USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN :FLIP amide:sc= -0.0135 F(o=-0.71!,f=-0.18) USER MOD Set 1.2: B 20 ASN : amide:sc= -0.165 K(o=-0.18,f=-0.69) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 19 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.14) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= 0.717 K(o=0.72,f=-3.7!) USER MOD Single : A 25 ASN : amide:sc= -1.97! C(o=-2!,f=-4.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 33:sc= 0.226 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 79:sc= 0.514 USER MOD Single : B 17 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.74) USER MOD Single : B 19 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.081) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= -0.0294 K(o=-0.029,f=-5.4!) USER MOD Single : B 25 ASN : amide:sc= 1.13 K(o=1.1,f=-0.02) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -163:sc= -0.0653 (180deg=-0.356) USER MOD ----------------------------------------------------------------- ATOM 24 N SER A 3 -25.087 8.004 3.338 1.00 0.00 N ATOM 25 CA SER A 3 -24.457 9.085 2.603 1.00 0.00 C ATOM 26 C SER A 3 -23.118 9.427 3.245 1.00 0.00 C ATOM 27 O SER A 3 -22.093 9.519 2.565 1.00 0.00 O ATOM 28 CB SER A 3 -25.380 10.306 2.582 1.00 0.00 C ATOM 29 OG SER A 3 -24.884 11.318 1.722 1.00 0.00 O ATOM 0 HA SER A 3 -24.279 8.773 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.375 10.005 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.482 10.703 3.592 1.00 0.00 H new ATOM 0 HG SER A 3 -25.497 12.083 1.730 1.00 0.00 H new ATOM 35 N SER A 4 -23.134 9.589 4.562 1.00 0.00 N ATOM 36 CA SER A 4 -21.922 9.858 5.318 1.00 0.00 C ATOM 37 C SER A 4 -20.977 8.666 5.220 1.00 0.00 C ATOM 38 O SER A 4 -19.757 8.830 5.134 1.00 0.00 O ATOM 39 CB SER A 4 -22.266 10.149 6.781 1.00 0.00 C ATOM 40 OG SER A 4 -21.128 10.594 7.497 1.00 0.00 O ATOM 0 H SER A 4 -23.980 9.538 5.130 1.00 0.00 H new ATOM 0 HA SER A 4 -21.427 10.734 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 4 -23.048 10.907 6.829 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.664 9.249 7.249 1.00 0.00 H new ATOM 0 HG SER A 4 -21.377 10.774 8.428 1.00 0.00 H new ATOM 46 N SER A 5 -21.555 7.466 5.222 1.00 0.00 N ATOM 47 CA SER A 5 -20.789 6.239 5.058 1.00 0.00 C ATOM 48 C SER A 5 -20.062 6.245 3.717 1.00 0.00 C ATOM 49 O SER A 5 -18.865 5.974 3.650 1.00 0.00 O ATOM 50 CB SER A 5 -21.716 5.026 5.139 1.00 0.00 C ATOM 51 OG SER A 5 -22.514 5.066 6.308 1.00 0.00 O ATOM 0 H SER A 5 -22.558 7.321 5.336 1.00 0.00 H new ATOM 0 HA SER A 5 -20.052 6.179 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.358 4.997 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.123 4.111 5.132 1.00 0.00 H new ATOM 0 HG SER A 5 -23.098 4.279 6.333 1.00 0.00 H new ATOM 57 N LEU A 6 -20.794 6.577 2.657 1.00 0.00 N ATOM 58 CA LEU A 6 -20.234 6.614 1.311 1.00 0.00 C ATOM 59 C LEU A 6 -19.082 7.609 1.231 1.00 0.00 C ATOM 60 O LEU A 6 -18.022 7.304 0.688 1.00 0.00 O ATOM 61 CB LEU A 6 -21.319 6.988 0.298 1.00 0.00 C ATOM 62 CG LEU A 6 -20.858 7.038 -1.157 1.00 0.00 C ATOM 63 CD1 LEU A 6 -20.364 5.673 -1.612 1.00 0.00 C ATOM 64 CD2 LEU A 6 -21.984 7.530 -2.050 1.00 0.00 C ATOM 0 H LEU A 6 -21.782 6.825 2.706 1.00 0.00 H new ATOM 0 HA LEU A 6 -19.850 5.622 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.134 6.269 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.725 7.963 0.568 1.00 0.00 H new ATOM 0 HG LEU A 6 -20.027 7.739 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -20.040 5.731 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.526 5.363 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -21.171 4.946 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -21.641 7.561 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -22.834 6.853 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -22.285 8.530 -1.738 1.00 0.00 H new ATOM 76 N GLU A 7 -19.301 8.792 1.788 1.00 0.00 N ATOM 77 CA GLU A 7 -18.291 9.840 1.803 1.00 0.00 C ATOM 78 C GLU A 7 -17.034 9.345 2.520 1.00 0.00 C ATOM 79 O GLU A 7 -15.919 9.469 2.005 1.00 0.00 O ATOM 80 CB GLU A 7 -18.862 11.084 2.496 1.00 0.00 C ATOM 81 CG GLU A 7 -18.189 12.394 2.108 1.00 0.00 C ATOM 82 CD GLU A 7 -16.777 12.530 2.634 1.00 0.00 C ATOM 83 OE1 GLU A 7 -16.596 12.531 3.866 1.00 0.00 O ATOM 84 OE2 GLU A 7 -15.844 12.676 1.816 1.00 0.00 O ATOM 0 H GLU A 7 -20.178 9.051 2.239 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.017 10.101 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.925 11.155 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.777 10.953 3.575 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.172 12.476 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.788 13.225 2.481 1.00 0.00 H new ATOM 91 N ALA A 8 -17.236 8.756 3.696 1.00 0.00 N ATOM 92 CA ALA A 8 -16.136 8.246 4.506 1.00 0.00 C ATOM 93 C ALA A 8 -15.362 7.152 3.777 1.00 0.00 C ATOM 94 O ALA A 8 -14.139 7.203 3.697 1.00 0.00 O ATOM 95 CB ALA A 8 -16.658 7.724 5.836 1.00 0.00 C ATOM 0 H ALA A 8 -18.158 8.620 4.110 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.450 9.072 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.826 7.346 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.152 8.532 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.371 6.919 5.656 1.00 0.00 H new ATOM 101 N VAL A 9 -16.079 6.171 3.241 1.00 0.00 N ATOM 102 CA VAL A 9 -15.447 5.052 2.545 1.00 0.00 C ATOM 103 C VAL A 9 -14.696 5.534 1.306 1.00 0.00 C ATOM 104 O VAL A 9 -13.582 5.085 1.029 1.00 0.00 O ATOM 105 CB VAL A 9 -16.482 3.977 2.136 1.00 0.00 C ATOM 106 CG1 VAL A 9 -15.827 2.863 1.332 1.00 0.00 C ATOM 107 CG2 VAL A 9 -17.166 3.400 3.364 1.00 0.00 C ATOM 0 H VAL A 9 -17.097 6.126 3.274 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.739 4.603 3.241 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.231 4.458 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -16.578 2.122 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.382 3.280 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.051 2.389 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.890 2.646 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.420 2.943 4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.679 4.197 3.903 1.00 0.00 H new ATOM 117 N ARG A 10 -15.305 6.456 0.570 1.00 0.00 N ATOM 118 CA ARG A 10 -14.680 7.032 -0.614 1.00 0.00 C ATOM 119 C ARG A 10 -13.365 7.712 -0.235 1.00 0.00 C ATOM 120 O ARG A 10 -12.337 7.513 -0.886 1.00 0.00 O ATOM 121 CB ARG A 10 -15.649 8.017 -1.284 1.00 0.00 C ATOM 122 CG ARG A 10 -15.126 8.686 -2.552 1.00 0.00 C ATOM 123 CD ARG A 10 -14.276 9.913 -2.245 1.00 0.00 C ATOM 124 NE ARG A 10 -14.946 10.824 -1.317 1.00 0.00 N ATOM 125 CZ ARG A 10 -15.835 11.746 -1.686 1.00 0.00 C ATOM 126 NH1 ARG A 10 -16.163 11.888 -2.963 1.00 0.00 N ATOM 127 NH2 ARG A 10 -16.394 12.527 -0.777 1.00 0.00 N ATOM 0 H ARG A 10 -16.235 6.822 0.774 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.452 6.241 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.570 7.487 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.908 8.793 -0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.535 7.969 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.967 8.977 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.324 9.597 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.052 10.440 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.719 10.749 