USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 31 THR OG1 : rot -11:sc= -1.52! USER MOD Set 1.2: A 37 GLN : amide:sc= 0.484 X(o=-1,f=-1.5) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0.0467 USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.0477 X(o=-0.00096,f=0.2) USER MOD Single : A 1 LYS N :NH3+ -164:sc= -0.0296 (180deg=-0.359) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 133:sc= -1.41! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.741 K(o=-0.74,f=-1.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0764 F(o=-1.4,f=-0.076) USER MOD Single : A 33 ASN :FLIP amide:sc= -1.23 F(o=-2.2!,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0.201 (180deg=0.201) USER MOD Single : A 44 ASN : amide:sc=-0.000974 K(o=-0.00097,f=-0.78) USER MOD Single : A 45 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.2!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.638 F(o=-2.6!,f=-0.64) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 149:sc= 1.05 (180deg=0.00644) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.138 F(o=-1.9!,f=-0.14) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.523 -20.376 5.788 1.00 50.52 N ATOM 2 CA LYS A 1 -21.640 -19.053 5.192 1.00 25.31 C ATOM 3 C LYS A 1 -21.161 -19.098 3.756 1.00 64.20 C ATOM 4 O LYS A 1 -20.001 -19.410 3.500 1.00 72.11 O ATOM 5 CB LYS A 1 -20.836 -18.030 6.005 1.00 41.42 C ATOM 6 CG LYS A 1 -21.300 -17.919 7.450 1.00 10.32 C ATOM 7 CD LYS A 1 -20.483 -16.909 8.234 1.00 63.20 C ATOM 8 CE LYS A 1 -20.981 -16.805 9.669 1.00 60.24 C ATOM 9 NZ LYS A 1 -20.230 -15.801 10.447 1.00 31.31 N ATOM 0 H1 LYS A 1 -22.089 -20.416 6.659 1.00 50.52 H new ATOM 0 H2 LYS A 1 -21.870 -21.091 5.117 1.00 50.52 H new ATOM 0 H3 LYS A 1 -20.526 -20.568 6.014 1.00 50.52 H new ATOM 0 HA LYS A 1 -22.685 -18.744 5.202 1.00 25.31 H new ATOM 0 HB2 LYS A 1 -19.782 -18.309 5.988 1.00 41.42 H new ATOM 0 HB3 LYS A 1 -20.915 -17.053 5.528 1.00 41.42 H new ATOM 0 HG2 LYS A 1 -22.351 -17.630 7.472 1.00 10.32 H new ATOM 0 HG3 LYS A 1 -21.227 -18.895 7.930 1.00 10.32 H new ATOM 0 HD2 LYS A 1 -19.433 -17.202 8.229 1.00 63.20 H new ATOM 0 HD3 LYS A 1 -20.544 -15.933 7.752 1.00 63.20 H new ATOM 0 HE2 LYS A 1 -22.039 -16.544 9.667 1.00 60.24 H new ATOM 0 HE3 LYS A 1 -20.894 -17.777 10.154 1.00 60.24 H new ATOM 0 HZ1 LYS A 1 -20.603 -15.764 11.417 1.00 31.31 H new ATOM 0 HZ2 LYS A 1 -19.224 -16.063 10.472 1.00 31.31 H new ATOM 0 HZ3 LYS A 1 -20.334 -14.867 10.001 1.00 31.31 H new ATOM 25 N PRO A 2 -22.056 -18.815 2.791 1.00 31.45 N ATOM 26 CA PRO A 2 -21.706 -18.842 1.380 1.00 41.10 C ATOM 27 C PRO A 2 -20.787 -17.685 1.042 1.00 60.42 C ATOM 28 O PRO A 2 -21.150 -16.508 1.217 1.00 23.43 O ATOM 29 CB PRO A 2 -23.056 -18.692 0.661 1.00 44.12 C ATOM 30 CG PRO A 2 -23.944 -18.009 1.644 1.00 43.43 C ATOM 31 CD PRO A 2 -23.471 -18.429 3.009 1.00 14.23 C ATOM 0 HA PRO A 2 -21.177 -19.750 1.091 1.00 41.10 H new ATOM 0 HB2 PRO A 2 -22.954 -18.106 -0.252 1.00 44.12 H new ATOM 0 HB3 PRO A 2 -23.459 -19.663 0.373 1.00 44.12 H new ATOM 0 HG2 PRO A 2 -23.889 -16.926 1.530 1.00 43.43 H new ATOM 0 HG3 PRO A 2 -24.985 -18.293 1.490 1.00 43.43 H new ATOM 0 HD2 PRO A 2 -23.557 -17.616 3.730 1.00 14.23 H new ATOM 0 HD3 PRO A 2 -24.058 -19.262 3.397 1.00 14.23 H new ATOM 39 N VAL A 3 -19.607 -17.987 0.588 1.00 53.22 N ATOM 40 CA VAL A 3 -18.673 -16.951 0.298 1.00 54.35 C ATOM 41 C VAL A 3 -18.842 -16.348 -1.091 1.00 13.14 C ATOM 42 O VAL A 3 -18.144 -16.694 -2.059 1.00 21.24 O ATOM 43 CB VAL A 3 -17.198 -17.290 0.652 1.00 21.10 C ATOM 44 CG1 VAL A 3 -17.058 -17.459 2.146 1.00 71.12 C ATOM 45 CG2 VAL A 3 -16.733 -18.545 -0.039 1.00 13.40 C ATOM 0 H VAL A 3 -19.274 -18.935 0.413 1.00 53.22 H new ATOM 0 HA VAL A 3 -18.937 -16.155 0.994 1.00 54.35 H new ATOM 0 HB VAL A 3 -16.576 -16.464 0.308 1.00 21.10 H new ATOM 0 HG11 VAL A 3 -16.023 -17.697 2.390 1.00 71.12 H new ATOM 0 HG12 VAL A 3 -17.345 -16.534 2.645 1.00 71.12 H new ATOM 0 HG13 VAL A 3 -17.705 -18.269 2.483 1.00 71.12 H new ATOM 0 HG21 VAL A 3 -15.697 -18.748 0.234 1.00 13.40 H new ATOM 0 HG22 VAL A 3 -17.360 -19.382 0.267 1.00 13.40 H new ATOM 0 HG23 VAL A 3 -16.805 -18.414 -1.119 1.00 13.40 H new ATOM 55 N SER A 4 -19.836 -15.515 -1.186 1.00 50.43 N ATOM 56 CA SER A 4 -20.095 -14.739 -2.348 1.00 11.03 C ATOM 57 C SER A 4 -19.550 -13.356 -2.054 1.00 31.30 C ATOM 58 O SER A 4 -20.058 -12.668 -1.149 1.00 54.51 O ATOM 59 CB SER A 4 -21.602 -14.694 -2.601 1.00 33.12 C ATOM 60 OG SER A 4 -22.134 -16.016 -2.717 1.00 64.41 O ATOM 0 H SER A 4 -20.504 -15.357 -0.432 1.00 50.43 H new ATOM 0 HA SER A 4 -19.627 -15.156 -3.240 1.00 11.03 H new ATOM 0 HB2 SER A 4 -22.097 -14.167 -1.785 1.00 33.12 H new ATOM 0 HB3 SER A 4 -21.806 -14.133 -3.513 1.00 33.12 H new ATOM 0 HG SER A 4 -23.100 -15.967 -2.877 1.00 64.41 H new ATOM 66 N LEU A 5 -18.496 -12.982 -2.767 1.00 75.42 N ATOM 67 CA LEU A 5 -17.753 -11.754 -2.524 1.00 12.34 C ATOM 68 C LEU A 5 -17.079 -11.818 -1.153 1.00 20.32 C ATOM 69 O LEU A 5 -17.665 -11.461 -0.127 1.00 64.23 O ATOM 70 CB LEU A 5 -18.625 -10.482 -2.669 1.00 74.12 C ATOM 71 CG LEU A 5 -17.912 -9.146 -2.435 1.00 54.22 C ATOM 72 CD1 LEU A 5 -16.790 -8.946 -3.436 1.00 72.35 C ATOM 73 CD2 LEU A 5 -18.896 -7.997 -2.495 1.00 4.24 C ATOM 0 H LEU A 5 -18.128 -13.533 -3.543 1.00 75.42 H new ATOM 0 HA LEU A 5 -16.986 -11.676 -3.295 1.00 12.34 H new ATOM 0 HB2 LEU A 5 -19.053 -10.472 -3.672 1.00 74.12 H new ATOM 0 HB3 LEU A 5 -19.457 -10.554 -1.968 1.00 74.12 H new ATOM 0 HG LEU A 5 -17.473 -9.168 -1.438 1.00 54.22 H new ATOM 0 HD11 LEU A 5 -16.301 -7.990 -3.248 1.00 72.35 H new ATOM 0 HD12 LEU A 5 -16.063 -9.752 -3.334 1.00 72.35 H new ATOM 0 HD13 LEU A 5 -17.199 -8.951 -4.446 1.00 72.35 H new ATOM 0 HD21 LEU A 5 -18.369 -7.058 -2.326 1.00 4.24 H new ATOM 0 HD22 LEU A 5 -19.371 -7.976 -3.476 1.00 4.24 H new ATOM 0 HD23 LEU A 5 -19.657 -8.129 -1.726 1.00 4.24 H new ATOM 85 N SER A 6 -15.884 -12.332 -1.141 1.00 44.33 N ATOM 86 CA SER A 6 -15.114 -12.495 0.063 1.00 43.24 C ATOM 87 C SER A 6 -13.646 -12.352 -0.272 1.00 40.11 C ATOM 88 O SER A 6 -13.287 -12.316 -1.456 1.00 21.15 O ATOM 89 CB SER A 6 -15.410 -13.865 0.683 1.00 71.54 C ATOM 90 OG SER A 6 -15.179 -14.907 -0.250 1.00 23.32 O ATOM 0 H SER A 6 -15.406 -12.656 -1.982 1.00 44.33 H new ATOM 0 HA SER A 6 -15.384 -11.731 0.792 1.00 43.24 H new ATOM 0 HB2 SER A 6 -14.782 -14.013 1.562 1.00 71.54 H new ATOM 0 HB3 SER A 6 -16.446 -13.899 1.022 1.00 71.54 H new ATOM 0 HG SER A 6 -14.653 -15.616 0.175 1.00 23.32 H new ATOM 96 N TYR A 7 -12.803 -12.270 0.722 1.00 0.23 N ATOM 97 CA TYR A 7 -11.397 -12.082 0.477 1.00 52.34 C ATOM 98 C TYR A 7 -10.575 -12.804 1.509 1.00 54.03 C ATOM 99 O TYR A 7 -11.107 -13.458 2.421 1.00 62.12 O ATOM 100 CB TYR A 7 -11.039 -10.581 0.514 1.00 71.23 C ATOM 101 CG TYR A 7 -11.197 -9.935 1.879 1.00 14.03 C ATOM 102 CD1 TYR A 7 -10.180 -10.029 2.831 1.00 44.23 C ATOM 103 CD2 TYR A 7 -12.341 -9.243 2.213 1.00 62.34 C ATOM 104 CE1 TYR A 7 -10.311 -9.444 4.074 1.00 12.42 C ATOM 105 CE2 TYR A 7 -12.480 -8.655 3.453 1.00 62.35 C ATOM 106 CZ TYR A 7 -11.466 -8.754 4.378 1.00 61.13 C ATOM 107 OH TYR A 7 -11.614 -8.166 5.616 1.00 21.31 O ATOM 0 H TYR A 7 -13.063 -12.330 1.706 1.00 0.23 H new ATOM 0 HA TYR A 7 -11.175 -12.488 -0.510 1.00 52.34 H new ATOM 0 HB2 TYR A 7 -10.008 -10.457 0.183 1.00 71.23 H new ATOM 0 HB3 TYR A 7 -11.669 -10.051 -0.201 1.00 71.23 H new ATOM 0 HD1 TYR A 7 -9.276 -10.568 2.591 1.00 44.23 H new ATOM 0 HD2 TYR A 7 -13.141 -9.160 1.493 1.00 62.34 H new ATOM 0 HE1 TYR A 7 -9.517 -9.526 4.802 1.00 12.42 H new ATOM 0 HE2 TYR A 7 -13.384 -8.117 3.698 1.00 62.35 H new ATOM 0 HH TYR A 7 -12.485 -7.720 5.664 1.00 21.31 H new ATOM 117 N ARG A 8 -9.285 -12.672 1.361 1.00 35.03 N ATOM 118 CA ARG A 8 -8.332 -13.187 2.304 1.00 62.43 C ATOM 119 C ARG A 8 -7.136 -12.243 2.378 1.00 1.44 C ATOM 120 O ARG A 8 -6.169 -12.485 3.096 1.00 22.32 O ATOM 121 CB ARG A 8 -7.867 -14.529 1.842 1.00 1.25 C ATOM 122 CG ARG A 8 -7.182 -14.474 0.497 1.00 24.04 C ATOM 123 CD ARG A 8 -6.739 -15.816 0.092 1.00 14.22 C ATOM 124 NE ARG A 8 -6.070 -15.807 -1.215 1.00 74.42 N ATOM 125 CZ ARG A 8 -5.575 -16.880 -1.835 1.00 71.14 C ATOM 