATOM 263 NH1 ARG A 30 5.259 6.417 -1.447 1.00 0.00 N ATOM 264 NH2 ARG A 30 3.055 6.963 -1.123 1.00 0.00 N ATOM 0 H ARG A 30 4.732 1.858 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 30 7.257 1.866 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.425 1.250 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.811 1.454 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.009 3.803 -2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.317 3.523 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.359 2.875 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.638 4.072 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 30 2.784 4.549 -0.592 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.006 5.722 -1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.463 7.389 -1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.102 6.691 -0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.265 7.933 -1.357 1.00 0.00 H new ATOM 278 N ARG A 31 5.764 -0.925 -4.060 1.00 0.00 N ATOM 279 CA ARG A 31 5.909 -2.377 -4.073 1.00 0.00 C ATOM 280 C ARG A 31 7.281 -2.786 -4.598 1.00 0.00 C ATOM 281 O ARG A 31 7.914 -3.698 -4.066 1.00 0.00 O ATOM 282 CB ARG A 31 4.812 -3.013 -4.930 1.00 0.00 C ATOM 283 CG ARG A 31 3.542 -3.326 -4.156 1.00 0.00 C ATOM 284 CD ARG A 31 2.547 -4.096 -5.008 1.00 0.00 C ATOM 285 NE ARG A 31 3.129 -5.317 -5.562 1.00 0.00 N ATOM 286 CZ ARG A 31 2.637 -5.960 -6.619 1.00 0.00 C ATOM 287 NH1 ARG A 31 1.554 -5.504 -7.238 1.00 0.00 N ATOM 288 NH2 ARG A 31 3.230 -7.062 -7.058 1.00 0.00 N ATOM 0 H ARG A 31 5.012 -0.570 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 31 5.813 -2.734 -3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.570 -2.341 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.195 -3.933 -5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.790 -3.908 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.086 -2.398 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.675 -4.351 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.198 -3.460 -5.821 1.00 0.00 H new ATOM 0 HE ARG A 31 3.961 -5.699 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.094 -4.657 -6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.182 -6.001 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.062 -7.416 -6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.854 -7.556 -7.868 1.00 0.00 H new ATOM 302 N GLN A 32 7.735 -2.107 -5.646 1.00 0.00 N ATOM 303 CA GLN A 32 9.032 -2.401 -6.244 1.00 0.00 C ATOM 304 C GLN A 32 10.165 -2.110 -5.264 1.00 0.00 C ATOM 305 O GLN A 32 11.084 -2.914 -5.105 1.00 0.00 O ATOM 306 CB GLN A 32 9.222 -1.582 -7.523 1.00 0.00 C ATOM 307 CG GLN A 32 9.178 -2.417 -8.792 1.00 0.00 C ATOM 308 CD GLN A 32 7.779 -2.534 -9.364 1.00 0.00 C ATOM 309 OE1 GLN A 32 7.371 -1.733 -10.205 1.00 0.00 O ATOM 310 NE2 GLN A 32 7.036 -3.536 -8.908 1.00 0.00 N ATOM 0 H GLN A 32 7.224 -1.349 -6.099 1.00 0.00 H new ATOM 0 HA GLN A 32 9.058 -3.462 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.446 -0.818 -7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.179 -1.062 -7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.836 -1.972 -9.539 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.565 -3.414 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.416 -4.176 -8.210 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.086 -3.665 -9.255 1.00 0.00 H new ATOM 319 N GLN A 33 10.096 -0.954 -4.614 1.00 0.00 N ATOM 320 CA GLN A 33 11.118 -0.552 -3.654 1.00 0.00 C ATOM 321 C GLN A 33 10.977 -1.315 -2.339 1.00 0.00 C ATOM 322 O GLN A 33 11.972 -1.673 -1.710 1.00 0.00 O ATOM 323 CB GLN A 33 11.036 0.953 -3.391 1.00 0.00 C ATOM 324 CG GLN A 33 11.023 1.792 -4.658 1.00 0.00 C ATOM 325 CD GLN A 33 11.964 2.978 -4.581 1.00 0.00 C ATOM 326 OE1 GLN A 33 12.935 3.065 -5.333 1.00 0.00 O ATOM 327 NE2 GLN A 33 11.680 