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.734 11.290 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.844 12.595 -3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.145 12.424 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.074 13.233 -1.060 1.00 0.00 H new ATOM 141 N ARG A 11 -13.403 8.504 0.827 1.00 0.00 N ATOM 142 CA ARG A 11 -12.214 9.193 1.301 1.00 0.00 C ATOM 143 C ARG A 11 -11.192 8.184 1.816 1.00 0.00 C ATOM 144 O ARG A 11 -9.985 8.353 1.631 1.00 0.00 O ATOM 145 CB ARG A 11 -12.574 10.182 2.411 1.00 0.00 C ATOM 146 CG ARG A 11 -11.395 11.012 2.892 1.00 0.00 C ATOM 147 CD ARG A 11 -11.762 11.835 4.112 1.00 0.00 C ATOM 148 NE ARG A 11 -12.084 10.993 5.261 1.00 0.00 N ATOM 149 CZ ARG A 11 -13.109 11.206 6.078 1.00 0.00 C ATOM 150 NH1 ARG A 11 -13.965 12.193 5.835 1.00 0.00 N ATOM 151 NH2 ARG A 11 -13.289 10.414 7.128 1.00 0.00 N ATOM 0 H ARG A 11 -14.244 8.685 1.375 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.780 9.746 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.356 10.851 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.989 9.632 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.559 10.355 3.132 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.062 11.673 2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.933 12.495 4.367 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.616 12.471 3.877 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.483 10.190 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.836 12.790 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.751 12.353 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.641 9.646 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.075 10.574 7.758 1.00 0.00 H new ATOM 165 N LYS A 12 -11.691 7.135 2.454 1.00 0.00 N ATOM 166 CA LYS A 12 -10.842 6.099 3.023 1.00 0.00 C ATOM 167 C LYS A 12 -10.055 5.374 1.935 1.00 0.00 C ATOM 168 O LYS A 12 -8.833 5.280 2.015 1.00 0.00 O ATOM 169 CB LYS A 12 -11.678 5.106 3.831 1.00 0.00 C ATOM 170 CG LYS A 12 -10.844 4.055 4.546 1.00 0.00 C ATOM 171 CD LYS A 12 -9.852 4.689 5.507 1.00 0.00 C ATOM 172 CE LYS A 12 -8.933 3.650 6.121 1.00 0.00 C ATOM 173 NZ LYS A 12 -7.903 4.272 6.992 1.00 0.00 N ATOM 0 H LYS A 12 -12.690 6.979 2.591 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.128 6.579 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.268 5.653 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.382 4.608 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.501 3.379 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.307 3.454 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.258 5.435 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.392 5.211 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.522 2.942 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.445 3.083 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.294 3.531 7.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.324 4.929 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.368 4.793 7.763 1.00 0.00 H new ATOM 187 N ILE A 13 -10.747 4.875 0.915 1.00 0.00 N ATOM 188 CA ILE A 13 -10.077 4.145 -0.158 1.00 0.00 C ATOM 189 C ILE A 13 -9.141 5.063 -0.937 1.00 0.00 C ATOM 190 O ILE A 13 -8.101 4.624 -1.439 1.00 0.00 O ATOM 191 CB ILE A 13 -11.079 3.437 -1.111 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.084 4.420 -1.734 1.00 0.00 C ATOM 193 CG2 ILE A 13 -11.814 2.330 -0.369 1.00 0.00 C ATOM 194 CD1 ILE A 13 -11.627 5.030 -3.047 1.00 0.00 C ATOM 0 H ILE A 13 -11.758 4.960 0.808 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.483 3.362 0.314 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.502 3.005 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.029 3.901 -1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.279 5.222 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.514 1.840 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.094 1.599 -0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.361 2.757 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.393 5.711 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.699 5.580 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.460 4.238 -3.777 1.00 0.00 H new ATOM 206 N ARG A 14 -9.507 6.337 -1.021 1.00 0.00 N ATOM 207 CA ARG A 14 -8.636 7.345 -1.608 1.00 0.00 C ATOM 208 C ARG A 14 -7.360 7.456 -0.785 1.00 0.00 C ATOM 209 O ARG A 14 -6.252 7.386 -1.317 1.00 0.00 O ATOM 210 CB ARG A 14 -9.339 8.699 -1.638 1.00 0.00 C ATOM 211 CG ARG A 14 -8.456 9.838 -2.124 1.00 0.00 C ATOM 212 CD ARG A 14 -8.986 11.181 -1.654 1.00 0.00 C ATOM 213 NE ARG A 14 -8.128 12.288 -2.071 1.00 0.00 N ATOM 214 CZ ARG A 14 -7.028 12.672 -1.420 1.00 0.00 C ATOM 215 NH1 ARG A 14 -6.627 12.026 -0.331 1.00 0.00 N ATOM 216 NH2 ARG A 14 -6.327 13.706 -1.861 1.00 0.00 N ATOM 0 H ARG A 14 -10.402 6.695 -0.689 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.392 7.049 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.214 8.629 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.700 8.933 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.440 9.696 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.406 9.824 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.990 11.332 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.069 11.177 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.387 12.800 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.161 11.229 0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.785 12.327 0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.628 14.207 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.486 14.001 -1.365 1.00 0.00 H new ATOM 230 N SER A 15 -7.538 7.619 0.521 1.00 0.00 N ATOM 231 CA SER A 15 -6.427 7.760 1.446 1.00 0.00 C ATOM 232 C SER A 15 -5.536 6.521 1.411 1.00 0.00 C ATOM 233 O SER A 15 -4.314 6.632 1.456 1.00 0.00 O ATOM 234 CB SER A 15 -6.965 7.999 2.863 1.00 0.00 C ATOM 235 OG SER A 15 -5.918 8.255 3.784 1.00 0.00 O ATOM 0 H SER A 15 -8.456 7.657 0.965 1.00 0.00 H new ATOM 0 HA SER A 15 -5.822 8.616 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.655 8.842 2.853 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.532 7.127 3.189 1.00 0.00 H new ATOM 0 HG SER A 15 -6.296 8.404 4.676 1.00 0.00 H new ATOM 241 N LEU A 16 -6.155 5.347 1.317 1.00 0.00 N ATOM 242 CA LEU A 16 -5.418 4.090 1.247 1.00 0.00 C ATOM 243 C LEU A 16 -4.465 4.083 0.060 1.00 0.00 C ATOM 244 O LEU A 16 -3.255 3.946 0.231 1.00 0.00 O ATOM 245 CB LEU A 16 -6.379 2.899 1.151 1.00 0.00 C ATOM 246 CG LEU A 16 -7.246 2.656 2.388 1.00 0.00 C ATOM 247 CD1 LEU A 16 -8.210 1.504 2.145 1.00 0.00 C ATOM 248 CD2 LEU A 16 -6.374 2.376 3.605 1.00 0.00 C ATOM 0 H LEU A 16 -7.169 5.241 1.288 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.835 3.997 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.034 3.050 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.797 1.999 0.953 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.828 3.557 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.819 1.345 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.857 1.743 1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.646 0.598 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.008 2.206 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.765 1.491 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.724 3.231 3.791 1.00 0.00 H new ATOM 260 N GLN A 17 -5.006 4.264 -1.141 1.00 0.00 N ATOM 261 CA GLN A 17 -4.191 