126 NH1 ARG A 8 -5.623 -18.081 -1.257 1.00 64.15 N ATOM 127 NH2 ARG A 8 -5.027 -16.748 -3.032 1.00 42.31 N ATOM 0 H ARG A 8 -8.860 -12.194 0.566 1.00 35.03 H new ATOM 0 HA ARG A 8 -8.795 -13.272 3.287 1.00 62.43 H new ATOM 0 HB2 ARG A 8 -7.180 -14.945 2.579 1.00 1.25 H new ATOM 0 HB3 ARG A 8 -8.720 -15.205 1.784 1.00 1.25 H new ATOM 0 HG2 ARG A 8 -7.865 -14.069 -0.250 1.00 24.04 H new ATOM 0 HG3 ARG A 8 -6.326 -13.801 0.545 1.00 24.04 H new ATOM 0 HD2 ARG A 8 -6.058 -16.215 0.844 1.00 14.22 H new ATOM 0 HD3 ARG A 8 -7.599 -16.485 0.054 1.00 14.22 H new ATOM 0 HE ARG A 8 -5.976 -14.908 -1.687 1.00 74.42 H new ATOM 0 HH11 ARG A 8 -6.041 -18.186 -0.332 1.00 64.15 H new ATOM 0 HH12 ARG A 8 -5.242 -18.895 -1.740 1.00 64.15 H new ATOM 0 HH21 ARG A 8 -4.985 -15.830 -3.475 1.00 42.31 H new ATOM 0 HH22 ARG A 8 -4.647 -17.564 -3.512 1.00 42.31 H new ATOM 141 N CYS A 9 -7.215 -11.178 1.645 1.00 4.21 N ATOM 142 CA CYS A 9 -6.115 -10.265 1.545 1.00 73.31 C ATOM 143 C CYS A 9 -6.449 -8.975 2.237 1.00 1.42 C ATOM 144 O CYS A 9 -7.578 -8.501 2.142 1.00 33.51 O ATOM 145 CB CYS A 9 -5.823 -9.983 0.072 1.00 41.11 C ATOM 146 SG CYS A 9 -5.451 -11.466 -0.907 1.00 34.12 S ATOM 0 H CYS A 9 -8.037 -10.915 1.101 1.00 4.21 H new ATOM 0 HA CYS A 9 -5.240 -10.710 2.019 1.00 73.31 H new ATOM 0 HB2 CYS A 9 -6.683 -9.477 -0.367 1.00 41.11 H new ATOM 0 HB3 CYS A 9 -4.980 -9.295 0.005 1.00 41.11 H new ATOM 151 N PRO A 10 -5.474 -8.379 2.955 1.00 11.10 N ATOM 152 CA PRO A 10 -5.659 -7.075 3.599 1.00 74.05 C ATOM 153 C PRO A 10 -6.013 -6.018 2.559 1.00 23.32 C ATOM 154 O PRO A 10 -6.758 -5.076 2.826 1.00 2.33 O ATOM 155 CB PRO A 10 -4.283 -6.769 4.211 1.00 3.02 C ATOM 156 CG PRO A 10 -3.607 -8.091 4.337 1.00 2.21 C ATOM 157 CD PRO A 10 -4.144 -8.956 3.236 1.00 12.23 C ATOM 0 HA PRO A 10 -6.463 -7.078 4.335 1.00 74.05 H new ATOM 0 HB2 PRO A 10 -3.711 -6.094 3.575 1.00 3.02 H new ATOM 0 HB3 PRO A 10 -4.383 -6.284 5.182 1.00 3.02 H new ATOM 0 HG2 PRO A 10 -2.526 -7.983 4.252 1.00 2.21 H new ATOM 0 HG3 PRO A 10 -3.807 -8.536 5.312 1.00 2.21 H new ATOM 0 HD2 PRO A 10 -3.502 -8.929 2.356 1.00 12.23 H new ATOM 0 HD3 PRO A 10 -4.217 -9.999 3.545 1.00 12.23 H new ATOM 165 N CYS A 11 -5.482 -6.201 1.368 1.00 72.45 N ATOM 166 CA CYS A 11 -5.746 -5.318 0.278 1.00 62.22 C ATOM 167 C CYS A 11 -6.119 -6.102 -0.949 1.00 34.53 C ATOM 168 O CYS A 11 -5.287 -6.785 -1.549 1.00 63.21 O ATOM 169 CB CYS A 11 -4.545 -4.437 -0.002 1.00 33.12 C ATOM 170 SG CYS A 11 -4.052 -3.418 1.416 1.00 61.41 S ATOM 0 H CYS A 11 -4.855 -6.972 1.140 1.00 72.45 H new ATOM 0 HA CYS A 11 -6.584 -4.676 0.551 1.00 62.22 H new ATOM 0 HB2 CYS A 11 -3.705 -5.065 -0.298 1.00 33.12 H new ATOM 0 HB3 CYS A 11 -4.770 -3.786 -0.847 1.00 33.12 H new ATOM 175 N ARG A 12 -7.375 -6.056 -1.274 1.00 4.42 N ATOM 176 CA ARG A 12 -7.888 -6.678 -2.465 1.00 2.32 C ATOM 177 C ARG A 12 -7.920 -5.635 -3.580 1.00 31.21 C ATOM 178 O ARG A 12 -7.769 -5.952 -4.758 1.00 61.03 O ATOM 179 CB ARG A 12 -9.282 -7.264 -2.185 1.00 75.44 C ATOM 180 CG ARG A 12 -9.966 -7.910 -3.377 1.00 73.44 C ATOM 181 CD ARG A 12 -11.291 -8.539 -2.969 1.00 72.42 C ATOM 182 NE ARG A 12 -12.213 -7.575 -2.344 1.00 72.44 N ATOM 183 CZ ARG A 12 -13.356 -7.902 -1.717 1.00 11.12 C ATOM 184 NH1 ARG A 12 -13.751 -9.171 -1.663 1.00 63.42 N ATOM 185 NH2 ARG A 12 -14.115 -6.949 -1.165 1.00 24.42 N ATOM 0 H ARG A 12 -8.084 -5.581 -0.716 1.00 4.42 H new ATOM 0 HA ARG A 12 -7.248 -7.502 -2.779 1.00 2.32 H new ATOM 0 HB2 ARG A 12 -9.193 -8.006 -1.392 1.00 75.44 H new ATOM 0 HB3 ARG A 12 -9.923 -6.468 -1.806 1.00 75.44 H new ATOM 0 HG2 ARG A 12 -10.137 -7.163 -4.152 1.00 73.44 H new ATOM 0 HG3 ARG A 12 -9.315 -8.671 -3.806 1.00 73.44 H new ATOM 0 HD2 ARG A 12 -11.768 -8.973 -3.848 1.00 72.42 H new ATOM 0 HD3 ARG A 12 -11.101 -9.356 -2.273 1.00 72.42 H new ATOM 0 HE ARG A 12 -11.966 -6.587 -2.390 1.00 72.44 H new ATOM 0 HH11 ARG A 12 -13.186 -9.900 -2.098 1.00 63.42 H new ATOM 0 HH12 ARG A 12 -14.619 -9.415 -1.186 1.00 63.42 H new ATOM 0 HH21 ARG A 12 -13.827 -5.972 -1.219 1.00 24.42 H new ATOM 0 HH22 ARG A 12 -14.982 -7.199 -0.690 1.00 24.42 H new ATOM 199 N PHE A 13 -8.087 -4.389 -3.184 1.00 42.00 N ATOM 200 CA PHE A 13 -8.088 -3.273 -4.101 1.00 54.52 C ATOM 201 C PHE A 13 -7.005 -2.293 -3.733 1.00 35.42 C ATOM 202 O PHE A 13 -6.770 -2.007 -2.553 1.00 21.32 O ATOM 203 CB PHE A 13 -9.450 -2.581 -4.173 1.00 31.51 C ATOM 204 CG PHE A 13 -10.538 -3.452 -4.737 1.00 43.01 C ATOM 205 CD1 PHE A 13 -10.739 -3.520 -6.107 1.00 54.41 C ATOM 206 CD2 PHE A 13 -11.353 -4.203 -3.908 1.00 43.54 C ATOM 207 CE1 PHE A 13 -11.730 -4.318 -6.637 1.00 62.02 C ATOM 208 CE2 PHE A 13 -12.347 -5.004 -4.435 1.00 41.11 C ATOM 209 CZ PHE A 13 -12.535 -5.061 -5.802 1.00 74.33 C ATOM 0 H PHE A 13 -8.227 -4.123 -2.209 1.00 42.00 H new ATOM 0 HA PHE A 13 -7.884 -3.668 -5.096 1.00 54.52 H new ATOM 0 HB2 PHE A 13 -9.737 -2.257 -3.173 1.00 31.51 H new ATOM 0 HB3 PHE A 13 -9.360 -1.684 -4.785 1.00 31.51 H new ATOM 0 HD1 PHE A 13 -10.111 -2.940 -6.767 1.00 54.41 H new ATOM 0 HD2 PHE A 13 -11.210 -4.162 -2.838 1.00 43.54 H new ATOM 0 HE1 PHE A 13 -11.875 -4.361 -7.706 1.00 62.02 H new ATOM 0 HE2 PHE A 13 -12.977 -5.586 -3.778 1.00 41.11 H new ATOM 0 HZ PHE A 13 -13.312 -5.687 -6.216 1.00 74.33 H new ATOM 219 N PHE A 14 -6.354 -1.794 -4.734 1.00 33.40 N ATOM 220 CA PHE A 14 -5.229 -0.922 -4.590 1.00 20.35 C ATOM 221 C PHE A 14 -5.470 0.429 -5.234 1.00 23.54 C ATOM 222 O PHE A 14 -6.238 0.551 -6.194 1.00 2.01 O ATOM 223 CB PHE A 14 -4.019 -1.558 -5.249 1.00 51.53 C ATOM 224 CG PHE A 14 -3.565 -2.809 -4.595 1.00 41.30 C ATOM 225 CD1 PHE A 14 -2.757 -2.736 -3.508 1.00 13.33 C ATOM 226 CD2 PHE A 14 -3.946 -4.053 -5.066 1.00 62.24 C ATOM 227 CE1 PHE A 14 -2.315 -3.853 -2.877 1.00 0.10 C ATOM 228 CE2 PHE A 14 -3.506 -5.202 -4.439 1.00 21.13 C ATOM 229 CZ PHE A 14 -2.685 -5.101 -3.337 1.00 43.44 C ATOM 0 H PHE A 14 -6.597 -1.987 -5.706 1.00 33.40 H new ATOM 0 HA PHE A 14 -5.065 -0.769 -3.523 1.00 20.35 H new ATOM 0 HB2 PHE A 14 -4.255 -1.770 -6.292 1.00 51.53 H new ATOM 0 HB3 PHE A 14 -3.198 -0.841 -5.248 1.00 51.53 H new ATOM 0 HD1 PHE A 14 -2.459 -1.767 -3.136 1.00 13.33 H new ATOM 0 HD2 PHE A 14 -4.591 -4.126 -5.929 1.00 62.24 H new ATOM 0 HE1 PHE A 14 -1.673 -3.766 -2.013 1.00 0.10 H new ATOM 0 HE2 PHE A 14 -3.803 -6.172 -4.809 1.00 21.13 H new ATOM 0 HZ PHE A 14 -2.334 -5.991 -2.837 1.00 43.44 H new ATOM 239 N GLU A 15 -4.845 1.430 -4.692 1.00 22.12 N ATOM 240 CA GLU A 15 -4.849 2.738 -5.249 1.00 31.33 C ATOM 241 C GLU A 15 -3.445 3.051 -5.715 1.00 53.13 C ATOM 242 O GLU A 15 -2.493 2.984 -4.942 1.00 61.43 O ATOM 243 CB GLU A 15 -5.315 3.776 -4.222 1.00 24.01 C ATOM 244 CG GLU A 15 -5.341 5.208 -4.758 1.00 15.44 C ATOM 245 CD GLU A 15 -6.159 5.365 -6.020 1.00 31.33 C ATOM 246 OE1 GLU A 15 -5.621 5.094 -7.113 1.00 21.05 O ATOM 247 OE2 GLU A 15 -7.337 5.786 -5.942 1.00 25.05 O ATOM 0 H GLU A 15 -4.307 1.352 -3.829 1.00 22.12 H new ATOM 0 HA GLU A 15 -5.546 2.778 -6.086 1.00 31.33 H new ATOM 0 HB2 GLU A 15 -6.314 3.509 -3.878 1.00 24.01 H new ATOM 0 HB3 GLU A 15 -4.657 3.735 -3.354 1.00 24.01 H new ATOM 0 HG2 GLU A 15 -5.743 5.868 -3.989 1.00 15.44 H new ATOM 0 HG3 GLU A 15 -4.319 5.533 -4.954 1.00 15.44 H new ATOM 254 N SER A 16 -3.317 3.353 -6.955 1.00 52.42 N ATOM 255 CA SER A 16 -2.052 3.660 -7.534 1.00 71.54 C ATOM 256 C SER A 16 -1.865 5.173 -7.640 1.00 4.02 C ATOM 257 O SER A 16 -0.764 5.665 -7.821 1.00 34.21 O ATOM 258 CB SER A 16 -1.999 3.006 -8.898 1.00 1.52 C ATOM 259 OG SER A 16 -3.167 3.334 -9.633 1.00 13.13 O ATOM 0 H SER A 16 -4.098 3.396 -7.610 1.00 52.42 H new ATOM 0 HA SER A 16 -1.243 3.281 -6.909 1.00 71.54 H new ATOM 0 HB2 SER A 16 -1.113 3.340 -9.438 1.00 1.52 H new ATOM 0 HB3 SER A 16 -1.918 1.924 -8.790 1.00 1.52 H new ATOM 0 HG SER A 16 -3.128 2.910 -10.516 1.00 13.13 H new ATOM 265 N HIS A 17 -2.946 5.902 -7.481 1.00 62.31 N ATOM 266 CA HIS A 17 -2.944 7.354 -7.654 1.00 73.14 C ATOM 267 C HIS A 17 -2.612 8.100 -6.360 1.00 71.24 C ATOM 268 O HIS A 17 -2.983 9.268 -6.197 1.00 71.34 O ATOM 269 CB HIS A 17 -4.296 7.824 -8.223 1.00 23.34 C ATOM 270 CG HIS A 17 -4.580 7.323 -9.608 1.00 74.44 C ATOM 271 ND1 HIS A 17 -4.667 8.140 -10.709 1.00 4.55 N ATOM 272 CD2 HIS A 17 -4.815 6.082 -10.054 1.00 32.12 C ATOM 273 CE1 HIS A 17 -4.938 7.413 -11.772 1.00 32.21 C ATOM 274 NE2 HIS A 17 -5.030 6.160 -11.399 1.00 73.13 N ATOM 0 H HIS A 17 -3.855 5.515 -7.228 1.00 62.31 H new ATOM 0 HA HIS A 17 -2.153 7.593 -8.365 1.00 73.14 H new ATOM 0 HB2 HIS A 17 -5.094 7.494 -7.557 1.00 23.34 H new ATOM 0 HB3 HIS A 17 -4.317 8.914 -8.230 1.00 23.34 H new ATOM 0 HD2 HIS A 17 -4.831 5.182 -9.457 1.00 32.12 H new ATOM 0 HE1 HIS A 17 -5.063 7.785 -12.778 1.00 32.21 H new ATOM 0 HE2 HIS A 17 -5.230 5.371 -12.014 1.00 73.13 H new ATOM 283 N VAL A 18 -1.897 7.451 -5.460 1.00 23.13 N ATOM 284 CA VAL A 18 -1.471 8.091 -4.234 1.00 71.12 C ATOM 285 C VAL A 18 -0.118 8.755 -4.491 1.00 33.25 C ATOM 286 O VAL A 18 0.734 8.182 -5.182 1.00 31.25 O ATOM 287 CB VAL A 18 -1.311 7.069 -3.077 1.00 62.35 C ATOM 288 CG1 VAL A 18 -1.043 7.775 -1.765 1.00 65.13 C ATOM 289 CG2 VAL A 18 -2.517 6.167 -2.959 1.00 64.13 C ATOM 0 H VAL A 18 -1.600 6.480 -5.557 1.00 23.13 H new ATOM 0 HA VAL A 18 -2.228 8.818 -3.940 1.00 71.12 H new ATOM 0 HB VAL A 18 -0.451 6.442 -3.314 1.00 62.35 H new ATOM 0 HG11 VAL A 18 -0.935 7.037 -0.970 1.00 65.13 H new ATOM 0 HG12 VAL A 18 -0.126 8.358 -1.846 1.00 65.13 H new ATOM 0 HG13 VAL A 18 -1.875 8.439 -1.533 1.00 65.13 H new ATOM 0 HG21 VAL A 18 -2.368 5.465 -2.138 1.00 64.13 H new ATOM 0 HG22 VAL A 18 -3.404 6.769 -2.764 1.00 64.13 H new ATOM 0 HG23 VAL A 18 -2.650 5.614 -3.889 1.00 64.13 H new ATOM 299 N ALA A 19 0.075 9.940 -3.970 1.00 34.14 N ATOM 300 CA ALA A 19 1.318 10.660 -4.149 1.00 2.32 C ATOM 301 C ALA A 19 2.141 10.538 -2.892 1.00 32.45 C ATOM 302 O ALA A 19 1.606 10.730 -1.793 1.00 42.21 O ATOM 303 CB ALA A 19 1.035 12.124 -4.442 1.00 64.40 C ATOM 0 H ALA A 19 -0.620 10.435 -3.411 1.00 34.14 H new ATOM 0 HA ALA A 19 1.867 10.236 -4.990 1.00 2.32 H new ATOM 0 HB1 ALA A 19 1.976 12.657 -4.575 1.00 64.40 H new ATOM 0 HB2 ALA A 19 0.441 12.205 -5.352 1.00 64.40 H new ATOM 0 HB3 ALA A 19 0.485 12.562 -3.609 1.00 64.40 H new ATOM 309 N ARG A 20 3.437 10.241 -3.038 1.00 40.11 N ATOM 310 CA ARG A 20 4.333 10.066 -1.885 1.00 30.22 C ATOM 311 C ARG A 20 4.304 11.283 -0.952 1.00 23.45 C ATOM 312 O ARG A 20 4.354 11.137 0.266 1.00 12.15 O ATOM 313 CB ARG A 20 5.770 9.775 -2.332 1.00 61.11 C ATOM 314 CG ARG A 20 6.768 9.657 -1.182 1.00 62.20 C ATOM 315 CD ARG A 20 8.170 9.418 -1.689 1.00 62.42 C ATOM 316 NE ARG A 20 9.164 9.467 -0.613 1.00 50.45 N ATOM 317 CZ ARG A 20 10.435 9.062 -0.733 1.00 64.34 C ATOM 318 NH1 ARG A 20 10.865 8.524 -1.877 1.00 24.42 N ATOM 319 NH2 ARG A 20 11.272 9.189 0.293 1.00 63.52 N ATOM 0 H ARG A 20 3.891 10.116 -3.943 1.00 40.11 H new ATOM 0 HA ARG A 20 3.964 9.205 -1.328 1.00 30.22 H new ATOM 0 HB2 ARG A 20 5.780 8.848 -2.905 1.00 61.11 H new ATOM 0 HB3 ARG A 20 6.098 10.568 -3.004 1.00 61.11 H new ATOM 0 HG2 ARG A 20 6.746 10.569 -0.585 1.00 62.20 H new ATOM 0 HG3 ARG A 20 6.473 8.839 -0.525 1.00 62.20 H new ATOM 0 HD2 ARG A 20 8.216 8.446 -2.180 1.00 62.42 H new ATOM 0 HD3 ARG A 20 8.415 10.167 -2.442 1.00 62.42 H new ATOM 0 HE ARG A 20 8.867 9.835 0.291 1.00 50.45 H new ATOM 0 HH11 ARG A 20 10.225 8.420 -2.664 1.00 24.42 H new ATOM 0 HH12 ARG A 20 11.834 8.217 -1.964 1.00 24.42 H new ATOM 0 HH21 ARG A 20 10.946 9.595 1.170 1.00 63.52 H new ATOM 0 HH22 ARG A 20 12.240 8.881 0.203 1.00 63.52 H new ATOM 333 N ALA A 21 4.182 12.463 -1.534 1.00 13.32 N ATOM 334 CA ALA A 21 4.142 13.716 -0.788 1.00 73.41 C ATOM 335 C ALA A 21 2.957 13.765 0.183 1.00 51.43 C ATOM 336 O ALA A 21 3.033 14.410 1.243 1.00 72.41 O ATOM 337 CB ALA A 21 4.082 14.895 -1.749 1.00 32.21 C ATOM 0 H ALA A 21 4.107 12.583 -2.544 1.00 13.32 H new ATOM 0 HA ALA A 21 5.055 13.777 -0.196 1.00 73.41 H new ATOM 0 HB1 ALA A 21 4.052 15.825 -1.182 1.00 32.21 H new ATOM 0 HB2 ALA A 21 4.964 14.888 -2.389 1.00 32.21 H new ATOM 0 HB3 ALA A 21 3.186 14.817 -2.365 1.00 32.21 H new ATOM 343 N ASN A 22 1.881 13.069 -0.161 1.00 43.05 N ATOM 344 CA ASN A 22 0.680 13.060 0.665 1.00 1.03 C ATOM 345 C ASN A 22 0.664 11.824 1.565 1.00 34.35 C ATOM 346 O ASN A 22 -0.157 11.701 2.464 1.00 41.21 O ATOM 347 CB ASN A 22 -0.576 13.097 -0.218 1.00 1.34 C ATOM 348 CG ASN A 22 -1.880 13.220 0.573 1.00 14.22 C ATOM 349 OD1 ASN A 22 -1.931 13.833 1.663 1.00 31.43 O ATOM 350 ND2 ASN A 22 -2.926 12.644 0.052 1.00 51.31 N ATOM 0 H ASN A 22 1.815 12.503 -1.007 1.00 43.05 H new ATOM 0 HA ASN A 22 0.685 13.948 1.296 1.00 1.03 H new ATOM 0 HB2 ASN A 22 -0.499 13.937 -0.908 1.00 1.34 H new ATOM 0 HB3 ASN A 22 -0.612 12.190 -0.822 1.00 1.34 H new ATOM 0 HD21 ASN A 22 -3.824 12.684 0.535 1.00 51.31 H new ATOM 0 HD22 ASN A 22 -2.847 12.153 -0.839 1.00 51.31 H new ATOM 357 N VAL A 23 1.573 10.918 1.319 1.00 73.23 N ATOM 358 CA VAL A 23 1.681 9.725 2.135 1.00 52.25 C ATOM 359 C VAL A 23 2.372 10.073 3.447 1.00 50.42 C ATOM 360 O VAL A 23 3.522 10.528 3.446 1.00 50.15 O ATOM 361 CB VAL A 23 2.480 8.600 1.416 1.00 1.44 C ATOM 362 CG1 VAL A 23 2.579 7.367 2.289 1.00 24.02 C ATOM 363 CG2 VAL A 23 1.830 8.245 0.100 1.00 74.23 C ATOM 0 H VAL A 23 2.253 10.978 0.561 1.00 73.23 H new ATOM 0 HA VAL A 23 0.673 9.354 2.320 1.00 52.25 H new ATOM 0 HB VAL A 23 3.486 8.974 1.225 1.00 1.44 H new ATOM 0 HG11 VAL A 23 3.142 6.594 1.765 1.00 24.02 H new ATOM 0 HG12 VAL A 23 3.089 7.620 3.219 1.00 24.02 H new ATOM 0 HG13 VAL A 23 1.578 6.998 2.512 1.00 24.02 H new ATOM 0 HG21 VAL A 23 2.403 7.457 -0.388 1.00 74.23 H new ATOM 0 HG22 VAL A 23 0.813 7.896 0.279 1.00 74.23 H new ATOM 0 HG23 VAL A 23 1.804 9.125 -0.542 1.00 74.23 H new ATOM 373 N LYS A 24 1.671 9.889 4.555 1.00 52.40 N ATOM 374 CA LYS A 24 2.220 10.162 5.861 1.00 73.22 C ATOM 375 C LYS A 24 3.313 9.173 6.128 1.00 53.23 C ATOM 376 O LYS A 24 4.466 9.533 6.345 1.00 74.14 O ATOM 377 CB LYS A 24 1.124 10.034 6.918 1.00 52.04 C ATOM 378 CG LYS A 24 1.517 10.369 8.276 1.00 15.25 C ATOM 379 CD LYS A 24 0.288 10.413 9.119 1.00 54.14 C ATOM 380 CE LYS A 24 0.633 10.876 10.453 1.00 11.55 C ATOM 381 NZ LYS A 24 -0.539 10.920 11.360 1.00 15.11 N ATOM 0 H LYS A 24 0.710 9.547 4.568 1.00 52.40 H new ATOM 0 HA LYS A 24 2.620 11.175 5.899 1.00 73.22 H new ATOM 0 HB2 LYS A 24 0.291 10.676 6.631 1.00 52.04 H new ATOM 0 HB3 LYS A 24 0.754 9.009 6.909 1.00 52.04 H new ATOM 0 HG2 LYS A 24 2.217 9.628 8.663 1.00 15.25 H new ATOM 0 HG3 LYS A 24 2.027 11.332 8.297 1.00 15.25 H new ATOM 0 HD2 LYS A 24 -0.450 11.078 8.671 1.00 54.14 H new ATOM 0 HD3 LYS A 24 -0.166 9.423 9.172 1.00 54.14 H new ATOM 0 HE2 LYS A 24 1.392 10.219 10.877 1.00 11.55 H new ATOM 0 HE3 LYS A 24 1.074 11.871 10.386 1.00 11.55 H new ATOM 0 HZ1 LYS A 24 -0.240 11.256 12.298 1.00 15.11 H new ATOM 0 HZ2 LYS A 24 -1.254 11.568 10.972 1.00 15.11 H new ATOM 0 HZ3 LYS A 24 -0.946 9.967 11.448 1.00 15.11 H new ATOM 395 N ARG A 25 2.946 7.944 6.081 1.00 73.30 N ATOM 396 CA ARG A 25 3.859 6.863 6.249 1.00 31.15 C ATOM 397 C ARG A 25 3.274 5.677 5.537 1.00 11.53 C ATOM 398 O ARG A 25 2.036 5.572 5.431 1.00 50.14 O ATOM 399 CB ARG A 25 4.039 6.546 7.725 1.00 44.05 C ATOM 400 CG ARG A 25 5.111 5.515 7.991 1.00 13.34 C ATOM 401 CD ARG A 25 5.187 5.138 9.442 1.00 5.21 C ATOM 402 NE ARG A 25 6.261 4.168 9.683 1.00 24.25 N ATOM 403 CZ ARG A 25 6.324 3.345 10.732 1.00 42.33 C ATOM 404 NH1 ARG A 25 5.334 3.327 11.628 1.00 14.14 N ATOM 405 NH2 ARG A 25 7.366 2.527 10.874 1.00 34.33 N ATOM 0 H ARG A 25 1.982 7.651 5.921 1.00 73.30 H new ATOM 0 HA ARG A 25 4.837 7.120 5.843 1.00 31.15 H new ATOM 0 HB2 ARG A 25 4.287 7.464 8.258 1.00 44.05 H new ATOM 0 HB3 ARG A 25 3.093 6.188 8.130 1.00 44.05 H new ATOM 0 HG2 ARG A 25 4.912 4.624 7.396 1.00 13.34 H new ATOM 0 HG3 ARG A 25 6.076 5.905 7.668 1.00 13.34 H new ATOM 0 HD2 ARG A 25 5.358 6.031 10.044 1.00 5.21 H new ATOM 0 HD3 ARG A 25 4.234 4.716 9.761 1.00 5.21 H new ATOM 0 HE ARG A 25 7.015 4.119 8.998 1.00 24.25 H new ATOM 0 HH11 ARG A 25 4.529 3.942 11.511 1.00 14.14 H new ATOM 0 HH12 ARG A 25 5.383 2.698 12.429 1.00 14.14 H new ATOM 0 HH21 ARG A 25 8.115 2.530 10.181 1.00 34.33 H new ATOM 0 HH22 ARG A 25 7.415 1.898 11.675 1.00 34.33 H new ATOM 419 N LEU A 26 4.105 4.798 5.053 1.00 54.41 N ATOM 420 CA LEU A 26 3.618 3.659 4.348 