3.901 -3.669 1.00 0.00 N ATOM 0 H GLN A 33 9.342 -0.278 -4.734 1.00 0.00 H new ATOM 0 HA GLN A 33 12.090 -0.791 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.134 1.164 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.884 1.253 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.301 1.167 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.010 2.148 -4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.865 3.789 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.277 4.722 -3.571 1.00 0.00 H new ATOM 336 N LEU A 34 9.737 -1.558 -1.928 1.00 0.00 N ATOM 337 CA LEU A 34 9.473 -2.274 -0.686 1.00 0.00 C ATOM 338 C LEU A 34 9.988 -3.705 -0.762 1.00 0.00 C ATOM 339 O LEU A 34 10.506 -4.241 0.219 1.00 0.00 O ATOM 340 CB LEU A 34 7.976 -2.270 -0.375 1.00 0.00 C ATOM 341 CG LEU A 34 7.469 -1.007 0.326 1.00 0.00 C ATOM 342 CD1 LEU A 34 5.949 -0.988 0.364 1.00 0.00 C ATOM 343 CD2 LEU A 34 8.041 -0.914 1.733 1.00 0.00 C ATOM 0 H LEU A 34 8.901 -1.270 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 34 10.002 -1.761 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.425 -2.397 -1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.747 -3.133 0.251 1.00 0.00 H new ATOM 0 HG LEU A 34 7.807 -0.140 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.609 -0.082 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.559 -1.007 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.588 -1.861 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.671 -0.010 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.734 -1.787 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.129 -0.878 1.682 1.00 0.00 H new ATOM 355 N SER A 35 9.851 -4.318 -1.930 1.00 0.00 N ATOM 356 CA SER A 35 10.313 -5.685 -2.128 1.00 0.00 C ATOM 357 C SER A 35 11.828 -5.766 -1.974 1.00 0.00 C ATOM 358 O SER A 35 12.343 -6.568 -1.195 1.00 0.00 O ATOM 359 CB SER A 35 9.899 -6.192 -3.511 1.00 0.00 C ATOM 360 OG SER A 35 10.396 -5.347 -4.534 1.00 0.00 O ATOM 0 H SER A 35 9.425 -3.892 -2.753 1.00 0.00 H new ATOM 0 HA SER A 35 9.851 -6.316 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.274 -7.205 -3.658 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.812 -6.242 -3.573 1.00 0.00 H new ATOM 0 HG SER A 35 10.389 -4.418 -4.223 1.00 0.00 H new ATOM 366 N SER A 36 12.536 -4.927 -2.724 1.00 0.00 N ATOM 367 CA SER A 36 13.994 -4.895 -2.676 1.00 0.00 C ATOM 368 C SER A 36 14.494 -4.364 -1.334 1.00 0.00 C ATOM 369 O SER A 36 15.495 -4.841 -0.801 1.00 0.00 O ATOM 370 CB SER A 36 14.542 -4.031 -3.813 1.00 0.00 C ATOM 371 OG SER A 36 15.943 -4.195 -3.948 1.00 0.00 O ATOM 0 H SER A 36 12.122 -4.259 -3.374 1.00 0.00 H new ATOM 0 HA SER A 36 14.354 -5.917 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.050 -4.299 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.312 -2.983 -3.621 1.00 0.00 H new ATOM 0 HG SER A 36 16.269 -3.634 -4.682 1.00 0.00 H new ATOM 377 N GLU A 37 13.797 -3.365 -0.801 1.00 0.00 N ATOM 378 CA GLU A 37 14.176 -2.758 0.472 1.00 0.00 C ATOM 379 C GLU A 37 14.043 -3.753 1.621 1.00 0.00 C ATOM 380 O GLU A 37 14.954 -3.898 2.436 1.00 0.00 O ATOM 381 CB GLU A 37 13.313 -1.527 0.749 1.00 0.00 C ATOM 382 CG GLU A 37 13.724 -0.303 -0.052 1.00 0.00 C ATOM 383 CD GLU A 37 12.710 0.822 0.038 1.00 0.00 C ATOM 384 OE1 GLU A 37 11.853 0.777 0.944 1.00 0.00 O ATOM 385 OE2 GLU A 37 12.775 1.747 -0.799 1.00 0.00 O ATOM 0 H GLU A 37 12.966 -2.958 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 37 15.221 -2.457 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.273 -1.765 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.364 -1.289 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.689 0.054 0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.856 -0.585 -1.097 1.00 0.00 H new ATOM 392 N LEU A 38 12.904 -4.430 1.683 1.00 0.00 N ATOM 393 CA LEU A 38 