4.213 -2.351 1.00 0.00 C ATOM 262 C GLN A 17 -3.173 5.348 -2.371 1.00 0.00 C ATOM 263 O GLN A 17 -2.038 5.162 -2.805 1.00 0.00 O ATOM 264 CB GLN A 17 -5.069 4.263 -3.605 1.00 0.00 C ATOM 265 CG GLN A 17 -6.078 3.128 -3.682 1.00 0.00 C ATOM 266 CD GLN A 17 -6.802 3.063 -5.015 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.247 3.412 -6.058 1.00 0.00 O ATOM 268 NE2 GLN A 17 -8.049 2.619 -4.990 1.00 0.00 N ATOM 0 H GLN A 17 -5.997 4.446 -1.302 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.650 3.267 -2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.601 5.214 -3.629 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.431 4.232 -4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.566 2.182 -3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.810 3.246 -2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.473 2.339 -4.106 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.586 2.556 -5.855 1.00 0.00 H new ATOM 277 N GLU A 18 -3.578 6.515 -1.885 1.00 0.00 N ATOM 278 CA GLU A 18 -2.686 7.667 -1.822 1.00 0.00 C ATOM 279 C GLU A 18 -1.528 7.402 -0.862 1.00 0.00 C ATOM 280 O GLU A 18 -0.369 7.681 -1.177 1.00 0.00 O ATOM 281 CB GLU A 18 -3.462 8.910 -1.388 1.00 0.00 C ATOM 282 CG GLU A 18 -2.613 10.165 -1.296 1.00 0.00 C ATOM 283 CD GLU A 18 -3.438 11.395 -0.985 1.00 0.00 C ATOM 284 OE1 GLU A 18 -3.817 11.580 0.191 1.00 0.00 O ATOM 285 OE2 GLU A 18 -3.716 12.179 -1.916 1.00 0.00 O ATOM 0 H GLU A 18 -4.518 6.689 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.273 7.839 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.274 9.084 -2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.919 8.720 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.856 10.033 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.084 10.313 -2.238 1.00 0.00 H new ATOM 292 N GLN A 19 -1.847 6.850 0.301 1.00 0.00 N ATOM 293 CA GLN A 19 -0.834 6.513 1.289 1.00 0.00 C ATOM 294 C GLN A 19 0.082 5.419 0.754 1.00 0.00 C ATOM 295 O GLN A 19 1.290 5.459 0.964 1.00 0.00 O ATOM 296 CB GLN A 19 -1.485 6.062 2.601 1.00 0.00 C ATOM 297 CG GLN A 19 -0.489 5.765 3.711 1.00 0.00 C ATOM 298 CD GLN A 19 0.374 6.963 4.056 1.00 0.00 C ATOM 299 OE1 GLN A 19 0.017 7.776 4.909 1.00 0.00 O ATOM 300 NE2 GLN A 19 1.518 7.079 3.398 1.00 0.00 N ATOM 0 H GLN A 19 -2.801 6.626 0.583 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.240 7.405 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.172 6.837 2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.081 5.169 2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.029 5.442 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.151 4.936 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.777 6.383 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.140 7.864 3.591 1.00 0.00 H new ATOM 309 N ASN A 20 -0.498 4.449 0.053 1.00 0.00 N ATOM 310 CA ASN A 20 0.279 3.354 -0.528 1.00 0.00 C ATOM 311 C ASN A 20 1.237 3.878 -1.589 1.00 0.00 C ATOM 312 O ASN A 20 2.382 3.444 -1.663 1.00 0.00 O ATOM 313 CB ASN A 20 -0.639 2.281 -1.128 1.00 0.00 C ATOM 314 CG ASN A 20 -1.267 1.383 -0.075 1.00 0.00 C ATOM 315 OD1 ASN A 20 -1.453 1.910 1.125 1.00 0.00 O flip ATOM 316 ND2 ASN A 20 -1.576 0.220 -0.340 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.501 4.397 -0.127 1.00 0.00 H new ATOM 0 HA ASN A 20 0.860 2.898 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.428 2.766 -1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.067 1.669 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.416 -0.149 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.991 -0.374 0.378 1.00 0.00 H new ATOM 323 N TYR A 21 0.762 4.818 -2.397 1.00 0.00 N ATOM 324 CA TYR A 21 1.595 5.466 -3.407 1.00 0.00 C ATOM 325 C TYR A 21 2.774 6.173 -2.734 1.00 0.00 C ATOM 326 O TYR A 21 3.926 6.066 -3.176 1.00 0.00 O ATOM 327 CB TYR A 21 0.749 6.474 -4.197 1.00 0.00 C ATOM 328 CG TYR A 21 1.425 7.055 -5.419 1.00 0.00 C ATOM 329 CD1 TYR A 21 2.208 8.199 -5.335 1.00 0.00 C ATOM 330 CD2 TYR A 21 1.269 6.458 -6.662 1.00 0.00 C ATOM 331 CE1 TYR A 21 2.807 8.736 -6.456 1.00 0.00 C ATOM 332 CE2 TYR A 21 1.868 6.988 -7.787 1.00 0.00 C ATOM 333 CZ TYR A 21 2.640 8.125 -7.680 1.00 0.00 C ATOM 334 OH TYR A 21 3.229 8.661 -8.801 1.00 0.00 O ATOM 0 H TYR A 21 -0.202 5.151 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 21 1.986 4.715 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.174 5.986 -4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.469 7.291 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.350 8.676 -4.377 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.669 5.564 -6.751 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.405 9.632 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.732 6.514 -8.748 1.00 0.00 H new ATOM 0 HH TYR A 21 3.013 8.108 -9.580 1.00 0.00 H new ATOM 344 N HIS A 22 2.471 6.871 -1.644 1.00 0.00 N ATOM 345 CA HIS A 22 3.488 7.580 -0.880 1.00 0.00 C ATOM 346 C HIS A 22 4.450 6.584 -0.242 1.00 0.00 C ATOM 347 O HIS A 22 5.641 6.851 -0.115 1.00 0.00 O ATOM 348 CB HIS A 22 2.838 8.449 0.200 1.00 0.00 C ATOM 349 CG HIS A 22 3.588 9.713 0.494 1.00 0.00 C ATOM 350 ND1 HIS A 22 4.814 9.748 1.127 1.00 0.00 N ATOM 351 CD2 HIS A 22 3.274 11.005 0.228 1.00 0.00 C ATOM 352 CE1 HIS A 22 5.215 10.998 1.237 1.00 0.00 C ATOM 353 NE2 HIS A 22 4.303 11.780 0.699 1.00 0.00 N ATOM 0 H HIS A 22 1.526 6.960 -1.270 1.00 0.00 H new ATOM 0 HA HIS A 22 4.044 8.228 -1.558 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.825 8.703 -0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.752 7.867 1.118 1.00 0.00 H new ATOM 0 HD1 HIS A 22 5.330 8.933 1.458 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.380 11.358 -0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 22 6.138 11.326 1.692 1.00 0.00 H new ATOM 362 N LEU A 23 3.921 5.431 0.156 1.00 0.00 N ATOM 363 CA LEU A 23 4.742 4.361 0.710 1.00 0.00 C ATOM 364 C LEU A 23 5.629 3.757 -0.370 1.00 0.00 C ATOM 365 O LEU A 23 6.759 3.360 -0.098 1.00 0.00 O ATOM 366 CB LEU A 23 3.869 3.272 1.344 1.00 0.00 C ATOM 367 CG LEU A 23 3.110 3.692 2.605 1.00 0.00 C ATOM 368 CD1 LEU A 23 2.224 2.558 3.096 1.00 0.00 C ATOM 369 CD2 LEU A 23 4.081 4.117 3.696 1.00 0.00 C ATOM 0 H LEU A 23 2.926 5.214 0.105 1.00 0.00 H new ATOM 0 HA LEU A 23 5.374 4.790 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.147 2.931 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.502 2.419 1.588 1.00 0.00 H new ATOM 0 HG LEU A 23 2.476 4.543 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.692 2.874 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.504 2.297 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.840 1.689 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.523 4.412 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.740 3.284 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.677 4.960 3.345 1.00 0.00 H new ATOM 381 N GLU A 24 5.111 3.692 -1.593 1.00 0.00 N ATOM 382 CA GLU A 24 5.887 3.205 -2.729 1.00 0.00 C ATOM 383 C GLU A 24 7.173 4.001 -2.882 1.00 0.00 C ATOM 384 O GLU A 24 8.266 3.432 -2.856 1.00 0.00 O ATOM 385 CB GLU A 24 5.091 3.299 -4.031 1.00 0.00 C ATOM 386 CG GLU A 24 3.962 2.297 -4.157 1.00 0.00 C ATOM 387 CD GLU A 24 3.341 2.330 -5.535 1.00 0.00 C ATOM 388 OE1 GLU A 24 3.969 1.808 -6.482 1.00 0.00 O ATOM 389 OE2 GLU A 24 2.241 2.901 -5.685 1.00 0.00 O ATOM 0 H GLU A 24 4.157 3.970 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 24 6.122 2.159 -2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.678 4.304 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.774 3.163 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.339 1.295 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.199 2.511 -3.408 1.00 0.00 H new ATOM 396 N ASN A 25 7.043 5.319 -3.033 1.00 0.00 N ATOM 397 CA ASN A 25 8.223 6.161 -3.217 1.00 0.00 C ATOM 398 C ASN A 25 9.079 6.177 -1.956 1.00 0.00 C ATOM 399 O ASN A 25 10.304 6.294 -2.035 1.00 0.00 O ATOM 400 CB ASN A 25 7.855 7.594 -3.645 1.00 0.00 C ATOM 401 CG ASN A 25 6.974 8.331 -2.654 1.00 0.00 C ATOM 402 OD1 ASN A 25 5.751 8.299 -2.756 1.00 0.00 O ATOM 403 ND2 ASN A 25 7.587 9.014 -1.698 1.00 0.00 N ATOM 0 H ASN A 25 6.153 5.817 -3.032 1.00 0.00 H new ATOM 0 HA ASN A 25 8.805 5.723 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.772 8.164 -3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.346 7.554 -4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.040 9.537 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.606 9.016 -1.646 1.00 0.00 H new ATOM 410 N GLU A 26 8.437 6.034 -0.800 1.00 0.00 N ATOM 411 CA GLU A 26 9.152 5.947 0.469 1.00 0.00 C ATOM 412 C GLU A 26 10.079 4.734 0.479 1.00 0.00 C ATOM 413 O GLU A 26 11.291 4.869 0.649 1.00 0.00 O ATOM 414 CB GLU A 26 8.167 5.838 1.632 1.00 0.00 C ATOM 415 CG GLU A 26 8.375 6.886 2.710 1.00 0.00 C ATOM 416 CD GLU A 26 8.051 8.281 2.232 1.00 0.00 C ATOM 417 OE1 GLU A 26 8.955 8.962 1.702 1.00 0.00 O ATOM 418 OE2 GLU A 26 6.889 8.706 2.392 1.00 0.00 O ATOM 0 H GLU A 26 7.422 5.976 -0.716 1.00 0.00 H new ATOM 0 HA GLU A 26 9.745 6.854 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.152 5.924 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.255 4.848 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.750 6.646 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.410 6.853 3.049 1.00 0.00 H new ATOM 425 N VAL A 27 9.500 3.556 0.273 1.00 0.00 N ATOM 426 CA VAL A 27 10.264 2.316 0.262 1.00 0.00 C ATOM 427 C VAL A 27 11.317 2.351 -0.840 1.00 0.00 C ATOM 428 O VAL A 27 12.456 1.932 -0.634 1.00 0.00 O ATOM 429 CB VAL A 27 9.353 1.082 0.066 1.00 0.00 C ATOM 430 CG1 VAL A 27 10.174 -0.198 0.013 1.00 0.00 C ATOM 431 CG2 VAL A 27 8.318 0.997 1.178 1.00 0.00 C ATOM 0 H VAL A 27 8.500 3.435 0.111 1.00 0.00 H new ATOM 0 HA VAL A 27 10.752 2.228 1.233 1.00 0.00 H new ATOM 0 HB VAL A 27 8.834 1.197 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.510 -1.051 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.876 -0.146 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.726 -0.315 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.687 0.122 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.824 0.913 2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.701 1.895 1.170 1.00 0.00 H new ATOM 441 N ALA A 28 10.935 2.878 -2.004 1.00 0.00 N ATOM 442 CA ALA A 28 11.848 2.992 -3.135 1.00 0.00 C ATOM 443 C ALA A 28 13.072 3.818 -2.766 1.00 0.00 C ATOM 444 O ALA A 28 14.203 3.446 -3.084 1.00 0.00 O ATOM 445 CB ALA A 28 11.137 3.599 -4.336 1.00 0.00 C ATOM 0 H ALA A 28 9.996 3.233 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 28 12.184 1.990 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.834 3.676 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.298 2.964 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.769 4.592 -4.077 1.00 0.00 H new ATOM 451 N ARG A 29 12.843 4.930 -2.079 1.00 0.00 N ATOM 452 CA ARG A 29 13.931 5.800 -1.645 1.00 0.00 C ATOM 453 C ARG A 29 14.835 5.075 -0.654 1.00 0.00 C ATOM 454 O ARG A 29 16.060 5.118 -0.767 1.00 0.00 O ATOM 455 CB ARG A 29 13.367 7.071 -1.002 1.00 0.00 C ATOM 456 CG ARG A 29 14.434 8.072 -0.583 1.00 0.00 C ATOM 457 CD ARG A 29 15.186 8.621 -1.784 1.00 0.00 C ATOM 458 NE ARG A 29 14.307 9.369 -2.682 1.00 0.00 N ATOM 459 CZ ARG A 29 14.634 9.724 -3.922 1.00 0.00 C ATOM 460 NH1 ARG A 29 15.814 9.380 -4.430 1.00 0.00 N ATOM 461 NH2 ARG A 29 13.772 10.417 -4.655 1.00 0.00 N ATOM 0 H ARG A 29 11.913 5.252 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 29 14.521 6.074 -2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.687 7.552 -1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.778 6.794 -0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.969 8.893 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.136 7.593 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.993 9.270 -1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.648 7.799 -2.330 1.00 0.00 H new ATOM 0 HE ARG A 29 13.385 9.635 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.474 8.841 -3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.059 9.655 -5.381 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.864 10.675 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.017 10.692 -5.606 1.00 0.00 H new ATOM 475 N LEU A 30 14.222 4.392 0.300 1.00 0.00 N ATOM 476 CA LEU A 30 14.962 3.708 1.352 1.00 0.00 C ATOM 477 C LEU A 30 15.741 2.505 0.816 1.00 0.00 C ATOM 478 O LEU A 30 16.900 2.310 1.179 1.00 0.00 O ATOM 479 CB LEU A 30 14.019 3.270 2.475 1.00 0.00 C ATOM 480 CG LEU A 30 13.790 4.303 3.589 1.00 0.00 C ATOM 481 CD1 LEU A 30 13.236 5.605 3.034 1.00 0.00 C ATOM 482 CD2 LEU A 30 12.854 3.736 4.643 1.00 0.00 C ATOM 0 H LEU A 30 13.209 4.296 0.368 1.00 0.00 H new ATOM 0 HA LEU A 30 15.686 4.418 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.054 3.015 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.416 2.359 2.924 1.00 0.00 H new ATOM 0 HG LEU A 30 14.754 4.522 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.086 6.313 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.941 6.023 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.284 5.414 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.699 4.476 5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.897 3.487 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.294 2.837 5.074 1.00 0.00 H new ATOM 494 N LYS A 31 15.124 1.708 -0.051 1.00 0.00 N ATOM 495 CA LYS A 31 15.793 0.522 -0.581 1.00 0.00 C ATOM 496 C LYS A 31 16.891 0.911 -1.567 1.00 0.00 C ATOM 497 O LYS A 31 17.860 0.176 -1.747 1.00 0.00 O ATOM 498 CB LYS A 31 14.798 -0.454 -1.226 1.00 0.00 C ATOM 499 CG LYS A 31 14.074 0.083 -2.451 1.00 0.00 C ATOM 500 CD LYS A 31 13.098 -0.943 -3.010 1.00 0.00 C ATOM 501 CE LYS A 31 12.251 -0.365 -4.131 1.00 0.00 C ATOM 502 NZ LYS A 31 11.306 -1.368 -4.687 1.00 0.00 N ATOM 0 H LYS A 31 14.176 1.857 -0.398 1.00 0.00 H new ATOM 0 HA LYS A 31 16.255 0.006 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.332 -1.361 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.056 -0.739 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.536 0.994 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.801 0.352 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.651 -1.806 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.448 -1.300 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.691 0.493 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.901 0.000 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.747 -0.933 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.840 -2.175 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.668 -1.698 -3.935 1.00 0.00 H new ATOM 516 N LYS A 32 16.743 2.070 -2.198 1.00 0.00 N ATOM 517 CA LYS A 32 17.801 2.610 -3.041 1.00 0.00 C ATOM 518 C LYS A 32 18.955 3.091 -2.168 1.00 0.00 C ATOM 519 O LYS A 32 20.125 2.838 -2.467 1.00 0.00 O ATOM 520 CB LYS A 32 17.264 3.763 -3.894 1.00 0.00 C ATOM 521 CG LYS A 32 18.287 4.369 -4.848 1.00 0.00 C ATOM 522 CD LYS A 32 18.810 3.339 -5.840 1.00 0.00 C ATOM 523 CE LYS A 32 19.693 3.984 -6.900 1.00 0.00 C ATOM 524 NZ LYS A 32 20.273 2.977 -7.828 1.00 0.00 N ATOM 0 H LYS A 32 15.906 2.650 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 32 18.161 1.827 -3.708 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.413 3.405 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.893 4.546 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.833 5.198 -5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 32 19.119 4.779 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 32 19.377 2.575 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.971 2.836 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.108 4.707 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.498 4.536 -6.