1.00 25.44 C ATOM 421 C LEU A 26 4.425 2.445 4.683 1.00 33.15 C ATOM 422 O LEU A 26 5.555 2.550 5.179 1.00 21.52 O ATOM 423 CB LEU A 26 3.579 3.858 2.828 1.00 71.34 C ATOM 424 CG LEU A 26 4.892 3.917 2.053 1.00 12.12 C ATOM 425 CD1 LEU A 26 4.562 3.906 0.611 1.00 4.01 C ATOM 426 CD2 LEU A 26 5.704 5.159 2.355 1.00 34.24 C ATOM 0 H LEU A 26 5.120 4.853 5.136 1.00 54.41 H new ATOM 0 HA LEU A 26 2.588 3.518 4.676 1.00 25.44 H new ATOM 0 HB2 LEU A 26 2.985 3.048 2.406 1.00 71.34 H new ATOM 0 HB3 LEU A 26 3.040 4.785 2.632 1.00 71.34 H new ATOM 0 HG LEU A 26 5.498 3.060 2.349 1.00 12.12 H new ATOM 0 HD11 LEU A 26 5.481 3.947 0.027 1.00 4.01 H new ATOM 0 HD12 LEU A 26 4.019 2.992 0.369 1.00 4.01 H new ATOM 0 HD13 LEU A 26 3.942 4.770 0.373 1.00 4.01 H new ATOM 0 HD21 LEU A 26 6.625 5.142 1.773 1.00 34.24 H new ATOM 0 HD22 LEU A 26 5.126 6.045 2.092 1.00 34.24 H new ATOM 0 HD23 LEU A 26 5.946 5.186 3.417 1.00 34.24 H new ATOM 438 N LYS A 27 3.861 1.303 4.423 1.00 21.00 N ATOM 439 CA LYS A 27 4.512 0.070 4.715 1.00 50.34 C ATOM 440 C LYS A 27 4.148 -0.969 3.677 1.00 10.23 C ATOM 441 O LYS A 27 3.016 -0.989 3.178 1.00 74.04 O ATOM 442 CB LYS A 27 4.117 -0.399 6.113 1.00 4.55 C ATOM 443 CG LYS A 27 4.820 -1.643 6.584 1.00 32.31 C ATOM 444 CD LYS A 27 4.541 -1.881 8.045 1.00 63.10 C ATOM 445 CE LYS A 27 5.179 -0.809 8.926 1.00 41.03 C ATOM 446 NZ LYS A 27 5.016 -1.113 10.362 1.00 72.42 N ATOM 0 H LYS A 27 2.937 1.205 4.003 1.00 21.00 H new ATOM 0 HA LYS A 27 5.592 0.215 4.687 1.00 50.34 H new ATOM 0 HB2 LYS A 27 4.318 0.405 6.821 1.00 4.55 H new ATOM 0 HB3 LYS A 27 3.042 -0.578 6.131 1.00 4.55 H new ATOM 0 HG2 LYS A 27 4.487 -2.500 5.999 1.00 32.31 H new ATOM 0 HG3 LYS A 27 5.894 -1.545 6.423 1.00 32.31 H new ATOM 0 HD2 LYS A 27 3.464 -1.895 8.212 1.00 63.10 H new ATOM 0 HD3 LYS A 27 4.921 -2.861 8.333 1.00 63.10 H new ATOM 0 HE2 LYS A 27 6.240 -0.728 8.689 1.00 41.03 H new ATOM 0 HE3 LYS A 27 4.728 0.159 8.706 1.00 41.03 H new ATOM 0 HZ1 LYS A 27 5.462 -0.363 10.928 1.00 72.42 H new ATOM 0 HZ2 LYS A 27 4.003 -1.166 10.593 1.00 72.42 H new ATOM 0 HZ3 LYS A 27 5.468 -2.025 10.577 1.00 72.42 H new ATOM 460 N ILE A 28 5.112 -1.786 3.335 1.00 65.13 N ATOM 461 CA ILE A 28 4.941 -2.882 2.415 1.00 45.23 C ATOM 462 C ILE A 28 4.860 -4.193 3.187 1.00 4.32 C ATOM 463 O ILE A 28 5.706 -4.476 4.048 1.00 13.24 O ATOM 464 CB ILE A 28 6.104 -2.930 1.375 1.00 1.30 C ATOM 465 CG1 ILE A 28 6.020 -1.741 0.406 1.00 73.43 C ATOM 466 CG2 ILE A 28 6.170 -4.240 0.641 1.00 13.02 C ATOM 467 CD1 ILE A 28 7.005 -1.803 -0.747 1.00 1.32 C ATOM 0 H ILE A 28 6.062 -1.705 3.698 1.00 65.13 H new ATOM 0 HA ILE A 28 4.011 -2.732 1.866 1.00 45.23 H new ATOM 0 HB ILE A 28 7.036 -2.848 1.934 1.00 1.30 H new ATOM 0 HG12 ILE A 28 5.009 -1.687 0.002 1.00 73.43 H new ATOM 0 HG13 ILE A 28 6.190 -0.820 0.964 1.00 73.43 H new ATOM 0 HG21 ILE A 28 6.997 -4.218 -0.069 1.00 13.02 H new ATOM 0 HG22 ILE A 28 6.326 -5.049 1.354 1.00 13.02 H new ATOM 0 HG23 ILE A 28 5.235 -4.404 0.105 1.00 13.02 H new ATOM 0 HD11 ILE A 28 6.878 -0.926 -1.382 1.00 1.32 H new ATOM 0 HD12 ILE A 28 8.022 -1.823 -0.356 1.00 1.32 H new ATOM 0 HD13 ILE A 28 6.823 -2.704 -1.333 1.00 1.32 H new ATOM 479 N LEU A 29 3.844 -4.972 2.892 1.00 21.22 N ATOM 480 CA LEU A 29 3.619 -6.228 3.549 1.00 42.44 C ATOM 481 C LEU A 29 3.423 -7.312 2.468 1.00 73.03 C ATOM 482 O LEU A 29 2.427 -7.307 1.736 1.00 20.45 O ATOM 483 CB LEU A 29 2.366 -6.081 4.460 1.00 14.32 C ATOM 484 CG LEU A 29 2.080 -7.168 5.530 1.00 63.12 C ATOM 485 CD1 LEU A 29 1.715 -8.497 4.922 1.00 12.31 C ATOM 486 CD2 LEU A 29 3.263 -7.315 6.471 1.00 12.03 C ATOM 0 H LEU A 29 3.148 -4.745 2.182 1.00 21.22 H new ATOM 0 HA LEU A 29 4.464 -6.519 4.173 1.00 42.44 H new ATOM 0 HB2 LEU A 29 2.445 -5.124 4.976 1.00 14.32 H new ATOM 0 HB3 LEU A 29 1.493 -6.021 3.811 1.00 14.32 H new ATOM 0 HG LEU A 29 1.213 -6.833 6.099 1.00 63.12 H new ATOM 0 HD11 LEU A 29 1.525 -9.220 5.715 1.00 12.31 H new ATOM 0 HD12 LEU A 29 0.819 -8.384 4.312 1.00 12.31 H new ATOM 0 HD13 LEU A 29 2.536 -8.850 4.298 1.00 12.31 H new ATOM 0 HD21 LEU A 29 3.044 -8.082 7.214 1.00 12.03 H new ATOM 0 HD22 LEU A 29 4.147 -7.603 5.902 1.00 12.03 H new ATOM 0 HD23 LEU A 29 3.449 -6.366 6.973 1.00 12.03 H new ATOM 498 N ASN A 30 4.385 -8.198 2.348 1.00 61.42 N ATOM 499 CA ASN A 30 4.324 -9.283 1.369 1.00 11.53 C ATOM 500 C ASN A 30 3.741 -10.528 1.992 1.00 31.41 C ATOM 501 O ASN A 30 4.388 -11.173 2.812 1.00 41.01 O ATOM 502 CB ASN A 30 5.718 -9.669 0.789 1.00 10.32 C ATOM 503 CG ASN A 30 6.408 -8.638 -0.112 1.00 54.42 C ATOM 504 OD1 ASN A 30 6.268 -7.378 0.176 1.00 12.00 O flip ATOM 505 ND2 ASN A 30 7.117 -9.009 -1.046 1.00 62.02 N flip ATOM 0 H ASN A 30 5.231 -8.196 2.918 1.00 61.42 H new ATOM 0 HA ASN A 30 3.698 -8.906 0.560 1.00 11.53 H new ATOM 0 HB2 ASN A 30 6.383 -9.888 1.624 1.00 10.32 H new ATOM 0 HB3 ASN A 30 5.605 -10.593 0.221 1.00 10.32 H new ATOM 0 HD21 ASN A 30 7.210 -10.004 -1.252 1.00 62.02 H new ATOM 0 HD22 ASN A 30 7.612 -8.322 -1.615 1.00 62.02 H new ATOM 512 N THR A 31 2.526 -10.856 1.649 1.00 2.14 N ATOM 513 CA THR A 31 1.962 -12.100 2.083 1.00 31.11 C ATOM 514 C THR A 31 2.237 -13.168 1.031 1.00 63.54 C ATOM 515 O THR A 31 1.958 -12.950 -0.151 1.00 53.10 O ATOM 516 CB THR A 31 0.457 -11.988 2.262 1.00 50.31 C ATOM 517 OG1 THR A 31 -0.102 -11.401 1.084 1.00 1.11 O ATOM 518 CG2 THR A 31 0.086 -11.172 3.481 1.00 45.53 C ATOM 0 H THR A 31 1.911 -10.281 1.073 1.00 2.14 H new ATOM 0 HA THR A 31 2.416 -12.363 3.038 1.00 31.11 H new ATOM 0 HB THR A 31 0.053 -12.988 2.417 1.00 50.31 H new ATOM 0 HG1 THR A 31 0.618 -11.047 0.521 1.00 1.11 H new ATOM 0 HG21 THR A 31 -0.999 -11.120 3.567 1.00 45.53 H new ATOM 0 HG22 THR A 31 0.499 -11.643 4.373 1.00 45.53 H new ATOM 0 HG23 THR A 31 0.491 -10.165 3.382 1.00 45.53 H new ATOM 526 N PRO A 32 2.780 -14.317 1.421 1.00 32.31 N ATOM 527 CA PRO A 32 3.026 -15.410 0.482 1.00 34.43 C ATOM 528 C PRO A 32 1.706 -16.057 0.036 1.00 63.45 C ATOM 529 O PRO A 32 1.612 -16.643 -1.043 1.00 61.24 O ATOM 530 CB PRO A 32 3.880 -16.394 1.290 1.00 22.14 C ATOM 531 CG PRO A 32 3.557 -16.103 2.716 1.00 72.45 C ATOM 532 CD PRO A 32 3.229 -14.640 2.790 1.00 34.22 C ATOM 0 HA PRO A 32 3.516 -15.081 -0.434 1.00 34.43 H new ATOM 0 HB2 PRO A 32 3.642 -17.426 1.034 1.00 22.14 H new ATOM 0 HB3 PRO A 32 4.942 -16.253 1.089 1.00 22.14 H new ATOM 0 HG2 PRO A 32 2.715 -16.707 3.054 1.00 72.45 H new ATOM 0 HG3 PRO A 32 4.401 -16.344 3.362 1.00 72.45 H new ATOM 0 HD2 PRO A 32 2.450 -14.440 3.525 1.00 34.22 H new ATOM 0 HD3 PRO A 32 4.098 -14.048 3.077 1.00 34.22 H new ATOM 540 N ASN A 33 0.682 -15.909 0.871 1.00 52.52 N ATOM 541 CA ASN A 33 -0.642 -16.462 0.590 1.00 32.22 C ATOM 542 C ASN A 33 -1.378 -15.577 -0.408 1.00 73.53 C ATOM 543 O ASN A 33 -2.133 -16.069 -1.249 1.00 64.43 O ATOM 544 CB ASN A 33 -1.490 -16.588 1.877 1.00 64.14 C ATOM 545 CG ASN A 33 -1.849 -15.236 2.473 1.00 11.41 C ATOM 546 OD1 ASN A 33 -1.021 -14.727 3.331 1.00 23.12 O flip ATOM 547 ND2 ASN A 33 -2.880 -14.655 2.151 1.00 3.42 N flip ATOM 0 H ASN A 33 0.744 -15.406 1.756 1.00 52.52 H new ATOM 0 HA ASN A 33 -0.499 -17.458 0.171 1.00 32.22 H new ATOM 0 HB2 ASN A 33 -2.405 -17.137 1.653 1.00 64.14 H new ATOM 0 HB3 ASN A 33 -0.940 -17.172 2.615 1.00 64.14 H new ATOM 0 HD21 ASN A 33 -3.514 -15.079 1.473 1.00 3.42 H new ATOM 0 HD22 ASN A 33 -3.104 -13.748 2.561 1.00 3.42 H new ATOM 554 N CYS A 34 -1.140 -14.273 -0.338 1.00 21.30 N ATOM 555 CA CYS A 34 -1.824 -13.373 -1.232 1.00 50.25 C ATOM 556 C CYS A 34 -0.871 -12.758 -2.239 1.00 60.24 C ATOM 557 O CYS A 34 -0.632 -13.337 -3.300 1.00 70.30 O ATOM 558 CB CYS A 34 -2.555 -12.251 -0.469 1.00 72.30 C ATOM 559 SG CYS A 34 -3.563 -11.156 -1.535 1.00 52.12 S ATOM 0 H CYS A 34 -0.493 -13.831 0.315 1.00 21.30 H new ATOM 0 HA CYS A 34 -2.564 -13.972 -1.763 1.00 50.25 H new ATOM 0 HB2 CYS A 34 -3.201 -12.700 0.286 1.00 72.30 H new ATOM 0 HB3 CYS A 34 -1.818 -11.647 0.061 1.00 72.30 H new ATOM 564 N ALA A 35 -0.286 -11.631 -1.883 1.00 55.22 N ATOM 565 CA ALA A 35 0.546 -10.856 -2.767 1.00 75.54 C ATOM 566 C ALA A 35 1.172 -9.753 -1.979 1.00 23.41 C ATOM 567 O ALA A 35 1.401 -9.894 -0.754 1.00 35.23 O ATOM 568 