12.656 -5.407 2.737 1.00 0.00 C ATOM 394 C LEU A 38 13.238 -6.770 2.375 1.00 0.00 C ATOM 395 O LEU A 38 13.464 -7.608 3.248 1.00 0.00 O ATOM 396 CB LEU A 38 11.154 -5.535 3.002 1.00 0.00 C ATOM 397 CG LEU A 38 10.558 -4.438 3.890 1.00 0.00 C ATOM 398 CD1 LEU A 38 9.706 -3.486 3.065 1.00 0.00 C ATOM 399 CD2 LEU A 38 9.738 -5.049 5.017 1.00 0.00 C ATOM 0 H LEU A 38 12.138 -4.322 1.018 1.00 0.00 H new ATOM 0 HA LEU A 38 13.150 -5.054 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.630 -5.533 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.963 -6.502 3.467 1.00 0.00 H new ATOM 0 HG LEU A 38 11.378 -3.870 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.291 -2.714 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.322 -3.021 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.893 -4.040 2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.323 -4.254 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.926 -5.642 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.377 -5.688 5.626 1.00 0.00 H new ATOM 411 N GLY A 39 13.479 -6.987 1.087 1.00 0.00 N ATOM 412 CA GLY A 39 14.033 -8.251 0.640 1.00 0.00 C ATOM 413 C GLY A 39 13.004 -9.364 0.637 1.00 0.00 C ATOM 414 O GLY A 39 13.351 -10.538 0.767 1.00 0.00 O ATOM 0 H GLY A 39 13.301 -6.310 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.438 -8.132 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.864 -8.530 1.288 1.00 0.00 H new ATOM 418 N LEU A 40 11.736 -8.995 0.486 1.00 0.00 N ATOM 419 CA LEU A 40 10.655 -9.974 0.464 1.00 0.00 C ATOM 420 C LEU A 40 10.049 -10.083 -0.929 1.00 0.00 C ATOM 421 O LEU A 40 10.188 -9.180 -1.753 1.00 0.00 O ATOM 422 CB LEU A 40 9.562 -9.604 1.474 1.00 0.00 C ATOM 423 CG LEU A 40 9.462 -8.117 1.821 1.00 0.00 C ATOM 424 CD1 LEU A 40 8.870 -7.339 0.656 1.00 0.00 C ATOM 425 CD2 LEU A 40 8.624 -7.922 3.076 1.00 0.00 C ATOM 0 H LEU A 40 11.432 -8.027 0.377 1.00 0.00 H new ATOM 0 HA LEU A 40 11.079 -10.939 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.601 -9.933 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.737 -10.163 2.393 1.00 0.00 H new ATOM 0 HG LEU A 40 10.465 -7.736 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.806 -6.283 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.507 -7.456 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.873 -7.719 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.562 -6.859 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.622 -8.316 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.088 -8.451 3.909 1.00 0.00 H new ATOM 437 N ASN A 41 9.369 -11.194 -1.179 1.00 0.00 N ATOM 438 CA ASN A 41 8.729 -11.426 -2.467 1.00 0.00 C ATOM 439 C ASN A 41 7.326 -10.824 -2.483 1.00 0.00 C ATOM 440 O ASN A 41 6.713 -10.624 -1.435 1.00 0.00 O ATOM 441 CB ASN A 41 8.675 -12.924 -2.785 1.00 0.00 C ATOM 442 CG ASN A 41 8.234 -13.757 -1.599 1.00 0.00 C ATOM 443 OD1 ASN A 41 9.038 -14.452 -0.977 1.00 0.00 O ATOM 444 ND2 ASN A 41 6.951 -13.687 -1.282 1.00 0.00 N ATOM 0 H ASN A 41 9.246 -11.950 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 41 9.324 -10.936 -3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.990 -13.091 -3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.660 -13.258 -3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.591 -14.223 -0.493 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.322 -13.097 -1.827 1.00 0.00 H new ATOM 451 N GLU A 42 6.829 -10.527 -3.679 1.00 0.00 N ATOM 452 CA GLU A 42 5.503 -9.936 -3.843 1.00 0.00 C ATOM 453 C GLU A 42 4.452 -10.740 -3.091 1.00 0.00 C ATOM 454 O GLU A 42 3.445 -10.200 -2.634 1.00 0.00 O ATOM 455 CB GLU A 42 5.135 -9.881 -5.323 1.00 0.00 C ATOM 456 CG GLU A 42 6.179 -9.192 -6.188 1.00 0.00 C ATOM 457 CD GLU A 42 6.993 -10.172 -7.010 1.00 0.00 C ATOM 458 OE1 GLU A 42 6.429 -11.201 -7.436 1.00 0.00 O ATOM 459 OE2 GLU A 42 