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.867 3.457 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 20.852 2.302 -7.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.506 2.467 -8.311 1.00 0.00 H new ATOM 538 N LEU A 33 18.607 3.760 -1.075 1.00 0.00 N ATOM 539 CA LEU A 33 19.588 4.277 -0.129 1.00 0.00 C ATOM 540 C LEU A 33 20.404 3.147 0.494 1.00 0.00 C ATOM 541 O LEU A 33 21.628 3.240 0.605 1.00 0.00 O ATOM 542 CB LEU A 33 18.878 5.076 0.969 1.00 0.00 C ATOM 543 CG LEU A 33 19.789 5.698 2.031 1.00 0.00 C ATOM 544 CD1 LEU A 33 20.674 6.771 1.418 1.00 0.00 C ATOM 545 CD2 LEU A 33 18.962 6.272 3.171 1.00 0.00 C ATOM 0 H LEU A 33 17.640 3.959 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 33 20.273 4.930 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 33 18.302 5.873 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.165 4.419 1.468 1.00 0.00 H new ATOM 0 HG LEU A 33 20.432 4.915 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.313 7.200 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 33 21.294 6.329 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 33 20.051 7.554 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 33 19.625 6.710 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 33 18.293 7.041 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.374 5.477 3.630 1.00 0.00 H new ATOM 557 N VAL A 34 19.722 2.082 0.908 1.00 0.00 N ATOM 558 CA VAL A 34 20.392 0.941 1.522 1.00 0.00 C ATOM 559 C VAL A 34 21.032 0.051 0.454 1.00 0.00 C ATOM 560 O VAL A 34 21.957 -0.711 0.738 1.00 0.00 O ATOM 561 CB VAL A 34 19.418 0.108 2.395 1.00 0.00 C ATOM 562 CG1 VAL A 34 18.406 -0.638 1.540 1.00 0.00 C ATOM 563 CG2 VAL A 34 20.181 -0.855 3.294 1.00 0.00 C ATOM 0 H VAL A 34 18.710 1.986 0.830 1.00 0.00 H new ATOM 0 HA VAL A 34 21.174 1.334 2.171 1.00 0.00 H new ATOM 0 HB VAL A 34 18.868 0.803 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.739 -1.212 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.824 0.077 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.929 -1.315 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.475 -1.427 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 34 20.770 -1.536 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 34 20.844 -0.292 3.950 1.00 0.00 H new ATOM 573 N GLY A 35 20.524 0.151 -0.773 1.00 0.00 N ATOM 574 CA GLY A 35 21.090 -0.600 -1.877 1.00 0.00 C ATOM 575 C GLY A 35 22.479 -0.115 -2.223 1.00 0.00 C ATOM 576 O GLY A 35 23.417 -0.913 -2.315 1.00 0.00 O ATOM 0 H GLY A 35 19.729 0.740 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.127 -1.658 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.444 -0.508 -2.750 1.00 0.00 H new ATOM 580 N GLU A 36 22.603 1.196 -2.413 1.00 0.00 N ATOM 581 CA GLU A 36 23.893 1.839 -2.653 1.00 0.00 C ATOM 582 C GLU A 36 24.543 1.405 -3.967 1.00 0.00 C ATOM 583 O GLU A 36 24.006 0.572 -4.706 1.00 0.00 O ATOM 584 CB GLU A 36 24.850 1.563 -1.489 1.00 0.00 C ATOM 585 CG GLU A 36 24.895 2.678 -0.465 1.00 0.00 C ATOM 586 CD GLU A 36 25.384 3.978 -1.065 1.00 0.00 C ATOM 587 OE1 GLU A 36 26.193 3.926 -2.017 1.00 0.00 O ATOM 588 OE2 GLU A 36 24.981 5.053 -0.586 1.00 0.00 O ATOM 0 H GLU A 36 21.814 1.842 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 36 23.695 2.908 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.551 0.639 -0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 36 25.853 1.403 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 36 23.900 2.824 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 36 25.550 2.389 0.357 1.00 0.00 H new ATOM 655 N SER B 4 -22.452 -11.953 -7.432 1.00 0.00 N ATOM 656 CA SER B 4 -21.347 -11.533 -8.269 1.00 0.00 C ATOM 657 C SER B 4 -20.702 -10.269 -7.718 1.00 0.00 C ATOM 658 O SER B 4 -19.546 -10.294 -7.320 1.00 0.00 O ATOM 659 CB SER B 4 -21.852 -11.310 -9.694 1.00 0.00 C ATOM 660 OG SER B 4 -22.577 -12.441 -10.152 1.00 0.00 O ATOM 0 HA SER B 4 -20.586 -12.313 -8.277 1.00 0.00 H new ATOM 0 HB2 SER B 4 -22.489 -10.426 -9.725 1.00 0.00 H new ATOM 0 HB3 SER B 4 -21.009 -11.119 -10.358 1.00 0.00 H new ATOM 0 HG SER B 4 -23.046 -12.856 -9.398 1.00 0.00 H new ATOM 666 N SER B 5 -21.478 -9.194 -7.647 1.00 0.00 N ATOM 667 CA SER B 5 -20.991 -7.912 -7.195 1.00 0.00 C ATOM 668 C SER B 5 -20.513 -8.005 -5.756 1.00 0.00 C ATOM 669 O SER B 5 -19.398 -7.617 -5.462 1.00 0.00 O ATOM 670 CB SER B 5 -22.102 -6.869 -7.321 1.00 0.00 C ATOM 671 OG SER B 5 -22.700 -6.923 -8.608 1.00 0.00 O ATOM 0 H SER B 5 -22.465 -9.195 -7.904 1.00 0.00 H new ATOM 0 HA SER B 5 -20.147 -7.611 -7.816 1.00 0.00 H new ATOM 0 HB2 SER B 5 -22.859 -7.043 -6.556 1.00 0.00 H new ATOM 0 HB3 SER B 5 -21.694 -5.873 -7.146 1.00 0.00 H new ATOM 0 HG SER B 5 -23.409 -6.249 -8.668 1.00 0.00 H new ATOM 677 N LEU B 6 -21.358 -8.574 -4.893 1.00 0.00 N ATOM 678 CA LEU B 6 -21.105 -8.652 -3.464 1.00 0.00 C ATOM 679 C LEU B 6 -19.718 -9.208 -3.187 1.00 0.00 C ATOM 680 O LEU B 6 -18.894 -8.527 -2.598 1.00 0.00 O ATOM 681 CB LEU B 6 -22.180 -9.528 -2.799 1.00 0.00 C ATOM 682 CG LEU B 6 -22.270 -9.463 -1.264 1.00 0.00 C ATOM 683 CD1 LEU B 6 -23.618 -9.985 -0.798 1.00 0.00 C ATOM 684 CD2 LEU B 6 -21.157 -10.272 -0.609 1.00 0.00 C ATOM 0 H LEU B 6 -22.243 -8.995 -5.175 1.00 0.00 H new ATOM 0 HA LEU B 6 -21.150 -7.647 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -23.150 -9.247 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -22.001 -10.564 -3.086 1.00 0.00 H new ATOM 0 HG LEU B 6 -22.158 -8.420 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -23.671 -9.935 0.290 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -24.413 -9.376 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -23.739 -11.019 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -21.249 -10.206 0.475 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -21.236 -11.315 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -20.189 -9.875 -0.916 1.00 0.00 H new ATOM 696 N GLU B 7 -19.461 -10.426 -3.650 1.00 0.00 N ATOM 697 CA GLU B 7 -18.224 -11.114 -3.358 1.00 0.00 C ATOM 698 C GLU B 7 -17.041 -10.365 -3.937 1.00 0.00 C ATOM 699 O GLU B 7 -16.038 -10.205 -3.265 1.00 0.00 O ATOM 700 CB GLU B 7 -18.269 -12.539 -3.904 1.00 0.00 C ATOM 701 CG GLU B 7 -19.369 -13.390 -3.287 1.00 0.00 C ATOM 702 CD GLU B 7 -19.463 -14.768 -3.911 1.00 0.00 C ATOM 703 OE1 GLU B 7 -18.759 -15.686 -3.445 1.00 0.00 O ATOM 704 OE2 GLU B 7 -20.249 -14.939 -4.866 1.00 0.00 O ATOM 0 H GLU B 7 -20.106 -10.957 -4.235 1.00 0.00 H new ATOM 0 HA GLU B 7 -18.104 -11.157 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -18.412 -12.502 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -17.306 -13.019 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -19.187 -13.492 -2.217 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -20.325 -12.879 -3.400 1.00 0.00 H new ATOM 711 N ALA B 8 -17.187 -9.874 -5.165 1.00 0.00 N ATOM 712 CA ALA B 8 -16.111 -9.204 -5.867 1.00 0.00 C ATOM 713 C ALA B 8 -15.613 -8.006 -5.080 1.00 0.00 C ATOM 714 O ALA B 8 -14.420 -7.869 -4.875 1.00 0.00 O ATOM 715 CB ALA B 8 -16.567 -8.779 -7.257 1.00 0.00 C ATOM 0 H ALA B 8 -18.056 -9.932 -5.696 1.00 0.00 H new ATOM 0 HA ALA B 8 -15.284 -9.906 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -15.747 -8.277 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -16.868 -9.659 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -17.412 -8.097 -7.170 1.00 0.00 H new ATOM 721 N VAL B 9 -16.541 -7.175 -4.608 1.00 0.00 N ATOM 722 CA VAL B 9 -16.204 -5.955 -3.899 1.00 0.00 C ATOM 723 C VAL B 9 -15.328 -6.249 -2.696 1.00 0.00 C ATOM 724 O VAL B 9 -14.322 -5.591 -2.503 1.00 0.00 O ATOM 725 CB VAL B 9 -17.470 -5.192 -3.438 1.00 0.00 C ATOM 726 CG1 VAL B 9 -17.098 -3.958 -2.624 1.00 0.00 C ATOM 727 CG2 VAL B 9 -18.322 -4.797 -4.636 1.00 0.00 C ATOM 0 H VAL B 9 -17.544 -7.333 -4.709 1.00 0.00 H new ATOM 0 HA VAL B 9 -15.655 -5.325 -4.599 1.00 0.00 H new ATOM 0 HB VAL B 9 -18.051 -5.859 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -18.005 -3.440 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -16.532 -4.260 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -16.490 -3.290 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -19.207 -4.262 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -17.743 -4.153 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -18.627 -5.693 -5.177 1.00 0.00 H new ATOM 737 N ARG B 10 -15.698 -7.270 -1.924 1.00 0.00 N ATOM 738 CA ARG B 10 -15.004 -7.604 -0.694 1.00 0.00 C ATOM 739 C ARG B 10 -13.547 -7.904 -0.974 1.00 0.00 C ATOM 740 O ARG B 10 -12.673 -7.306 -0.377 1.00 0.00 O ATOM 741 CB ARG B 10 -15.644 -8.815 -0.012 1.00 0.00 C ATOM 742 CG ARG B 10 -17.148 -8.705 0.181 1.00 0.00 C ATOM 743 CD ARG B 10 -17.674 -9.859 1.014 1.00 0.00 C ATOM 744 NE ARG B 10 -17.160 -11.146 0.546 1.00 0.00 N ATOM 745 CZ ARG B 10 -16.700 -12.099 1.356 1.00 0.00 C ATOM 746 NH1 ARG B 10 -16.719 -11.925 2.672 1.00 0.00 N ATOM 747 NH2 ARG B 10 -16.210 -13.220 0.846 1.00 0.00 N ATOM 0 H ARG B 10 -16.485 -7.883 -2.138 1.00 0.00 H new ATOM 0 HA ARG B 10 -15.079 -6.743 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -15.430 -9.705 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -15.175 -8.959 0.961 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -17.388 -7.760 0.669 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -17.643 -8.697 -0.790 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -17.392 -9.713 2.057 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -18.763 -9.867 0.976 1.00 0.00 H new ATOM 0 HE ARG B 10 -17.153 -11.324 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -17.087 -11.059 3.067 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -16.366 -12.657 3.288 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -16.185 -13.352 -0.165 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -15.858 -13.950 1.465 1.00 0.00 H new ATOM 761 N ARG B 11 -13.297 -8.801 -1.922 1.00 0.00 N ATOM 762 CA ARG B 11 -11.955 -9.249 -2.218 1.00 0.00 C ATOM 763 C ARG B 11 -11.105 -8.083 -2.679 1.00 0.00 C ATOM 764 O ARG B 11 -9.926 -8.030 -2.382 1.00 0.00 O ATOM 765 CB ARG B 11 -11.980 -10.352 -3.278 1.00 0.00 C ATOM 766 CG ARG B 11 -10.619 -10.970 -3.552 1.00 0.00 C ATOM 767 CD ARG B 11 -10.724 -12.133 -4.526 1.00 0.00 C ATOM 768 NE ARG B 11 -11.586 -13.203 -4.014 1.00 0.00 N ATOM 769 CZ ARG B 11 -12.231 -14.072 -4.792 1.00 0.00 C ATOM 770 NH1 ARG B 11 -12.111 -14.004 -6.113 1.00 0.00 N ATOM 771 NH2 ARG B 11 -13.007 -15.006 -4.251 1.00 0.00 N ATOM 0 H ARG B 11 -14.019 -9.231 -2.500 1.00 0.00 H new ATOM 0 HA ARG B 11 -11.515 -9.660 -1.309 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -12.667 -11.136 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -12.376 -9.942 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -9.949 -10.212 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -10.180 -11.316 -2.616 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -11.117 -11.775 -5.477 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -9.729 -12.532 -4.723 1.00 0.00 H new ATOM 0 HE ARG B 11 -11.699 -13.287 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -11.524 -13.285 -6.535 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -12.606 -14.671 -6.705 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -13.110 -15.059 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -13.499 -15.669 -4.849 1.00 0.00 H new ATOM 785 N LYS B 12 -11.724 -7.131 -3.365 1.00 0.00 N ATOM 786 CA LYS B 12 -11.018 -5.978 -3.873 1.00 0.00 C ATOM 787 C LYS B 12 -10.477 -5.148 -2.723 1.00 0.00 C ATOM 788 O LYS B 12 -9.279 -4.935 -2.631 1.00 0.00 O ATOM 789 CB LYS B 12 -11.932 -5.120 -4.751 1.00 0.00 C ATOM 790 CG LYS B 12 -11.184 -4.055 -5.533 1.00 0.00 C ATOM 791 CD LYS B 12 -10.256 -4.687 -6.553 1.00 0.00 C ATOM 792 CE LYS B 12 -9.306 -3.673 -7.163 1.00 0.00 C ATOM 793 NZ LYS B 12 -8.450 -4.288 -8.211 1.00 0.00 N ATOM 0 H LYS B 12 -12.721 -7.142 -3.580 1.00 0.00 H new ATOM 0 HA LYS B 12 -10.187 -6.330 -4.483 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -12.466 -5.766 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -12.682 -4.640 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -11.895 -3.401 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -10.609 -3.432 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -9.681 -5.481 -6.077 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -10.847 -5.151 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -9.878 -2.852 -7.595 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -8.677 -3.247 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -7.813 -3.567 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -7.887 -5.056 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -9.050 -4.672 -8.968 1.00 0.00 H new ATOM 807 N ILE B 13 -11.361 -4.722 -1.824 1.00 0.00 N ATOM 808 CA ILE B 13 -10.974 -3.855 -0.738 1.00 0.00 C ATOM 809 C ILE B 13 -10.113 -4.601 0.260 1.00 0.00 C ATOM 810 O ILE B 13 -9.291 -4.000 0.916 1.00 0.00 O ATOM 811 CB ILE B 13 -12.196 -3.194 -0.042 1.00 0.00 C ATOM 812 CG1 ILE B 13 -13.265 -4.224 0.345 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.800 -2.128 -0.944 1.00 0.00 C ATOM 814 CD1 ILE B 13 -13.058 -4.849 1.709 1.00 0.00 C ATOM 0 H ILE B 13 -12.350 -4.970 -1.835 1.00 0.00 H new ATOM 0 HA ILE B 13 -10.385 -3.045 -1.167 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.837 -2.732 0.878 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -14.243 -3.743 0.323 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -13.281 -5.014 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -13.655 -1.672 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -12.052 -1.363 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -13.125 -2.584 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -13.856 -5.565 1.906 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -12.096 -5.362 1.732 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -13.073 -4.071 2.472 1.00 0.00 H new ATOM 826 N ARG B 14 -10.288 -5.918 