CB ALA A 35 -0.310 -10.299 -3.913 1.00 3.32 C ATOM 0 H ALA A 35 -0.381 -11.225 -0.952 1.00 55.22 H new ATOM 0 HA ALA A 35 1.332 -11.474 -3.201 1.00 75.54 H new ATOM 0 HB1 ALA A 35 0.317 -9.712 -4.584 1.00 3.32 H new ATOM 0 HB2 ALA A 35 -0.759 -11.124 -4.466 1.00 3.32 H new ATOM 0 HB3 ALA A 35 -1.097 -9.665 -3.504 1.00 3.32 H new ATOM 574 N LEU A 36 1.448 -8.692 -2.645 1.00 33.02 N ATOM 575 CA LEU A 36 2.151 -7.612 -2.101 1.00 74.44 C ATOM 576 C LEU A 36 1.152 -6.486 -1.732 1.00 53.33 C ATOM 577 O LEU A 36 0.531 -5.889 -2.617 1.00 63.13 O ATOM 578 CB LEU A 36 3.129 -7.173 -3.193 1.00 20.24 C ATOM 579 CG LEU A 36 4.451 -6.626 -2.738 1.00 4.45 C ATOM 580 CD1 LEU A 36 5.360 -6.371 -3.938 1.00 52.24 C ATOM 581 CD2 LEU A 36 4.286 -5.376 -1.923 1.00 62.22 C ATOM 0 H LEU A 36 1.176 -8.557 -3.619 1.00 33.02 H new ATOM 0 HA LEU A 36 2.688 -7.867 -1.187 1.00 74.44 H new ATOM 0 HB2 LEU A 36 3.320 -8.028 -3.841 1.00 20.24 H new ATOM 0 HB3 LEU A 36 2.639 -6.414 -3.803 1.00 20.24 H new ATOM 0 HG LEU A 36 4.916 -7.374 -2.095 1.00 4.45 H new ATOM 0 HD11 LEU A 36 6.315 -5.975 -3.593 1.00 52.24 H new ATOM 0 HD12 LEU A 36 5.527 -7.306 -4.473 1.00 52.24 H new ATOM 0 HD13 LEU A 36 4.888 -5.650 -4.606 1.00 52.24 H new ATOM 0 HD21 LEU A 36 5.265 -5.012 -1.613 1.00 62.22 H new ATOM 0 HD22 LEU A 36 3.789 -4.614 -2.523 1.00 62.22 H new ATOM 0 HD23 LEU A 36 3.684 -5.594 -1.041 1.00 62.22 H new ATOM 593 N GLN A 37 0.993 -6.226 -0.429 1.00 70.20 N ATOM 594 CA GLN A 37 0.068 -5.202 0.054 1.00 35.02 C ATOM 595 C GLN A 37 0.845 -4.007 0.567 1.00 54.44 C ATOM 596 O GLN A 37 1.792 -4.161 1.334 1.00 70.12 O ATOM 597 CB GLN A 37 -0.848 -5.700 1.206 1.00 10.44 C ATOM 598 CG GLN A 37 -1.916 -6.759 0.881 1.00 73.33 C ATOM 599 CD GLN A 37 -1.388 -8.110 0.514 1.00 72.44 C ATOM 600 OE1 GLN A 37 -1.175 -8.415 -0.638 1.00 25.24 O ATOM 601 NE2 GLN A 37 -1.172 -8.925 1.504 1.00 61.02 N ATOM 0 H GLN A 37 1.497 -6.715 0.311 1.00 70.20 H new ATOM 0 HA GLN A 37 -0.562 -4.939 -0.796 1.00 35.02 H new ATOM 0 HB2 GLN A 37 -0.207 -6.103 1.990 1.00 10.44 H new ATOM 0 HB3 GLN A 37 -1.357 -4.832 1.625 1.00 10.44 H new ATOM 0 HG2 GLN A 37 -2.572 -6.866 1.745 1.00 73.33 H new ATOM 0 HG3 GLN A 37 -2.530 -6.391 0.058 1.00 73.33 H new ATOM 0 HE21 GLN A 37 -1.365 -8.628 2.461 1.00 61.02 H new ATOM 0 HE22 GLN A 37 -0.809 -9.861 1.324 1.00 61.02 H new ATOM 610 N ILE A 38 0.477 -2.831 0.126 1.00 44.53 N ATOM 611 CA ILE A 38 1.113 -1.616 0.595 1.00 12.11 C ATOM 612 C ILE A 38 0.034 -0.712 1.177 1.00 11.15 C ATOM 613 O ILE A 38 -1.098 -0.762 0.720 1.00 50.32 O ATOM 614 CB ILE A 38 1.805 -0.890 -0.559 1.00 44.32 C ATOM 615 CG1 ILE A 38 2.637 -1.880 -1.360 1.00 51.41 C ATOM 616 CG2 ILE A 38 2.707 0.225 -0.016 1.00 51.05 C ATOM 617 CD1 ILE A 38 3.335 -1.259 -2.515 1.00 53.21 C ATOM 0 H ILE A 38 -0.263 -2.684 -0.561 1.00 44.53 H new ATOM 0 HA ILE A 38 1.863 -1.864 1.346 1.00 12.11 H new ATOM 0 HB ILE A 38 1.047 -0.447 -1.206 1.00 44.32 H new ATOM 0 HG12 ILE A 38 3.375 -2.340 -0.703 1.00 51.41 H new ATOM 0 HG13 ILE A 38 1.990 -2.679 -1.722 1.00 51.41 H new ATOM 0 HG21 ILE A 38 3.195 0.735 -0.847 1.00 51.05 H new ATOM 0 HG22 ILE A 38 2.105 0.939 0.545 1.00 51.05 H new ATOM 0 HG23 ILE A 38 3.464 -0.206 0.640 1.00 51.05 H new ATOM 0 HD11 ILE A 38 3.910 -2.019 -3.044 1.00 53.21 H new ATOM 0 HD12 ILE A 38 2.601 -0.823 -3.192 1.00 53.21 H new ATOM 0 HD13 ILE A 38 4.007 -0.479 -2.157 1.00 53.21 H new ATOM 629 N VAL A 39 0.358 0.100 2.164 1.00 33.35 N ATOM 630 CA VAL A 39 -0.647 0.976 2.773 1.00 24.30 C ATOM 631 C VAL A 39 -0.188 2.429 2.841 1.00 22.51 C ATOM 632 O VAL A 39 0.907 2.705 3.278 1.00 43.24 O ATOM 633 CB VAL A 39 -1.091 0.485 4.184 1.00 50.11 C ATOM 634 CG1 VAL A 39 -1.833 -0.842 4.085 1.00 23.12 C ATOM 635 CG2 VAL A 39 0.104 0.348 5.128 1.00 52.51 C ATOM 0 H VAL A 39 1.293 0.178 2.563 1.00 33.35 H new ATOM 0 HA VAL A 39 -1.513 0.927 2.113 1.00 24.30 H new ATOM 0 HB VAL A 39 -1.765 1.236 4.595 1.00 50.11 H new ATOM 0 HG11 VAL A 39 -2.134 -1.166 5.081 1.00 23.12 H new ATOM 0 HG12 VAL A 39 -2.718 -0.718 3.461 1.00 23.12 H new ATOM 0 HG13 VAL A 39 -1.179 -1.593 3.641 1.00 23.12 H new ATOM 0 HG21 VAL A 39 -0.240 0.004 6.103 1.00 52.51 H new ATOM 0 HG22 VAL A 39 0.811 -0.373 4.718 1.00 52.51 H new ATOM 0 HG23 VAL A 39 0.594 1.315 5.237 1.00 52.51 H new ATOM 645 N ALA A 40 -1.037 3.343 2.402 1.00 44.11 N ATOM 646 CA ALA A 40 -0.745 4.775 2.433 1.00 74.11 C ATOM 647 C ALA A 40 -1.769 5.492 3.252 1.00 63.53 C ATOM 648 O ALA A 40 -2.956 5.432 2.950 1.00 45.30 O ATOM 649 CB ALA A 40 -0.796 5.383 1.030 1.00 61.11 C ATOM 0 H ALA A 40 -1.952 3.117 2.012 1.00 44.11 H new ATOM 0 HA ALA A 40 0.253 4.886 2.857 1.00 74.11 H new ATOM 0 HB1 ALA A 40 -0.575 6.449 1.087 1.00 61.11 H new ATOM 0 HB2 ALA A 40 -0.059 4.893 0.394 1.00 61.11 H new ATOM 0 HB3 ALA A 40 -1.791 5.241 0.608 1.00 61.11 H new ATOM 655 N ARG A 41 -1.343 6.147 4.283 1.00 21.31 N ATOM 656 CA ARG A 41 -2.239 7.004 5.000 1.00 72.45 C ATOM 657 C ARG A 41 -1.997 8.414 4.580 1.00 52.43 C ATOM 658 O ARG A 41 -0.863 8.887 4.596 1.00 14.41 O ATOM 659 CB ARG A 41 -2.161 6.831 6.506 1.00 63.31 C ATOM 660 CG ARG A 41 -3.027 7.804 7.264 1.00 64.41 C ATOM 661 CD ARG A 41 -3.160 7.413 8.710 1.00 61.23 C ATOM 662 NE ARG A 41 -3.869 8.446 9.484 1.00 40.21 N ATOM 663 CZ ARG A 41 -4.855 8.214 10.372 1.00 73.20 C ATOM 664 NH1 ARG A 41 -5.298 6.969 10.578 1.00 1.10 N ATOM 665 NH2 ARG A 41 -5.390 9.230 11.052 1.00 24.03 N ATOM 0 H ARG A 41 -0.391 6.108 4.647 1.00 21.31 H new ATOM 0 HA ARG A 41 -3.260 6.720 4.745 1.00 72.45 H new ATOM 0 HB2 ARG A 41 -2.458 5.814 6.764 1.00 63.31 H new ATOM 0 HB3 ARG A 41 -1.126 6.952 6.825 1.00 63.31 H new ATOM 0 HG2 ARG A 41 -2.599 8.804 7.194 1.00 64.41 H new ATOM 0 HG3 ARG A 41 -4.015 7.847 6.805 1.00 64.41 H new ATOM 0 HD2 ARG A 41 -3.697 6.468 8.785 1.00 61.23 H new ATOM 0 HD3 ARG A 41 -2.170 7.252 9.137 1.00 61.23 H new ATOM 0 HE ARG A 41 -3.591 9.416 9.336 1.00 40.21 H new ATOM 0 HH11 ARG A 41 -4.889 6.190 10.062 1.00 1.10 H new ATOM 0 HH12 ARG A 41 -6.045 6.798 11.251 1.00 1.10 H new ATOM 0 HH21 ARG A 41 -5.052 10.180 10.899 1.00 24.03 H new ATOM 0 HH22 ARG A 41 -6.137 9.056 11.725 1.00 24.03 H new ATOM 679 N LEU A 42 -3.045 9.066 4.184 1.00 52.21 N ATOM 680 CA LEU A 42 -2.951 10.408 3.645 1.00 31.40 C ATOM 681 C LEU A 42 -2.749 11.411 4.755 1.00 62.43 C ATOM 682 O LEU A 42 -3.401 11.328 5.791 1.00 2.12 O ATOM 683 CB LEU A 42 -4.207 10.785 2.838 1.00 73.30 C ATOM 684 CG LEU A 42 -4.647 9.818 1.713 1.00 51.20 C ATOM 685 CD1 LEU A 42 -5.620 10.468 0.741 1.00 44.03 C ATOM 686 CD2 LEU A 42 -3.484 9.148 0.992 1.00 15.02 C ATOM 0 H LEU A 42 -3.994 8.693 4.221 1.00 52.21 H new ATOM 0 HA LEU A 42 -2.092 10.427 2.974 1.00 31.40 H new ATOM 0 HB2 LEU A 42 -5.037 10.889 3.536 1.00 73.30 H new ATOM 0 HB3 LEU A 42 -4.040 11.766 2.393 1.00 73.30 H new ATOM 0 HG LEU A 42 -5.182 9.014 2.218 1.00 51.20 H new ATOM 0 HD11 LEU A 42 -5.899 9.749 -0.030 1.00 44.03 H new ATOM 0 HD12 LEU A 42 -6.512 10.788 1.279 1.00 44.03 H new ATOM 0 HD13 LEU A 42 -5.147 11.333 0.276 1.00 44.03 H new ATOM 0 HD21 LEU A 42 -3.869 8.485 0.217 1.00 15.02 H new ATOM 0 HD22 LEU A 42 -2.851 9.910 0.536 1.00 15.02 H new ATOM 0 HD23 LEU A 42 -2.898 8.569 1.706 1.00 15.02 H new ATOM 698 N LYS A 43 -1.858 12.350 4.530 1.00 22.12 N ATOM 699 CA LYS A 43 -1.564 13.402 5.494 1.00 52.15 C ATOM 700 C LYS A 43 -2.755 14.337 5.648 1.00 74.44 C ATOM 701 O LYS A 43 -3.027 14.840 6.732 1.00 72.01 O ATOM 702 CB LYS A 43 -0.342 14.206 5.044 1.00 65.42 C ATOM 703 CG LYS A 43 0.902 13.407 4.909 1.00 3.41 C ATOM 704 CD LYS A 43 2.017 14.268 4.389 1.00 74.22 C ATOM 705 CE LYS A 43 3.299 13.539 4.489 1.00 10.33 C ATOM 706 NZ LYS A 43 4.443 14.329 3.988 1.00 72.14 N ATOM 0 H LYS A 43 -1.311 12.411 3.671 1.00 22.12 H new ATOM 0 HA LYS A 43 -1.355 12.932 6.455 1.00 52.15 H new ATOM 0 HB2 LYS A 43 -0.564 14.675 4.085 1.00 65.42 H new ATOM 0 HB3 LYS A 43 -0.167 15.010 5.759 1.00 65.42 H new ATOM 0 HG2 LYS A 43 1.179 12.985 5.875 1.00 3.41 H new ATOM 0 HG3 LYS A 43 0.733 12.569 4.232 1.00 3.41 H new ATOM 0 HD2 LYS A 43 1.824 14.542 3.352 1.00 74.22 H new ATOM 0 HD3 LYS A 43 2.070 15.195 4.960 1.00 74.22 H new ATOM 0 HE2 LYS A 43 