8.194 -9.910 -7.226 1.00 0.00 O ATOM 0 H GLU A 42 7.327 -10.687 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 42 5.530 -8.926 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.986 -10.897 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.184 -9.360 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.684 -8.486 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.848 -8.613 -5.552 1.00 0.00 H new ATOM 466 N ALA A 43 4.697 -12.036 -2.960 1.00 0.00 N ATOM 467 CA ALA A 43 3.768 -12.914 -2.251 1.00 0.00 C ATOM 468 C ALA A 43 3.586 -12.422 -0.822 1.00 0.00 C ATOM 469 O ALA A 43 2.494 -12.491 -0.258 1.00 0.00 O ATOM 470 CB ALA A 43 4.276 -14.348 -2.263 1.00 0.00 C ATOM 0 H ALA A 43 5.524 -12.503 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 43 2.803 -12.893 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.572 -14.988 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.371 -14.692 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.249 -14.393 -1.774 1.00 0.00 H new ATOM 476 N GLN A 44 4.662 -11.882 -0.261 1.00 0.00 N ATOM 477 CA GLN A 44 4.637 -11.323 1.084 1.00 0.00 C ATOM 478 C GLN A 44 4.034 -9.927 1.033 1.00 0.00 C ATOM 479 O GLN A 44 3.441 -9.446 1.998 1.00 0.00 O ATOM 480 CB GLN A 44 6.053 -11.239 1.644 1.00 0.00 C ATOM 481 CG GLN A 44 6.554 -12.541 2.247 1.00 0.00 C ATOM 482 CD GLN A 44 6.480 -12.550 3.762 1.00 0.00 C ATOM 483 OE1 GLN A 44 7.374 -13.062 4.435 1.00 0.00 O ATOM 484 NE2 GLN A 44 5.411 -11.979 4.307 1.00 0.00 N ATOM 0 H GLN A 44 5.570 -11.820 -0.722 1.00 0.00 H new ATOM 0 HA GLN A 44 4.037 -11.966 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.731 -10.934 0.847 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.086 -10.460 2.406 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.965 -13.369 1.853 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.586 -12.707 1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.694 -11.566 3.711 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.308 -11.953 5.321 1.00 0.00 H new ATOM 493 N ILE A 45 4.204 -9.289 -0.120 1.00 0.00 N ATOM 494 CA ILE A 45 3.700 -7.945 -0.355 1.00 0.00 C ATOM 495 C ILE A 45 2.172 -7.923 -0.331 1.00 0.00 C ATOM 496 O ILE A 45 1.569 -6.998 0.209 1.00 0.00 O ATOM 497 CB ILE A 45 4.222 -7.402 -1.707 1.00 0.00 C ATOM 498 CG1 ILE A 45 5.735 -7.187 -1.633 1.00 0.00 C ATOM 499 CG2 ILE A 45 3.522 -6.107 -2.098 1.00 0.00 C ATOM 500 CD1 ILE A 45 6.139 -6.068 -0.700 1.00 0.00 C ATOM 0 H ILE A 45 4.696 -9.692 -0.918 1.00 0.00 H new ATOM 0 HA ILE A 45 4.064 -7.302 0.446 1.00 0.00 H new ATOM 0 HB ILE A 45 4.000 -8.142 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.210 -8.112 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.113 -6.971 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.914 -5.755 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.451 -6.286 -2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.700 -5.352 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.225 -5.971 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.693 -5.133 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.791 -6.292 0.309 1.00 0.00 H new ATOM 512 N LYS A 46 1.548 -8.951 -0.900 1.00 0.00 N ATOM 513 CA LYS A 46 0.091 -9.035 -0.915 1.00 0.00 C ATOM 514 C LYS A 46 -0.444 -9.001 0.511 1.00 0.00 C ATOM 515 O LYS A 46 -1.332 -8.215 0.840 1.00 0.00 O ATOM 516 CB LYS A 46 -0.364 -10.315 -1.618 1.00 0.00 C ATOM 517 CG LYS A 46 -1.775 -10.233 -2.178 1.00 0.00 C ATOM 518 CD LYS A 46 -2.423 -11.606 -2.255 1.00 0.00 C ATOM 519 CE LYS A 46 -3.754 -11.554 -2.986 1.00 0.00 C ATOM 520 NZ LYS A 46 -3.612 -11.907 -4.426 1.00 0.00 N ATOM 0 H LYS A 46 2.024 -9.731 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.304 -8.180 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.328 -10.539 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.309 -11.145 -0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.380 -9.579 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.748 -9.786 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.753 -12.297 -2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.575 -11.995 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.456 -12.240 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.178 -10.554 -2.