0.333 1.00 0.00 N ATOM 827 CA ARG B 14 -9.473 -6.767 1.179 1.00 0.00 C ATOM 828 C ARG B 14 -8.009 -6.586 0.829 1.00 0.00 C ATOM 829 O ARG B 14 -7.204 -6.280 1.691 1.00 0.00 O ATOM 830 CB ARG B 14 -9.873 -8.235 1.000 1.00 0.00 C ATOM 831 CG ARG B 14 -8.980 -9.214 1.747 1.00 0.00 C ATOM 832 CD ARG B 14 -9.078 -9.035 3.250 1.00 0.00 C ATOM 833 NE ARG B 14 -10.401 -9.397 3.752 1.00 0.00 N ATOM 834 CZ ARG B 14 -10.611 -10.060 4.886 1.00 0.00 C ATOM 835 NH1 ARG B 14 -9.588 -10.401 5.659 1.00 0.00 N ATOM 836 NH2 ARG B 14 -11.846 -10.377 5.249 1.00 0.00 N ATOM 0 H ARG B 14 -11.001 -6.421 -0.195 1.00 0.00 H new ATOM 0 HA ARG B 14 -9.632 -6.484 2.220 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -10.901 -8.365 1.339 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -9.854 -8.479 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -9.260 -10.234 1.484 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -7.946 -9.076 1.432 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -8.322 -9.649 3.740 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -8.862 -7.998 3.508 1.00 0.00 H new ATOM 0 HE ARG B 14 -11.214 -9.125 3.199 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -8.637 -10.155 5.384 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -9.753 -10.909 6.528 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -12.635 -10.113 4.659 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -12.007 -10.885 6.118 1.00 0.00 H new ATOM 850 N SER B 15 -7.700 -6.742 -0.452 1.00 0.00 N ATOM 851 CA SER B 15 -6.349 -6.637 -0.950 1.00 0.00 C ATOM 852 C SER B 15 -5.757 -5.287 -0.586 1.00 0.00 C ATOM 853 O SER B 15 -4.640 -5.217 -0.104 1.00 0.00 O ATOM 854 CB SER B 15 -6.344 -6.835 -2.469 1.00 0.00 C ATOM 855 OG SER B 15 -7.022 -8.032 -2.826 1.00 0.00 O ATOM 0 H SER B 15 -8.391 -6.946 -1.174 1.00 0.00 H new ATOM 0 HA SER B 15 -5.736 -7.413 -0.491 1.00 0.00 H new ATOM 0 HB2 SER B 15 -6.822 -5.983 -2.952 1.00 0.00 H new ATOM 0 HB3 SER B 15 -5.317 -6.872 -2.832 1.00 0.00 H new ATOM 0 HG SER B 15 -7.990 -7.882 -2.792 1.00 0.00 H new ATOM 861 N LEU B 16 -6.539 -4.228 -0.769 1.00 0.00 N ATOM 862 CA LEU B 16 -6.092 -2.879 -0.502 1.00 0.00 C ATOM 863 C LEU B 16 -5.743 -2.713 0.966 1.00 0.00 C ATOM 864 O LEU B 16 -4.657 -2.269 1.284 1.00 0.00 O ATOM 865 CB LEU B 16 -7.169 -1.866 -0.898 1.00 0.00 C ATOM 866 CG LEU B 16 -7.553 -1.869 -2.380 1.00 0.00 C ATOM 867 CD1 LEU B 16 -8.650 -0.852 -2.647 1.00 0.00 C ATOM 868 CD2 LEU B 16 -6.336 -1.581 -3.245 1.00 0.00 C ATOM 0 H LEU B 16 -7.500 -4.288 -1.107 1.00 0.00 H new ATOM 0 HA LEU B 16 -5.199 -2.694 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -8.064 -2.061 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.822 -0.868 -0.631 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.931 -2.858 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.911 -0.867 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -9.529 -1.101 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -8.298 0.143 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.627 -1.587 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.929 -0.603 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.579 -2.346 -3.074 1.00 0.00 H new ATOM 880 N GLN B 17 -6.661 -3.111 1.849 1.00 0.00 N ATOM 881 CA GLN B 17 -6.486 -2.945 3.282 1.00 0.00 C ATOM 882 C GLN B 17 -5.195 -3.588 3.753 1.00 0.00 C ATOM 883 O GLN B 17 -4.357 -2.922 4.331 1.00 0.00 O ATOM 884 CB GLN B 17 -7.659 -3.552 4.055 1.00 0.00 C ATOM 885 CG GLN B 17 -8.980 -2.833 3.850 1.00 0.00 C ATOM 886 CD GLN B 17 -10.099 -3.444 4.674 1.00 0.00 C ATOM 887 OE1 GLN B 17 -9.863 -3.983 5.758 1.00 0.00 O ATOM 888 NE2 GLN B 17 -11.322 -3.364 4.174 1.00 0.00 N ATOM 0 H GLN B 17 -7.541 -3.555 1.586 1.00 0.00 H new ATOM 0 HA GLN B 17 -6.445 -1.873 3.478 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -7.775 -4.594 3.757 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -7.419 -3.550 5.118 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -8.865 -1.783 4.118 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -9.249 -2.865 2.794 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -11.476 -2.910 3.274 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -12.110 -3.756 4.689 1.00 0.00 H new ATOM 897 N GLU B 18 -5.031 -4.872 3.457 1.00 0.00 N ATOM 898 CA GLU B 18 -3.932 -5.647 3.985 1.00 0.00 C ATOM 899 C GLU B 18 -2.607 -5.134 3.458 1.00 0.00 C ATOM 900 O GLU B 18 -1.622 -5.175 4.169 1.00 0.00 O ATOM 901 CB GLU B 18 -4.103 -7.125 3.634 1.00 0.00 C ATOM 902 CG GLU B 18 -3.150 -8.038 4.386 1.00 0.00 C ATOM 903 CD GLU B 18 -3.235 -9.477 3.930 1.00 0.00 C ATOM 904 OE1 GLU B 18 -4.217 -10.159 4.279 1.00 0.00 O ATOM 905 OE2 GLU B 18 -2.308 -9.936 3.229 1.00 0.00 O ATOM 0 H GLU B 18 -5.657 -5.397 2.846 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.934 -5.541 5.070 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -5.128 -7.426 3.849 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -3.951 -7.256 2.563 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.129 -7.679 4.253 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.370 -7.986 5.452 1.00 0.00 H new ATOM 912 N GLN B 19 -2.605 -4.624 2.228 1.00 0.00 N ATOM 913 CA GLN B 19 -1.396 -4.152 1.581 1.00 0.00 C ATOM 914 C GLN B 19 -0.679 -3.144 2.457 1.00 0.00 C ATOM 915 O GLN B 19 0.535 -3.178 2.541 1.00 0.00 O ATOM 916 CB GLN B 19 -1.714 -3.537 0.213 1.00 0.00 C ATOM 917 CG GLN B 19 -0.487 -3.049 -0.549 1.00 0.00 C ATOM 918 CD GLN B 19 0.531 -4.149 -0.799 1.00 0.00 C ATOM 919 OE1 GLN B 19 0.473 -4.847 -1.810 1.00 0.00 O ATOM 920 NE2 GLN B 19 1.470 -4.308 0.119 1.00 0.00 N ATOM 0 H GLN B 19 -3.445 -4.529 1.657 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.739 -5.008 1.429 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -2.235 -4.277 -0.394 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -2.398 -2.700 0.353 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -0.802 -2.629 -1.504 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -0.013 -2.244 0.013 1.00 0.00 H new ATOM 0 HE21 GLN B 19 1.484 -3.708 0.944 1.00 0.00 H new ATOM 0 HE22 GLN B 19 2.181 -5.030 0.002 1.00 0.00 H new ATOM 929 N ASN B 20 -1.442 -2.282 3.130 1.00 0.00 N ATOM 930 CA ASN B 20 -0.886 -1.265 4.012 1.00 0.00 C ATOM 931 C ASN B 20 0.082 -1.879 5.001 1.00 0.00 C ATOM 932 O ASN B 20 1.248 -1.526 5.008 1.00 0.00 O ATOM 933 CB ASN B 20 -1.995 -0.533 4.776 1.00 0.00 C ATOM 934 CG ASN B 20 -2.873 0.316 3.878 1.00 0.00 C ATOM 935 OD1 ASN B 20 -2.579 1.482 3.626 1.00 0.00 O ATOM 936 ND2 ASN B 20 -3.968 -0.254 3.403 1.00 0.00 N ATOM 0 H ASN B 20 -2.461 -2.272 3.077 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.353 -0.548 3.387 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.615 -1.264 5.294 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -1.545 0.101 5.539 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -4.601 0.277 2.806 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.179 -1.225 3.634 1.00 0.00 H new ATOM 943 N TYR B 21 -0.403 -2.842 5.783 1.00 0.00 N ATOM 944 CA TYR B 21 0.370 -3.450 6.848 1.00 0.00 C ATOM 945 C TYR B 21 1.663 -4.030 6.321 1.00 0.00 C ATOM 946 O TYR B 21 2.693 -3.850 6.937 1.00 0.00 O ATOM 947 CB TYR B 21 -0.445 -4.535 7.555 1.00 0.00 C ATOM 948 CG TYR B 21 -1.577 -3.988 8.384 1.00 0.00 C ATOM 949 CD1 TYR B 21 -2.838 -3.795 7.837 1.00 0.00 C ATOM 950 CD2 TYR B 21 -1.383 -3.666 9.720 1.00 0.00 C ATOM 951 CE1 TYR B 21 -3.876 -3.295 