3.478 13.267 5.529 1.00 10.33 H new ATOM 0 HE3 LYS A 43 3.229 12.609 3.924 1.00 10.33 H new ATOM 0 HZ1 LYS A 43 5.317 13.772 4.081 1.00 72.14 H new ATOM 0 HZ2 LYS A 43 4.289 14.567 2.987 1.00 72.14 H new ATOM 0 HZ3 LYS A 43 4.530 15.204 4.543 1.00 72.14 H new ATOM 720 N ASN A 44 -3.462 14.559 4.560 1.00 53.24 N ATOM 721 CA ASN A 44 -4.600 15.460 4.588 1.00 54.34 C ATOM 722 C ASN A 44 -5.917 14.731 4.776 1.00 74.14 C ATOM 723 O ASN A 44 -6.769 15.182 5.535 1.00 33.32 O ATOM 724 CB ASN A 44 -4.648 16.358 3.340 1.00 53.51 C ATOM 725 CG ASN A 44 -3.476 17.312 3.253 1.00 42.31 C ATOM 726 OD1 ASN A 44 -2.937 17.751 4.269 1.00 62.44 O ATOM 727 ND2 ASN A 44 -3.064 17.633 2.051 1.00 74.01 N ATOM 0 H ASN A 44 -3.273 14.134 3.652 1.00 53.24 H new ATOM 0 HA ASN A 44 -4.457 16.098 5.460 1.00 54.34 H new ATOM 0 HB2 ASN A 44 -4.666 15.731 2.448 1.00 53.51 H new ATOM 0 HB3 ASN A 44 -5.576 16.930 3.346 1.00 53.51 H new ATOM 0 HD21 ASN A 44 -2.272 18.266 1.935 1.00 74.01 H new ATOM 0 HD22 ASN A 44 -3.535 17.250 1.231 1.00 74.01 H new ATOM 734 N ASN A 45 -6.099 13.605 4.087 1.00 53.34 N ATOM 735 CA ASN A 45 -7.370 12.863 4.199 1.00 64.01 C ATOM 736 C ASN A 45 -7.424 12.117 5.517 1.00 32.53 C ATOM 737 O ASN A 45 -8.478 11.957 6.100 1.00 12.42 O ATOM 738 CB ASN A 45 -7.550 11.866 3.040 1.00 41.25 C ATOM 739 CG ASN A 45 -8.978 11.306 2.888 1.00 32.32 C ATOM 740 OD1 ASN A 45 -9.749 11.246 3.824 1.00 73.51 O ATOM 741 ND2 ASN A 45 -9.304 10.849 1.703 1.00 63.31 N ATOM 0 H ASN A 45 -5.409 13.190 3.461 1.00 53.34 H new ATOM 0 HA ASN A 45 -8.180 13.591 4.152 1.00 64.01 H new ATOM 0 HB2 ASN A 45 -7.266 12.357 2.109 1.00 41.25 H new ATOM 0 HB3 ASN A 45 -6.861 11.034 3.185 1.00 41.25 H new ATOM 0 HD21 ASN A 45 -10.223 10.432 1.552 1.00 63.31 H new ATOM 0 HD22 ASN A 45 -8.639 10.911 0.932 1.00 63.31 H new ATOM 748 N ASN A 46 -6.251 11.690 6.001 1.00 72.40 N ATOM 749 CA ASN A 46 -6.126 10.872 7.214 1.00 60.03 C ATOM 750 C ASN A 46 -6.702 9.493 6.985 1.00 72.42 C ATOM 751 O ASN A 46 -6.963 8.741 7.920 1.00 10.35 O ATOM 752 CB ASN A 46 -6.743 11.541 8.463 1.00 23.24 C ATOM 753 CG ASN A 46 -6.047 12.831 8.868 1.00 23.11 C ATOM 754 OD1 ASN A 46 -5.084 12.814 9.639 1.00 40.21 O ATOM 755 ND2 ASN A 46 -6.526 13.945 8.378 1.00 23.34 N ATOM 0 H ASN A 46 -5.357 11.904 5.559 1.00 72.40 H new ATOM 0 HA ASN A 46 -5.060 10.776 7.423 1.00 60.03 H new ATOM 0 HB2 ASN A 46 -7.795 11.750 8.270 1.00 23.24 H new ATOM 0 HB3 ASN A 46 -6.705 10.840 9.297 1.00 23.24 H new ATOM 0 HD21 ASN A 46 -6.102 14.837 8.631 1.00 23.34 H new ATOM 0 HD22 ASN A 46 -7.324 13.921 7.743 1.00 23.34 H new ATOM 762 N ARG A 47 -6.863 9.143 5.729 1.00 40.20 N ATOM 763 CA ARG A 47 -7.336 7.835 5.384 1.00 71.14 C ATOM 764 C ARG A 47 -6.228 7.007 4.858 1.00 11.13 C ATOM 765 O ARG A 47 -5.286 7.517 4.259 1.00 72.13 O ATOM 766 CB ARG A 47 -8.501 7.844 4.406 1.00 51.22 C ATOM 767 CG ARG A 47 -9.813 8.330 4.987 1.00 52.33 C ATOM 768 CD ARG A 47 -10.919 8.218 3.958 1.00 55.03 C ATOM 769 NE ARG A 47 -12.230 8.607 4.486 1.00 44.35 N ATOM 770 CZ ARG A 47 -13.389 8.451 3.822 1.00 72.25 C ATOM 771 NH1 ARG A 47 -13.388 7.937 2.589 1.00 61.51 N ATOM 772 NH2 ARG A 47 -14.538 8.808 4.392 1.00 63.41 N ATOM 0 H ARG A 47 -6.671 9.752 4.933 1.00 40.20 H new ATOM 0 HA ARG A 47 -7.717 7.398 6.307 1.00 71.14 H new ATOM 0 HB2 ARG A 47 -8.240 8.475 3.557 1.00 51.22 H new ATOM 0 HB3 ARG A 47 -8.642 6.834 4.021 1.00 51.22 H new ATOM 0 HG2 ARG A 47 -10.067 7.743 5.869 1.00 52.33 H new ATOM 0 HG3 ARG A 47 -9.713 9.366 5.312 1.00 52.33 H new ATOM 0 HD2 ARG A 47 -10.677 8.847 3.101 1.00 55.03 H new ATOM 0 HD3 ARG A 47 -10.969 7.191 3.596 1.00 55.03 H new ATOM 0 HE ARG A 47 -12.265 9.023 5.417 1.00 44.35 H new ATOM 0 HH11 ARG A 47 -12.508 7.663 2.151 1.00 61.51 H new ATOM 0 HH12 ARG A 47 -14.267 7.819 2.085 1.00 61.51 H new ATOM 0 HH21 ARG A 47 -14.540 9.200 5.333 1.00 63.41 H new ATOM 0 HH22 ARG A 47 -15.416 8.689 3.887 1.00 63.41 H new ATOM 786 N GLN A 48 -6.336 5.764 5.098 1.00 54.21 N ATOM 787 CA GLN A 48 -5.397 4.802 4.711 1.00 64.24 C ATOM 788 C GLN A 48 -5.945 3.955 3.594 1.00 44.13 C ATOM 789 O GLN A 48 -7.004 3.321 3.724 1.00 34.43 O ATOM 790 CB GLN A 48 -5.030 3.985 5.926 1.00 74.45 C ATOM 791 CG GLN A 48 -4.486 2.618 5.636 1.00 44.40 C ATOM 792 CD GLN A 48 -4.067 1.878 6.885 1.00 53.13 C ATOM 793 OE1 GLN A 48 -3.135 0.986 6.762 1.00 23.04 O flip ATOM 794 NE2 GLN A 48 -4.616 2.095 7.962 1.00 44.54 N flip ATOM 0 H GLN A 48 -7.131 5.369 5.600 1.00 54.21 H new ATOM 0 HA GLN A 48 -4.495 5.276 4.324 1.00 64.24 H new ATOM 0 HB2 GLN A 48 -4.290 4.537 6.506 1.00 74.45 H new ATOM 0 HB3 GLN A 48 -5.914 3.881 6.555 1.00 74.45 H new ATOM 0 HG2 GLN A 48 -5.242 2.035 5.110 1.00 44.40 H new ATOM 0 HG3 GLN A 48 -3.630 2.707 4.967 1.00 44.40 H new ATOM 0 HE21 GLN A 48 -5.347 2.804 8.028 1.00 44.54 H new ATOM 0 HE22 GLN A 48 -4.341 1.567 8.790 1.00 44.54 H new ATOM 803 N VAL A 49 -5.243 3.964 2.508 1.00 32.23 N ATOM 804 CA VAL A 49 -5.603 3.215 1.344 1.00 22.52 C ATOM 805 C VAL A 49 -4.452 2.326 0.934 1.00 62.14 C ATOM 806 O VAL A 49 -3.293 2.659 1.153 1.00 31.32 O ATOM 807 CB VAL A 49 -6.003 4.143 0.157 1.00 42.15 C ATOM 808 CG1 VAL A 49 -7.219 4.977 0.522 1.00 24.31 C ATOM 809 CG2 VAL A 49 -4.846 5.052 -0.249 1.00 71.03 C ATOM 0 H VAL A 49 -4.384 4.504 2.401 1.00 32.23 H new ATOM 0 HA VAL A 49 -6.471 2.606 1.595 1.00 22.52 H new ATOM 0 HB VAL A 49 -6.251 3.508 -0.694 1.00 42.15 H new ATOM 0 HG11 VAL A 49 -7.485 5.619 -0.318 1.00 24.31 H new ATOM 0 HG12 VAL A 49 -8.056 4.318 0.754 1.00 24.31 H new ATOM 0 HG13 VAL A 49 -6.990 5.593 1.392 1.00 24.31 H new ATOM 0 HG21 VAL A 49 -5.156 5.687 -1.079 1.00 71.03 H new ATOM 0 HG22 VAL A 49 -4.559 5.676 0.598 1.00 71.03 H new ATOM 0 HG23 VAL A 49 -3.995 4.443 -0.556 1.00 71.03 H new ATOM 819 N CYS A 50 -4.772 1.205 0.410 1.00 24.52 N ATOM 820 CA CYS A 50 -3.792 0.275 -0.097 1.00 43.51 C ATOM 821 C CYS A 50 -3.167 0.810 -1.363 1.00 72.05 C ATOM 822 O CYS A 50 -3.869 1.248 -2.250 1.00 40.34 O ATOM 823 CB CYS A 50 -4.472 -1.046 -0.360 1.00 5.02 C ATOM 824 SG CYS A 50 -5.177 -1.771 1.153 1.00 65.21 S ATOM 0 H CYS A 50 -5.736 0.885 0.311 1.00 24.52 H new ATOM 0 HA CYS A 50 -2.998 0.138 0.637 1.00 43.51 H new ATOM 0 HB2 CYS A 50 -5.264 -0.905 -1.096 1.00 5.02 H new ATOM 0 HB3 CYS A 50 -3.754 -1.742 -0.794 1.00 5.02 H new ATOM 829 N ILE A 51 -1.858 0.781 -1.448 1.00 63.51 N ATOM 830 CA ILE A 51 -1.185 1.311 -2.615 1.00 3.32 C ATOM 831 C ILE A 51 -0.846 0.177 -3.549 1.00 44.55 C ATOM 832 O ILE A 51 -0.448 -0.901 -3.101 1.00 73.32 O ATOM 833 CB ILE A 51 0.142 2.003 -2.285 1.00 2.02 C ATOM 834 CG1 ILE A 51 0.051 2.821 -1.023 1.00 72.14 C ATOM 835 CG2 ILE A 51 0.513 2.914 -3.445 1.00 12.20 C ATOM 836 CD1 ILE A 51 1.373 3.460 -0.652 1.00 14.02 C ATOM 0 H ILE A 51 -1.240 0.400 -0.731 1.00 63.51 H new ATOM 0 HA ILE A 51 -1.868 2.039 -3.054 1.00 3.32 H new ATOM 0 HB ILE A 51 0.900 1.236 -2.129 1.00 2.02 H new ATOM 0 HG12 ILE A 51 -0.702 3.599 -1.151 1.00 72.14 H new ATOM 0 HG13 ILE A 51 -0.284 2.184 -0.204 1.00 72.14 H new ATOM 0 HG21 ILE A 51 1.456 3.415 -3.227 1.00 12.20 H new ATOM 0 HG22 ILE A 51 0.619 2.321 -4.354 1.00 12.20 H new ATOM 0 HG23 ILE A 51 -0.270 3.659 -3.587 1.00 12.20 H new ATOM 0 HD11 ILE A 51 1.253 4.038 0.264 1.00 14.02 H new ATOM 0 HD12 ILE A 51 2.121 2.683 -0.496 1.00 14.02 H new ATOM 0 HD13 ILE A 51 1.697 4.119 -1.457 1.00 14.02 H new ATOM 848 N ASP A 52 -0.996 0.422 -4.819 1.00 5.10 N ATOM 849 CA ASP A 52 -0.671 -0.552 -5.853 1.00 44.13 C ATOM 850 C ASP A 52 0.860 -0.705 -5.937 1.00 2.14 C ATOM 851 O ASP A 52 1.581 0.278 -6.139 1.00 65.52 O ATOM 852 CB ASP A 52 -1.240 -0.069 -7.186 1.00 32.43 C ATOM 853 CG ASP A 52 -1.030 -1.023 -8.336 1.00 53.42 C ATOM 854 OD1 ASP A 52 0.016 -0.950 -8.993 1.00 64.12 O ATOM 855 OD2 ASP A 52 -1.948 -1.838 -8.622 1.00 60.31 O ATOM 0 H ASP A 52 -1.350 1.307 -5.182 1.00 5.10 H new ATOM 0 HA ASP A 52 -1.107 -1.522 -5.615 1.00 44.13 H new ATOM 0 HB2 ASP A 52 -2.309 0.109 -7.068 1.00 32.43 H new ATOM 0 HB3 ASP A 52 -0.784 0.889 -7.436 1.00 32.43 H new ATOM 860 N PRO A 53 1.370 -1.939 -5.789 1.00 50.53 N ATOM 861 CA PRO A 53 2.820 -2.216 -5.728 1.00 14.53 C ATOM 862 C PRO A 53 3.564 -2.043 -7.047 1.00 