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.542 -11.860 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.962 -11.237 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.232 -12.871 -4.511 1.00 0.00 H new ATOM 534 N ILE A 47 0.129 -9.849 1.355 1.00 0.00 N ATOM 535 CA ILE A 47 -0.252 -9.919 2.761 1.00 0.00 C ATOM 536 C ILE A 47 0.186 -8.651 3.481 1.00 0.00 C ATOM 537 O ILE A 47 -0.540 -8.094 4.303 1.00 0.00 O ATOM 538 CB ILE A 47 0.405 -11.141 3.444 1.00 0.00 C ATOM 539 CG1 ILE A 47 -0.542 -12.341 3.415 1.00 0.00 C ATOM 540 CG2 ILE A 47 0.822 -10.820 4.878 1.00 0.00 C ATOM 541 CD1 ILE A 47 -0.282 -13.289 2.264 1.00 0.00 C ATOM 0 H ILE A 47 0.865 -10.503 1.088 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.336 -10.020 2.816 1.00 0.00 H new ATOM 0 HB ILE A 47 1.306 -11.393 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.451 -12.888 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.569 -11.982 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.280 -11.700 5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.539 -9.999 4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.056 -10.531 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.991 -14.116 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.402 -12.757 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.734 -13.678 2.335 1.00 0.00 H new ATOM 553 N TRP A 48 1.393 -8.222 3.154 1.00 0.00 N ATOM 554 CA TRP A 48 1.990 -7.032 3.741 1.00 0.00 C ATOM 555 C TRP A 48 1.100 -5.824 3.513 1.00 0.00 C ATOM 556 O TRP A 48 0.779 -5.086 4.444 1.00 0.00 O ATOM 557 CB TRP A 48 3.362 -6.828 3.089 1.00 0.00 C ATOM 558 CG TRP A 48 4.143 -5.633 3.548 1.00 0.00 C ATOM 559 CD1 TRP A 48 5.272 -5.648 4.311 1.00 0.00 C ATOM 560 CD2 TRP A 48 3.890 -4.256 3.240 1.00 0.00 C ATOM 561 NE1 TRP A 48 5.733 -4.369 4.490 1.00 0.00 N ATOM 562 CE2 TRP A 48 4.902 -3.499 3.852 1.00 0.00 C ATOM 563 CE3 TRP A 48 2.909 -3.589 2.512 1.00 0.00 C ATOM 564 CZ2 TRP A 48 4.963 -2.114 3.755 1.00 0.00 C ATOM 565 CZ3 TRP A 48 2.968 -2.214 2.415 1.00 0.00 C ATOM 566 CH2 TRP A 48 3.989 -1.490 3.033 1.00 0.00 C ATOM 0 H TRP A 48 1.989 -8.690 2.472 1.00 0.00 H new ATOM 0 HA TRP A 48 2.102 -7.154 4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.963 -7.719 3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.221 -6.751 2.011 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.735 -6.536 4.715 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.567 -4.110 5.018 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.114 -4.139 2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.752 -1.553 4.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.211 -1.689 1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.008 -0.414 2.937 1.00 0.00 H new ATOM 577 N PHE A 49 0.696 -5.636 2.267 1.00 0.00 N ATOM 578 CA PHE A 49 -0.171 -4.523 1.910 1.00 0.00 C ATOM 579 C PHE A 49 -1.564 -4.706 2.476 1.00 0.00 C ATOM 580 O PHE A 49 -2.165 -3.764 2.993 1.00 0.00 O ATOM 581 CB PHE A 49 -0.195 -4.316 0.398 1.00 0.00 C ATOM 582 CG PHE A 49 0.921 -3.418 -0.029 1.00 0.00 C ATOM 583 CD1 PHE A 49 2.170 -3.938 -0.310 1.00 0.00 C ATOM 584 CD2 PHE A 49 0.738 -2.049 -0.085 1.00 0.00 C ATOM 585 CE1 PHE A 49 3.223 -3.110 -0.636 1.00 0.00 C ATOM 586 CE2 PHE A 49 1.786 -1.211 -0.424 1.00 0.00 C ATOM 587 CZ PHE A 49 3.034 -1.748 -0.694 1.00 0.00 C ATOM 0 H PHE A 49 0.954 -6.239 1.486 1.00 0.00 H new ATOM 0 HA PHE A 49 0.239 -3.618 2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.108 -5.278 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.150 -3.884 0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.323 -5.006 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.232 -1.629 0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.196 -3.530 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.632 -0.143 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.858 -1.098 -0.950 1.00 0.00 H new ATOM 597 N GLN A 50 -2.074 -5.922 2.381 1.00 0.00 N ATOM 598 CA GLN A 50 -3.396 -6.218 2.891 1.00 0.00 C ATOM 599 C GLN A 50 -3.425 -6.087 4.412 1.00 0.00 C ATOM 600 O GLN A 50 -4.450 -5.733 4.994 1.00 0.00 O ATOM 601 CB GLN A 50 -3.832 -7.624 2.476 1.00 0.00 C ATOM 602 CG GLN A 50 -4.291 -7.717 1.030 1.00 0.00 C ATOM 603 CD GLN A 50 -5.600 -8.467 0.881 1.00 0.00 C ATOM 604 OE1 GLN A 50 -6.591 -7.920 0.398 1.00 0.00 O ATOM 605 NE2 GLN A 50 -5.610 -9.728 1.298 1.00 0.00 N ATOM 0 H GLN A 50 -1.593 -6.715 1.957 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.094 -5.497 2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.002 -8.313 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.642 -7.951 3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.404 -6.712 0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.522 -8.215 0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.765 -10.142 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.463 -10.283 1.224 1.00 0.00 H new ATOM 614 N ASN A 51 -2.291 -6.376 5.051 1.00 0.00 N ATOM 615 CA ASN A 51 -2.193 -6.288 6.504 1.00 0.00 C ATOM 616 C ASN A 51 -2.236 -4.835 6.964 1.00 0.00 C ATOM 617 O ASN A 51 -2.903 -4.503 7.945 1.00 0.00 O ATOM 618 CB ASN A 51 -0.904 -6.953 6.991 1.00 0.00 C ATOM 619 CG ASN A 51 -1.123 -8.390 7.422 1.00 0.00 C ATOM 620 OD1 ASN A 51 -2.259 -8.849 7.537 1.00 0.00 O ATOM 621 ND2 ASN A 51 -0.032 -9.108 7.666 1.00 0.00 N ATOM 0 H ASN A 51 -1.433 -6.671 4.586 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.047 -6.812 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.160 -6.925 6.195 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.498 -6.384 7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.117 -10.081 7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.891 -8.687 7.558 1.00 0.00 H new ATOM 628 N LYS A 52 -1.523 -3.970 6.249 1.00 0.00 N ATOM 629 CA LYS A 52 -1.483 -2.552 6.584 1.00 0.00 C ATOM 630 C LYS A 52 -2.824 -1.889 6.287 1.00 0.00 C ATOM 631 O LYS A 52 -3.323 -1.091 7.083 1.00 0.00 O ATOM 632 CB LYS A 52 -0.367 -1.854 5.801 1.00 0.00 C ATOM 633 CG LYS A 52 0.541 -0.998 6.670 1.00 0.00 C ATOM 634 CD LYS A 52 1.997 -1.418 6.541 1.00 0.00 C ATOM 635 CE LYS A 52 2.900 -0.578 7.432 1.00 0.00 C ATOM 636 NZ LYS A 52 4.337 -0.920 7.245 1.00 0.00 N ATOM 0 H LYS A 52 -0.966 -4.227 5.434 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.280 -2.458 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.235 -2.607 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.813 -1.228 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.437 0.049 6.385 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.230 -1.077 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.098 -2.470 6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.315 -1.320 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.746 0.478 7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.623 -0.730 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.922 -0.083 7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.599 -1.687 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.496 -1.229 6.265 1.00 0.00 H new ATOM 650 N ARG A 53 -3.403 -2.225 5.140 1.00 0.00 N ATOM 651 CA ARG A 53 -4.688 -1.666 4.739 1.00 0.00 C ATOM 652 C ARG A 53 -5.650 -2.770 4.313 1.00 0.00 C ATOM 653 O ARG A 53 -5.576 -3.274 3.193 1.00 0.00 