41.02 C ATOM 863 O PRO A 53 4.782 -2.243 -7.108 1.00 33.22 O ATOM 864 CB PRO A 53 2.882 -3.670 -5.270 1.00 64.11 C ATOM 865 CG PRO A 53 1.607 -4.263 -5.746 1.00 73.25 C ATOM 866 CD PRO A 53 0.576 -3.176 -5.653 1.00 63.13 C ATOM 0 HA PRO A 53 3.314 -1.505 -5.066 1.00 14.53 H new ATOM 0 HB2 PRO A 53 3.743 -4.184 -5.697 1.00 64.11 H new ATOM 0 HB3 PRO A 53 2.973 -3.741 -4.186 1.00 64.11 H new ATOM 0 HG2 PRO A 53 1.703 -4.621 -6.771 1.00 73.25 H new ATOM 0 HG3 PRO A 53 1.325 -5.120 -5.135 1.00 73.25 H new ATOM 0 HD2 PRO A 53 -0.171 -3.263 -6.442 1.00 63.13 H new ATOM 0 HD3 PRO A 53 0.042 -3.209 -4.703 1.00 63.13 H new ATOM 874 N LYS A 54 2.859 -1.681 -8.087 1.00 33.22 N ATOM 875 CA LYS A 54 3.480 -1.494 -9.365 1.00 4.30 C ATOM 876 C LYS A 54 4.015 -0.079 -9.525 1.00 31.32 C ATOM 877 O LYS A 54 4.636 0.252 -10.544 1.00 24.04 O ATOM 878 CB LYS A 54 2.551 -1.892 -10.498 1.00 11.13 C ATOM 879 CG LYS A 54 2.171 -3.366 -10.455 1.00 71.22 C ATOM 880 CD LYS A 54 1.265 -3.773 -11.606 1.00 44.24 C ATOM 881 CE LYS A 54 -0.059 -3.041 -11.570 1.00 33.14 C ATOM 882 NZ LYS A 54 -0.985 -3.512 -12.627 1.00 71.43 N ATOM 0 H LYS A 54 1.853 -1.511 -8.070 1.00 33.22 H new ATOM 0 HA LYS A 54 4.341 -2.161 -9.415 1.00 4.30 H new ATOM 0 HB2 LYS A 54 1.646 -1.286 -10.451 1.00 11.13 H new ATOM 0 HB3 LYS A 54 3.032 -1.672 -11.451 1.00 11.13 H new ATOM 0 HG2 LYS A 54 3.077 -3.971 -10.480 1.00 71.22 H new ATOM 0 HG3 LYS A 54 1.670 -3.580 -9.511 1.00 71.22 H new ATOM 0 HD2 LYS A 54 1.767 -3.569 -12.552 1.00 44.24 H new ATOM 0 HD3 LYS A 54 1.087 -4.848 -11.565 1.00 44.24 H new ATOM 0 HE2 LYS A 54 -0.523 -3.180 -10.594 1.00 33.14 H new ATOM 0 HE3 LYS A 54 0.115 -1.972 -11.691 1.00 33.14 H new ATOM 0 HZ1 LYS A 54 -1.879 -2.984 -12.566 1.00 71.43 H new ATOM 0 HZ2 LYS A 54 -0.554 -3.356 -13.561 1.00 71.43 H new ATOM 0 HZ3 LYS A 54 -1.173 -4.527 -12.497 1.00 71.43 H new ATOM 896 N LEU A 55 3.748 0.769 -8.540 1.00 22.13 N ATOM 897 CA LEU A 55 4.288 2.120 -8.539 1.00 44.33 C ATOM 898 C LEU A 55 5.801 2.100 -8.362 1.00 34.21 C ATOM 899 O LEU A 55 6.331 1.521 -7.402 1.00 62.12 O ATOM 900 CB LEU A 55 3.646 2.990 -7.468 1.00 22.54 C ATOM 901 CG LEU A 55 2.157 3.254 -7.614 1.00 73.15 C ATOM 902 CD1 LEU A 55 1.685 4.149 -6.493 1.00 75.32 C ATOM 903 CD2 LEU A 55 1.860 3.886 -8.960 1.00 71.12 C ATOM 0 H LEU A 55 3.163 0.545 -7.735 1.00 22.13 H new ATOM 0 HA LEU A 55 4.051 2.558 -9.509 1.00 44.33 H new ATOM 0 HB2 LEU A 55 3.816 2.520 -6.499 1.00 22.54 H new ATOM 0 HB3 LEU A 55 4.163 3.949 -7.452 1.00 22.54 H new ATOM 0 HG LEU A 55 1.622 2.306 -7.558 1.00 73.15 H new ATOM 0 HD11 LEU A 55 0.617 4.336 -6.602 1.00 75.32 H new ATOM 0 HD12 LEU A 55 1.873 3.663 -5.536 1.00 75.32 H new ATOM 0 HD13 LEU A 55 2.224 5.095 -6.531 1.00 75.32 H new ATOM 0 HD21 LEU A 55 0.789 4.068 -9.048 1.00 71.12 H new ATOM 0 HD22 LEU A 55 2.397 4.831 -9.045 1.00 71.12 H new ATOM 0 HD23 LEU A 55 2.180 3.214 -9.756 1.00 71.12 H new ATOM 915 N LYS A 56 6.486 2.757 -9.272 1.00 5.10 N ATOM 916 CA LYS A 56 7.924 2.765 -9.299 1.00 22.12 C ATOM 917 C LYS A 56 8.476 3.550 -8.109 1.00 13.03 C ATOM 918 O LYS A 56 9.501 3.172 -7.539 1.00 44.02 O ATOM 919 CB LYS A 56 8.420 3.312 -10.675 1.00 63.23 C ATOM 920 CG LYS A 56 9.934 3.157 -10.981 1.00 31.23 C ATOM 921 CD LYS A 56 10.852 4.105 -10.197 1.00 31.34 C ATOM 922 CE LYS A 56 10.660 5.557 -10.613 1.00 40.51 C ATOM 923 NZ LYS A 56 11.573 6.473 -9.896 1.00 2.32 N ATOM 0 H LYS A 56 6.054 3.303 -10.017 1.00 5.10 H new ATOM 0 HA LYS A 56 8.304 1.748 -9.200 1.00 22.12 H new ATOM 0 HB2 LYS A 56 7.860 2.809 -11.463 1.00 63.23 H new ATOM 0 HB3 LYS A 56 8.168 4.371 -10.731 1.00 63.23 H new ATOM 0 HG2 LYS A 56 10.230 2.130 -10.768 1.00 31.23 H new ATOM 0 HG3 LYS A 56 10.093 3.320 -12.047 1.00 31.23 H new ATOM 0 HD2 LYS A 56 10.652 4.004 -9.130 1.00 31.34 H new ATOM 0 HD3 LYS A 56 11.891 3.817 -10.355 1.00 31.34 H new ATOM 0 HE2 LYS A 56 10.825 5.650 -11.686 1.00 40.51 H new ATOM 0 HE3 LYS A 56 9.629 5.854 -10.423 1.00 40.51 H new ATOM 0 HZ1 LYS A 56 11.804 7.282 -10.508 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 11.111 6.815 -9.029 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.447 5.967 -9.646 1.00 2.32 H new ATOM 937 N TRP A 57 7.786 4.623 -7.699 1.00 25.34 N ATOM 938 CA TRP A 57 8.293 5.417 -6.582 1.00 31.21 C ATOM 939 C TRP A 57 8.272 4.601 -5.281 1.00 13.12 C ATOM 940 O TRP A 57 9.142 4.763 -4.425 1.00 0.13 O ATOM 941 CB TRP A 57 7.561 6.791 -6.409 1.00 61.12 C ATOM 942 CG TRP A 57 6.115 6.744 -5.949 1.00 13.32 C ATOM 943 CD1 TRP A 57 4.994 6.852 -6.716 1.00 43.31 C ATOM 944 CD2 TRP A 57 5.659 6.593 -4.599 1.00 44.54 C ATOM 945 NE1 TRP A 57 3.870 6.780 -5.920 1.00 44.31 N ATOM 946 CE2 TRP A 57 4.253 6.613 -4.620 1.00 0.13 C ATOM 947 CE3 TRP A 57 6.307 6.437 -3.378 1.00 51.22 C ATOM 948 CZ2 TRP A 57 3.489 6.483 -3.453 1.00 75.33 C ATOM 949 CZ3 TRP A 57 5.559 6.306 -2.244 1.00 70.40 C ATOM 950 CH2 TRP A 57 4.165 6.329 -2.288 1.00 51.31 C ATOM 0 H TRP A 57 6.910 4.949 -8.107 1.00 25.34 H new ATOM 0 HA TRP A 57 9.327 5.664 -6.823 1.00 31.21 H new ATOM 0 HB2 TRP A 57 8.126 7.389 -5.694 1.00 61.12 H new ATOM 0 HB3 TRP A 57 7.597 7.317 -7.363 1.00 61.12 H new ATOM 0 HD1 TRP A 57 4.987 6.976 -7.789 1.00 43.31 H new ATOM 0 HE1 TRP A 57 2.907 6.842 -6.250 1.00 44.31 H new ATOM 0 HE3 TRP A 57 7.386 6.420 -3.328 1.00 51.22 H new ATOM 0 HZ2 TRP A 57 2.410 6.505 -3.480 1.00 75.33 H new ATOM 0 HZ3 TRP A 57 6.056 6.182 -1.293 1.00 70.40 H new ATOM 0 HH2 TRP A 57 3.609 6.221 -1.369 1.00 51.31 H new ATOM 961 N ILE A 58 7.288 3.705 -5.175 1.00 24.24 N ATOM 962 CA ILE A 58 7.100 2.846 -4.009 1.00 22.42 C ATOM 963 C ILE A 58 8.284 1.926 -3.792 1.00 61.53 C ATOM 964 O ILE A 58 8.896 1.913 -2.724 1.00 32.55 O ATOM 965 CB ILE A 58 5.833 1.958 -4.226 1.00 12.41 C ATOM 966 CG1 ILE A 58 4.551 2.748 -4.007 1.00 2.41 C ATOM 967 CG2 ILE A 58 5.857 0.706 -3.365 1.00 4.01 C ATOM 968 CD1 ILE A 58 4.333 3.117 -2.589 1.00 25.43 C ATOM 0 H ILE A 58 6.593 3.556 -5.906 1.00 24.24 H new ATOM 0 HA ILE A 58 6.991 3.491 -3.137 1.00 22.42 H new ATOM 0 HB ILE A 58 5.852 1.635 -5.267 1.00 12.41 H new ATOM 0 HG12 ILE A 58 4.582 3.654 -4.612 1.00 2.41 H new ATOM 0 HG13 ILE A 58 3.704 2.159 -4.358 1.00 2.41 H new ATOM 0 HG21 ILE A 58 4.957 0.120 -3.550 1.00 4.01 H new ATOM 0 HG22 ILE A 58 6.735 0.110 -3.614 1.00 4.01 H new ATOM 0 HG23 ILE A 58 5.897 0.989 -2.313 1.00 4.01 H new ATOM 0 HD11 ILE A 58 3.403 3.678 -2.498 1.00 25.43 H new ATOM 0 HD12 ILE A 58 4.272 2.213 -1.983 1.00 25.43 H new ATOM 0 HD13 ILE A 58 5.163 3.731 -2.241 1.00 25.43 H new ATOM 980 N GLN A 59 8.634 1.214 -4.819 1.00 34.03 N ATOM 981 CA GLN A 59 9.671 0.228 -4.736 1.00 71.54 C ATOM 982 C GLN A 59 11.032 0.870 -4.628 1.00 5.24 C ATOM 983 O GLN A 59 11.917 0.360 -3.977 1.00 31.13 O ATOM 984 CB GLN A 59 9.550 -0.748 -5.894 1.00 21.24 C ATOM 985 CG GLN A 59 9.547 -0.102 -7.268 1.00 32.25 C ATOM 986 CD GLN A 59 9.154 -1.071 -8.355 1.00 75.23 C ATOM 987 OE1 GLN A 59 8.296 -2.010 -8.022 1.00 11.11 O flip ATOM 988 NE2 GLN A 59 9.599 -0.963 -9.498 1.00 61.13 N flip ATOM 0 H GLN A 59 8.208 1.300 -5.742 1.00 34.03 H new ATOM 0 HA GLN A 59 9.550 -0.349 -3.819 1.00 71.54 H new ATOM 0 HB2 GLN A 59 10.376 -1.457 -5.842 1.00 21.24 H new ATOM 0 HB3 GLN A 59 8.630 -1.321 -5.774 1.00 21.24 H new ATOM 0 HG2 GLN A 59 8.856 0.741 -7.269 1.00 32.25 H new ATOM 0 HG3 GLN A 59 10.538 0.298 -7.481 1.00 32.25 H new ATOM 0 HE21 GLN A 59 10.263 -0.221 -9.719 1.00 61.13 H new ATOM 0 HE22 GLN A 59 9.303 -1.615 -10.224 1.00 61.13 H new ATOM 997 N GLU A 60 11.164 2.033 -5.215 1.00 40.41 N ATOM 998 CA GLU A 60 12.409 2.778 -5.180 1.00 21.34 C ATOM 999 C GLU A 60 12.629 3.405 -3.787 1.00 63.14 C ATOM 1000 O GLU A 60 13.722 3.854 -3.448 1.00 44.44 O ATOM 1001 CB GLU A 60 12.391 3.844 -6.271 1.00 33.12 C ATOM 1002 CG GLU A 60 13.631 4.701 -6.374 1.00 43.30 C ATOM 1003 CD GLU A 60 13.444 5.810 -7.358 1.00 31.14 C ATOM 1004 OE1 GLU A 60 12.863 6.846 -6.982 1.00 51.50 O ATOM 1005 OE2 GLU A 60 13.847 5.665 -8.532 1.00 72.14 O ATOM 0 H GLU A 60 10.415 2.494 -5.732 1.00 40.41 H new ATOM 0 HA GLU A 60 13.242 2.100 -5.367 1.00 21.34 H new ATOM 0 HB2 GLU A 60 12.232 3.352 -7.231 1.00 33.12 H new ATOM 0 