O ATOM 654 CB ARG A 53 -4.501 -0.667 3.596 1.00 0.00 C ATOM 655 CG ARG A 53 -3.562 -1.157 2.507 1.00 0.00 C ATOM 656 CD ARG A 53 -3.682 -0.314 1.247 1.00 0.00 C ATOM 657 NE ARG A 53 -3.385 1.094 1.501 1.00 0.00 N ATOM 658 CZ ARG A 53 -2.152 1.583 1.614 1.00 0.00 C ATOM 659 NH1 ARG A 53 -1.100 0.782 1.497 1.00 0.00 N ATOM 660 NH2 ARG A 53 -1.970 2.876 1.845 1.00 0.00 N ATOM 0 H ARG A 53 -3.002 -2.882 4.471 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.114 -1.147 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.473 -0.447 3.154 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.116 0.269 4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.535 -1.126 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.786 -2.198 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.000 -0.697 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.691 -0.405 0.844 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.168 1.740 1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.234 -0.213 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.157 1.162 1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.775 3.496 1.936 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.025 3.251 1.932 1.00 0.00 H new ATOM 674 N ALA A 54 -6.551 -3.141 5.216 1.00 0.00 N ATOM 675 CA ALA A 54 -7.528 -4.185 4.935 1.00 0.00 C ATOM 676 C ALA A 54 -8.811 -3.598 4.363 1.00 0.00 C ATOM 677 O ALA A 54 -9.869 -3.650 4.989 1.00 0.00 O ATOM 678 CB ALA A 54 -7.827 -4.978 6.193 1.00 0.00 C ATOM 0 H ALA A 54 -6.625 -2.734 6.148 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.101 -4.854 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.558 -5.754 5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.910 -5.439 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.228 -4.312 6.956 1.00 0.00 H new ATOM 684 N LYS A 55 -8.703 -3.040 3.167 1.00 0.00 N ATOM 685 CA LYS A 55 -9.848 -2.438 2.494 1.00 0.00 C ATOM 686 C LYS A 55 -10.451 -1.319 3.338 1.00 0.00 C ATOM 687 O LYS A 55 -11.671 -1.192 3.439 1.00 0.00 O ATOM 688 CB LYS A 55 -10.907 -3.502 2.197 1.00 0.00 C ATOM 689 CG LYS A 55 -11.485 -3.409 0.794 1.00 0.00 C ATOM 690 CD LYS A 55 -12.274 -2.125 0.600 1.00 0.00 C ATOM 691 CE LYS A 55 -12.466 -1.806 -0.874 1.00 0.00 C ATOM 692 NZ LYS A 55 -12.329 -0.349 -1.150 1.00 0.00 N ATOM 0 H LYS A 55 -7.831 -2.991 2.639 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.502 -2.009 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.467 -4.490 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.716 -3.410 2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.678 -3.455 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.132 -4.266 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.247 -2.218 1.083 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.754 -1.300 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.733 -2.357 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.452 -2.145 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.467 -0.174 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.045 0.176 -0.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.380 -0.030 -0.869 1.00 0.00 H new ATOM 706 N ILE A 56 -9.587 -0.510 3.944 1.00 0.00 N ATOM 707 CA ILE A 56 -10.034 0.598 4.779 1.00 0.00 C ATOM 708 C ILE A 56 -10.780 0.090 6.007 1.00 0.00 C ATOM 709 O ILE A 56 -11.963 -0.244 5.933 1.00 0.00 O ATOM 710 CB ILE A 56 -10.948 1.561 3.997 1.00 0.00 C ATOM 711 CG1 ILE A 56 -10.291 1.968 2.676 1.00 0.00 C ATOM 712 CG2 ILE A 56 -11.266 2.790 4.837 1.00 0.00 C ATOM 713 CD1 ILE A 56 -11.252 1.997 1.507 1.00 0.00 C ATOM 0 H ILE A 56 -8.574 -0.602 3.872 1.00 0.00 H new ATOM 0 HA ILE A 56 -9.141 1.137 5.095 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.882 1.046 3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.842 2.955 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.481 1.273 2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.912 3.460 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.773 2.484 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.340 3.307 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.718 2.293 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.682 1.006 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.049 2.713 1.709 1.00 0.00 H new ATOM 725 N LYS A 57 -10.082 0.034 7.137 1.00 0.00 N ATOM 726 CA LYS A 57 -10.680 -0.434 8.383 1.00 0.00 C ATOM 727 C LYS A 57 -11.158 -1.876 8.248 1.00 0.00 C ATOM 728 O LYS A 57 -11.027 -2.487 7.189 1.00 0.00 O ATOM 729 CB LYS A 57 -11.847 0.470 8.784 1.00 0.00 C ATOM 730 CG LYS A 57 -11.443 1.618 9.693 1.00 0.00 C ATOM 731 CD LYS A 57 -12.582 2.607 9.885 1.00 0.00 C ATOM 732 CE LYS A 57 -12.416 3.828 8.995 1.00 0.00 C ATOM 733 NZ LYS A 57 -11.629 4.900 9.664 1.00 0.00 N ATOM 0 H LYS A 57 -9.102 0.307 7.216 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.918 -0.395 9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.307 0.876 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.605 -0.131 9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.135 1.225 10.662 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.581 2.133 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.531 2.119 9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.622 2.919 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.920 3.537 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.398 4.215 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.538 5.715 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.115 5.196 10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.683 4.539 9.901 1.00 0.00 H new ATOM 747 N LYS A 58 -11.714 -2.412 9.331 1.00 0.00 N ATOM 748 CA LYS A 58 -12.214 -3.782 9.334 1.00 0.00 C ATOM 749 C LYS A 58 -13.734 -3.805 9.447 1.00 0.00 C ATOM 750 O LYS A 58 -14.423 -4.343 8.579 1.00 0.00 O ATOM 751 CB LYS A 58 -11.594 -4.570 10.488 1.00 0.00 C ATOM 752 CG LYS A 58 -11.883 -6.061 10.431 1.00 0.00 C ATOM 753 CD LYS A 58 -10.929 -6.849 11.315 1.00 0.00 C ATOM 754 CE LYS A 58 -11.497 -7.042 12.712 1.00 0.00 C ATOM 755 NZ LYS A 58 -12.877 -7.601 12.678 1.00 0.00 N ATOM 0 H LYS A 58 -11.829 -1.919 10.216 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.930 -4.248 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.515 -4.417 10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.968 -4.172 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.910 -6.246 10.747 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.799 -6.410 9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.732 -7.821 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.974 -6.327 11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.848 -7.710 13.278 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.505 -6.086 13.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.001 -8.267 13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.567 -6.828 12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.028 -8.099 11.778 1.00 0.00 H new ATOM 769 N SER A 59 -14.252 -3.219 10.521 1.00 0.00 N ATOM 770 CA SER A 59 -15.692 -3.172 10.747 1.00 0.00 C ATOM 771 C SER A 59 -16.379 -2.302 9.699 1.00 0.00 C ATOM 772 O SER A 59 -17.050 -2.867 8.810 1.00 0.00 O ATOM 773 CB SER A 59 -15.992 -2.637 12.148 1.00 0.00 C ATOM 774 OG SER A 59 -16.071 -3.692 13.091 1.00 0.00 O ATOM 775 OXT SER A 59 -16.241 -1.064 9.778 1.00 0.00 O ATOM 0 H SER A 59 -13.696 -2.770 11.249 1.00 0.00 H new ATOM 0 HA SER A 59 -16.082 -4.187 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.213 -1.935 12.447 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.932 -2.085 12.136 1.00 0.00 H new ATOM 0 HG SER A 59 -16.262 -3.324 13.979 1.00 0.00 H new TER 781 SER A 59