HB3 GLU A 60 11.535 4.496 -6.101 1.00 33.12 H new ATOM 0 HG2 GLU A 60 13.871 5.117 -5.395 1.00 43.30 H new ATOM 0 HG3 GLU A 60 14.478 4.084 -6.674 1.00 43.30 H new ATOM 1012 N TYR A 61 11.613 3.392 -3.000 1.00 4.11 N ATOM 1013 CA TYR A 61 11.665 3.969 -1.695 1.00 63.34 C ATOM 1014 C TYR A 61 11.717 2.850 -0.685 1.00 62.23 C ATOM 1015 O TYR A 61 12.730 2.617 -0.045 1.00 21.24 O ATOM 1016 CB TYR A 61 10.426 4.880 -1.506 1.00 60.13 C ATOM 1017 CG TYR A 61 10.225 5.526 -0.141 1.00 3.11 C ATOM 1018 CD1 TYR A 61 11.259 5.651 0.784 1.00 50.43 C ATOM 1019 CD2 TYR A 61 8.973 6.007 0.211 1.00 5.14 C ATOM 1020 CE1 TYR A 61 11.038 6.240 2.021 1.00 2.34 C ATOM 1021 CE2 TYR A 61 8.746 6.591 1.429 1.00 61.33 C ATOM 1022 CZ TYR A 61 9.773 6.708 2.335 1.00 13.33 C ATOM 1023 OH TYR A 61 9.537 7.303 3.559 1.00 71.01 O ATOM 0 H TYR A 61 10.712 2.978 -3.241 1.00 4.11 H new ATOM 0 HA TYR A 61 12.553 4.587 -1.559 1.00 63.34 H new ATOM 0 HB2 TYR A 61 10.478 5.675 -2.249 1.00 60.13 H new ATOM 0 HB3 TYR A 61 9.538 4.290 -1.732 1.00 60.13 H new ATOM 0 HD1 TYR A 61 12.244 5.285 0.536 1.00 50.43 H new ATOM 0 HD2 TYR A 61 8.158 5.919 -0.492 1.00 5.14 H new ATOM 0 HE1 TYR A 61 11.845 6.333 2.732 1.00 2.34 H new ATOM 0 HE2 TYR A 61 7.761 6.959 1.677 1.00 61.33 H new ATOM 0 HH TYR A 61 8.597 7.575 3.615 1.00 71.01 H new ATOM 1033 N LEU A 62 10.670 2.121 -0.615 1.00 13.54 N ATOM 1034 CA LEU A 62 10.543 1.051 0.342 1.00 2.41 C ATOM 1035 C LEU A 62 11.467 -0.107 0.065 1.00 52.30 C ATOM 1036 O LEU A 62 11.980 -0.726 0.983 1.00 60.12 O ATOM 1037 CB LEU A 62 9.104 0.562 0.433 1.00 31.14 C ATOM 1038 CG LEU A 62 8.075 1.472 1.119 1.00 41.54 C ATOM 1039 CD1 LEU A 62 8.506 1.838 2.532 1.00 74.22 C ATOM 1040 CD2 LEU A 62 7.795 2.706 0.296 1.00 64.31 C ATOM 0 H LEU A 62 9.858 2.238 -1.221 1.00 13.54 H new ATOM 0 HA LEU A 62 10.840 1.474 1.302 1.00 2.41 H new ATOM 0 HB2 LEU A 62 8.753 0.366 -0.580 1.00 31.14 H new ATOM 0 HB3 LEU A 62 9.108 -0.393 0.959 1.00 31.14 H new ATOM 0 HG LEU A 62 7.145 0.909 1.196 1.00 41.54 H new ATOM 0 HD11 LEU A 62 7.754 2.483 2.986 1.00 74.22 H new ATOM 0 HD12 LEU A 62 8.613 0.931 3.126 1.00 74.22 H new ATOM 0 HD13 LEU A 62 9.460 2.363 2.497 1.00 74.22 H new ATOM 0 HD21 LEU A 62 7.063 3.328 0.811 1.00 64.31 H new ATOM 0 HD22 LEU A 62 8.718 3.270 0.160 1.00 64.31 H new ATOM 0 HD23 LEU A 62 7.402 2.413 -0.677 1.00 64.31 H new ATOM 1052 N GLU A 63 11.745 -0.365 -1.174 1.00 65.12 N ATOM 1053 CA GLU A 63 12.497 -1.549 -1.477 1.00 41.11 C ATOM 1054 C GLU A 63 13.919 -1.226 -1.840 1.00 0.53 C ATOM 1055 O GLU A 63 14.825 -2.025 -1.639 1.00 50.15 O ATOM 1056 CB GLU A 63 11.802 -2.421 -2.528 1.00 72.42 C ATOM 1057 CG GLU A 63 10.450 -2.975 -2.066 1.00 61.50 C ATOM 1058 CD GLU A 63 10.559 -3.828 -0.819 1.00 4.12 C ATOM 1059 OE1 GLU A 63 10.859 -5.044 -0.947 1.00 51.31 O ATOM 1060 OE2 GLU A 63 10.339 -3.312 0.292 1.00 22.35 O ATOM 0 H GLU A 63 11.474 0.207 -1.974 1.00 65.12 H new ATOM 0 HA GLU A 63 12.537 -2.147 -0.567 1.00 41.11 H new ATOM 0 HB2 GLU A 63 11.655 -1.835 -3.435 1.00 72.42 H new ATOM 0 HB3 GLU A 63 12.456 -3.253 -2.789 1.00 72.42 H new ATOM 0 HG2 GLU A 63 9.769 -2.146 -1.875 1.00 61.50 H new ATOM 0 HG3 GLU A 63 10.012 -3.568 -2.869 1.00 61.50 H new ATOM 1067 N LYS A 64 14.131 -0.059 -2.330 1.00 3.22 N ATOM 1068 CA LYS A 64 15.446 0.324 -2.722 1.00 2.21 C ATOM 1069 C LYS A 64 16.147 0.989 -1.545 1.00 1.41 C ATOM 1070 O LYS A 64 17.340 0.798 -1.335 1.00 61.11 O ATOM 1071 CB LYS A 64 15.386 1.203 -4.013 1.00 22.24 C ATOM 1072 CG LYS A 64 16.720 1.673 -4.637 1.00 51.25 C ATOM 1073 CD LYS A 64 17.433 2.722 -3.801 1.00 61.14 C ATOM 1074 CE LYS A 64 18.742 3.139 -4.430 1.00 4.41 C ATOM 1075 NZ LYS A 64 19.494 4.059 -3.562 1.00 32.31 N ATOM 0 H LYS A 64 13.413 0.651 -2.471 1.00 3.22 H new ATOM 0 HA LYS A 64 16.044 -0.548 -2.987 1.00 2.21 H new ATOM 0 HB2 LYS A 64 14.842 0.642 -4.773 1.00 22.24 H new ATOM 0 HB3 LYS A 64 14.794 2.089 -3.786 1.00 22.24 H new ATOM 0 HG2 LYS A 64 17.377 0.813 -4.766 1.00 51.25 H new ATOM 0 HG3 LYS A 64 16.527 2.079 -5.630 1.00 51.25 H new ATOM 0 HD2 LYS A 64 16.790 3.595 -3.685 1.00 61.14 H new ATOM 0 HD3 LYS A 64 17.618 2.328 -2.802 1.00 61.14 H new ATOM 0 HE2 LYS A 64 19.346 2.255 -4.633 1.00 4.41 H new ATOM 0 HE3 LYS A 64 18.548 3.620 -5.389 1.00 4.41 H new ATOM 0 HZ1 LYS A 64 20.386 4.323 -4.027 1.00 32.31 H new ATOM 0 HZ2 LYS A 64 18.927 4.914 -3.389 1.00 32.31 H new ATOM 0 HZ3 LYS A 64 19.701 3.591 -2.657 1.00 32.31 H new ATOM 1089 N ALA A 65 15.403 1.720 -0.751 1.00 20.42 N ATOM 1090 CA ALA A 65 16.021 2.420 0.366 1.00 54.11 C ATOM 1091 C ALA A 65 15.886 1.640 1.666 1.00 70.31 C ATOM 1092 O ALA A 65 16.831 1.564 2.457 1.00 33.05 O ATOM 1093 CB ALA A 65 15.464 3.827 0.515 1.00 44.24 C ATOM 0 H ALA A 65 14.396 1.849 -0.846 1.00 20.42 H new ATOM 0 HA ALA A 65 17.085 2.502 0.142 1.00 54.11 H new ATOM 0 HB1 ALA A 65 15.946 4.322 1.358 1.00 44.24 H new ATOM 0 HB2 ALA A 65 15.656 4.393 -0.397 1.00 44.24 H new ATOM 0 HB3 ALA A 65 14.389 3.776 0.691 1.00 44.24 H new ATOM 1099 N LEU A 66 14.735 1.053 1.887 1.00 42.13 N ATOM 1100 CA LEU A 66 14.513 0.310 3.128 1.00 41.32 C ATOM 1101 C LEU A 66 14.920 -1.146 3.013 1.00 22.43 C ATOM 1102 O LEU A 66 15.489 -1.714 3.946 1.00 54.12 O ATOM 1103 CB LEU A 66 13.050 0.417 3.642 1.00 12.22 C ATOM 1104 CG LEU A 66 12.575 1.767 4.250 1.00 52.40 C ATOM 1105 CD1 LEU A 66 13.398 2.134 5.468 1.00 14.41 C ATOM 1106 CD2 LEU A 66 12.588 2.901 3.235 1.00 73.22 C ATOM 0 H LEU A 66 13.943 1.067 1.244 1.00 42.13 H new ATOM 0 HA LEU A 66 15.160 0.786 3.865 1.00 41.32 H new ATOM 0 HB2 LEU A 66 12.388 0.177 2.810 1.00 12.22 H new ATOM 0 HB3 LEU A 66 12.906 -0.356 4.397 1.00 12.22 H new ATOM 0 HG LEU A 66 11.539 1.623 4.557 1.00 52.40 H new ATOM 0 HD11 LEU A 66 13.045 3.082 5.873 1.00 14.41 H new ATOM 0 HD12 LEU A 66 13.296 1.356 6.224 1.00 14.41 H new ATOM 0 HD13 LEU A 66 14.446 2.229 5.184 1.00 14.41 H new ATOM 0 HD21 LEU A 66 12.248 3.820 3.712 1.00 73.22 H new ATOM 0 HD22 LEU A 66 13.601 3.041 2.859 1.00 73.22 H new ATOM 0 HD23 LEU A 66 11.924 2.655 2.406 1.00 73.22 H new ATOM 1118 N ASN A 67 14.663 -1.746 1.875 1.00 72.11 N ATOM 1119 CA ASN A 67 14.908 -3.172 1.722 1.00 52.44 C ATOM 1120 C ASN A 67 16.359 -3.455 1.365 1.00 54.14 C ATOM 1121 O ASN A 67 16.944 -4.416 1.856 1.00 2.43 O ATOM 1122 CB ASN A 67 13.979 -3.760 0.667 1.00 4.32 C ATOM 1123 CG ASN A 67 13.959 -5.269 0.638 1.00 41.31 C ATOM 1124 OD1 ASN A 67 14.739 -5.911 -0.058 1.00 4.44 O ATOM 1125 ND2 ASN A 67 13.036 -5.838 1.361 1.00 33.31 N ATOM 0 H ASN A 67 14.289 -1.282 1.047 1.00 72.11 H new ATOM 0 HA ASN A 67 14.703 -3.648 2.681 1.00 52.44 H new ATOM 0 HB2 ASN A 67 12.967 -3.397 0.846 1.00 4.32 H new ATOM 0 HB3 ASN A 67 14.281 -3.392 -0.314 1.00 4.32 H new ATOM 0 HD21 ASN A 67 12.943 -6.854 1.362 1.00 33.31 H new ATOM 0 HD22 ASN A 67 12.407 -5.268 1.926 1.00 33.31 H new ATOM 1132 N LYS A 68 16.945 -2.613 0.529 1.00 72.43 N ATOM 1133 CA LYS A 68 18.316 -2.814 0.106 1.00 20.33 C ATOM 1134 C LYS A 68 19.270 -2.205 1.112 1.00 35.50 C ATOM 1135 O LYS A 68 19.559 -1.003 1.027 1.00 40.25 O ATOM 1136 CB LYS A 68 18.569 -2.242 -1.295 1.00 24.42 C ATOM 1137 CG LYS A 68 19.950 -2.594 -1.838 1.00 31.12 C ATOM 1138 CD LYS A 68 20.145 -2.125 -3.263 1.00 22.15 C ATOM 1139 CE LYS A 68 21.496 -2.584 -3.802 1.00 12.02 C ATOM 1140 NZ LYS A 68 21.694 -2.199 -5.213 1.00 24.34 N ATOM 1141 OXT LYS A 68 19.734 -2.934 2.005 1.00 40.25 O ATOM 0 H LYS A 68 16.493 -1.789 0.133 1.00 72.43 H new ATOM 0 HA LYS A 68 18.494 -3.888 0.055 1.00 20.33 H new ATOM 0 HB2 LYS A 68 17.808 -2.619 -1.979 1.00 24.42 H new ATOM 0 HB3 LYS A 68 18.461 -1.158 -1.264 1.00 24.42 H new ATOM 0 HG2 LYS A 68 20.713 -2.144 -1.203 1.00 31.12 H new ATOM 0 HG3 LYS A 68 20.092 -3.674 -1.791 1.00 31.12 H new ATOM 0 HD2 LYS A 68 19.345 -2.516 -3.892 1.00 22.15 H new ATOM 0 HD3 LYS A 68 20.082 -1.038 -3.305 1.00 22.15 H new ATOM 0 HE2 LYS A 68 22.292 -2.154 -3.195 1.00 12.02 H new ATOM 0 HE3 LYS A 68 21.573 -3.667 -3.709 1.00 12.02 H new ATOM 0 HZ1 LYS A 68 22.625 -2.532 -5.536 1.00 24.34 H new ATOM 0 HZ2 LYS A 68 20.950 -2.630 -5.798 1.00 24.34 H new ATOM 0 HZ3 LYS A 68 21.647 -1.164 -5.300 1.00 24.34 H new TER 1155 LYS A 68