8.599 1.00 0.00 C ATOM 952 CE2 TYR B 21 -2.414 -3.168 10.490 1.00 0.00 C ATOM 953 CZ TYR B 21 -3.657 -2.982 9.927 1.00 0.00 C ATOM 954 OH TYR B 21 -4.685 -2.482 10.694 1.00 0.00 O ATOM 0 H TYR B 21 -1.346 -3.219 5.690 1.00 0.00 H new ATOM 0 HA TYR B 21 0.614 -2.669 7.568 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -0.849 -5.220 6.809 1.00 0.00 H new ATOM 0 HB3 TYR B 21 0.217 -5.117 8.196 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -3.010 -4.040 6.799 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -0.409 -3.808 10.164 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -4.852 -3.150 8.160 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -2.247 -2.925 11.529 1.00 0.00 H new ATOM 0 HH TYR B 21 -4.363 -2.316 11.605 1.00 0.00 H new ATOM 964 N HIS B 22 1.601 -4.688 5.167 1.00 0.00 N ATOM 965 CA HIS B 22 2.778 -5.288 4.564 1.00 0.00 C ATOM 966 C HIS B 22 3.860 -4.244 4.387 1.00 0.00 C ATOM 967 O HIS B 22 4.983 -4.447 4.807 1.00 0.00 O ATOM 968 CB HIS B 22 2.442 -5.925 3.211 1.00 0.00 C ATOM 969 CG HIS B 22 1.641 -7.189 3.313 1.00 0.00 C ATOM 970 ND1 HIS B 22 2.218 -8.427 3.478 1.00 0.00 N ATOM 971 CD2 HIS B 22 0.303 -7.404 3.268 1.00 0.00 C ATOM 972 CE1 HIS B 22 1.275 -9.351 3.530 1.00 0.00 C ATOM 973 NE2 HIS B 22 0.105 -8.756 3.404 1.00 0.00 N ATOM 0 H HIS B 22 0.742 -4.817 4.632 1.00 0.00 H new ATOM 0 HA HIS B 22 3.137 -6.072 5.231 1.00 0.00 H new ATOM 0 HB2 HIS B 22 1.889 -5.204 2.609 1.00 0.00 H new ATOM 0 HB3 HIS B 22 3.370 -6.137 2.681 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -0.463 -6.653 3.148 1.00 0.00 H new ATOM 0 HE1 HIS B 22 1.435 -10.412 3.654 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -0.801 -9.224 3.407 1.00 0.00 H new ATOM 982 N LEU B 23 3.486 -3.107 3.812 1.00 0.00 N ATOM 983 CA LEU B 23 4.419 -2.034 3.547 1.00 0.00 C ATOM 984 C LEU B 23 4.882 -1.413 4.849 1.00 0.00 C ATOM 985 O LEU B 23 6.070 -1.328 5.093 1.00 0.00 O ATOM 986 CB LEU B 23 3.777 -0.971 2.649 1.00 0.00 C ATOM 987 CG LEU B 23 3.340 -1.467 1.269 1.00 0.00 C ATOM 988 CD1 LEU B 23 2.657 -0.347 0.498 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.534 -2.000 0.485 1.00 0.00 C ATOM 0 H LEU B 23 2.529 -2.909 3.520 1.00 0.00 H new ATOM 0 HA LEU B 23 5.283 -2.446 3.026 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.908 -0.560 3.163 1.00 0.00 H new ATOM 0 HB3 LEU B 23 4.485 -0.153 2.517 1.00 0.00 H new ATOM 0 HG LEU B 23 2.629 -2.282 1.406 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.351 -0.714 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU B 23 1.779 -0.009 1.049 1.00 0.00 H new ATOM 0 HD13 LEU B 23 3.350 0.485 0.374 1.00 0.00 H new ATOM 0 HD21 LEU B 23 4.201 -2.348 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU B 23 5.269 -1.206 0.357 1.00 0.00 H new ATOM 0 HD23 LEU B 23 4.986 -2.829 1.030 1.00 0.00 H new ATOM 1001 N GLU B 24 3.924 -1.036 5.692 1.00 0.00 N ATOM 1002 CA GLU B 24 4.201 -0.357 6.943 1.00 0.00 C ATOM 1003 C GLU B 24 5.208 -1.129 7.776 1.00 0.00 C ATOM 1004 O GLU B 24 6.186 -0.563 8.229 1.00 0.00 O ATOM 1005 CB GLU B 24 2.908 -0.154 7.737 1.00 0.00 C ATOM 1006 CG GLU B 24 1.907 0.765 7.049 1.00 0.00 C ATOM 1007 CD GLU B 24 0.623 0.930 7.839 1.00 0.00 C ATOM 1008 OE1 GLU B 24 0.563 1.837 8.697 1.00 0.00 O ATOM 1009 OE2 GLU B 24 -0.333 0.167 7.599 1.00 0.00 O ATOM 0 H GLU B 24 2.931 -1.196 5.521 1.00 0.00 H new ATOM 0 HA GLU B 24 4.630 0.617 6.707 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.440 -1.124 7.908 1.00 0.00 H new ATOM 0 HB3 GLU B 24 3.154 0.258 8.716 1.00 0.00 H new ATOM 0 HG2 GLU B 24 2.363 1.743 6.897 1.00 0.00 H new ATOM 0 HG3 GLU B 24 1.673 0.366 6.062 1.00 0.00 H new ATOM 1016 N ASN B 25 4.979 -2.425 7.934 1.00 0.00 N ATOM 1017 CA ASN B 25 5.844 -3.263 8.741 1.00 0.00 C ATOM 1018 C ASN B 25 7.230 -3.335 8.140 1.00 0.00 C ATOM 1019 O ASN B 25 8.204 -3.082 8.825 1.00 0.00 O ATOM 1020 CB ASN B 25 5.269 -4.678 8.876 1.00 0.00 C ATOM 1021 CG ASN B 25 4.211 -4.778 9.954 1.00 0.00 C ATOM 1022 OD1 ASN B 25 4.510 -5.085 11.106 1.00 0.00 O ATOM 1023 ND2 ASN B 25 2.963 -4.531 9.590 1.00 0.00 N ATOM 0 H ASN B 25 4.194 -2.919 7.509 1.00 0.00 H new ATOM 0 HA ASN B 25 5.907 -2.814 9.732 1.00 0.00 H new ATOM 0 HB2 ASN B 25 4.840 -4.984 7.922 1.00 0.00 H new ATOM 0 HB3 ASN B 25 6.077 -5.374 9.100 1.00 0.00 H new ATOM 0 HD21 ASN B 25 2.210 -4.593 10.275 1.00 0.00 H new ATOM 0 HD22 ASN B 25 2.754 -4.279 8.624 1.00 0.00 H new ATOM 1030 N GLU B 26 7.305 -3.637 6.852 1.00 0.00 N ATOM 1031 CA GLU B 26 8.569 -3.887 6.202 1.00 0.00 C ATOM 1032 C GLU B 26 9.392 -2.619 6.120 1.00 0.00 C ATOM 1033 O GLU B 26 10.575 -2.650 6.408 1.00 0.00 O ATOM 1034 CB GLU B 26 8.350 -4.478 4.809 1.00 0.00 C ATOM 1035 CG GLU B 26 9.600 -5.114 4.219 1.00 0.00 C ATOM 1036 CD GLU B 26 10.197 -6.168 5.131 1.00 0.00 C ATOM 1037 OE1 GLU B 26 9.441 -7.035 5.620 1.00 0.00 O ATOM 1038 OE2 GLU B 26 11.427 -6.143 5.353 1.00 0.00 O ATOM 0 H GLU B 26 6.494 -3.714 6.238 1.00 0.00 H new ATOM 0 HA GLU B 26 9.121 -4.612 6.800 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.560 -5.227 4.860 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.001 -3.692 4.140 1.00 0.00 H new ATOM 0 HG2 GLU B 26 9.356 -5.565 3.257 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.343 -4.340 4.028 1.00 0.00 H new ATOM 1045 N VAL B 27 8.760 -1.502 5.770 1.00 0.00 N ATOM 1046 CA VAL B 27 9.471 -0.255 5.605 1.00 0.00 C ATOM 1047 C VAL B 27 10.051 0.185 6.934 1.00 0.00 C ATOM 1048 O VAL B 27 11.129 0.729 6.968 1.00 0.00 O ATOM 1049 CB VAL B 27 8.581 0.870 5.004 1.00 0.00 C ATOM 1050 CG1 VAL B 27 7.488 1.310 5.968 1.00 0.00 C ATOM 1051 CG2 VAL B 27 9.430 2.062 4.583 1.00 0.00 C ATOM 0 H VAL B 27 7.756 -1.443 5.597 1.00 0.00 H new ATOM 0 HA VAL B 27 10.275 -0.433 4.891 1.00 0.00 H new ATOM 0 HB VAL B 27 8.092 0.456 4.122 1.00 0.00 H new ATOM 0 HG11 VAL B 27 6.891 2.097 5.507 1.00 0.00 H new ATOM 0 HG12 VAL B 27 6.848 0.460 6.205 1.00 0.00 H new ATOM 0 HG13 VAL B 27 7.942 1.689 6.884 1.00 0.00 H new ATOM 0 HG21 VAL B 27 8.787 2.837 4.165 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.958 2.457 5.451 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.153 1.746 3.831 1.00 0.00 H new ATOM 1061 N ALA B 28 9.347 -0.115 8.026 1.00 0.00 N ATOM 1062 CA ALA B 28 9.801 0.236 9.352 1.00 0.00 C ATOM 1063 C ALA B 28 11.100 -0.476 9.656 1.00 0.00 C ATOM 1064 O ALA B 28 12.024 0.123 10.171 1.00 0.00 O ATOM 1065 CB ALA B 28 8.744 -0.116 10.389 1.00 0.00 C ATOM 0 H ALA B 28 8.453 -0.605 8.006 1.00 0.00 H new ATOM 0 HA ALA B 28 9.971 1.312 9.392 1.00 0.00 H new ATOM 0 HB1 ALA B 28 9.103 0.155 11.382 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.826 0.431 10.173 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.544 -1.187 10.356 1.00 0.00 H new ATOM 1071 N ARG B 29 11.163 -1.752 9.289 1.00 0.00 N ATOM 1072 CA ARG B 29 12.345 -2.563 9.506 1.00 0.00 C ATOM 1073 C ARG B 29 13.499 -1.983 8.717 1.00 0.00 C ATOM 1074 O ARG B 29 14.546 -1.709 9.270 1.00 0.00 O ATOM 1075 CB ARG B 29 12.091 -4.011 9.075 1.00 0.00 C ATOM 1076 CG ARG B 29 10.836 -4.615 9.681 1.00 0.00 C ATOM 1077 CD ARG B 29 10.911 -4.663 11.198 1.00 0.00 C ATOM 1078 NE ARG B 29 9.628 -5.023 11.795 1.00 0.00 N ATOM 1079 CZ ARG B 29 9.309 -6.247 12.207 1.00 0.00 C ATOM 1080 NH1 ARG B 29 10.175 -7.244 12.075 1.00 0.00 N ATOM 1081 NH2 ARG B 29 8.120 -6.464 12.750 1.00 0.00 N ATOM 0 H ARG B 29 10.396 -2.247 8.834 1.00 0.00 H new ATOM 0 HA ARG B 29 12.589 -2.560 10.568 1.00 0.00 H new ATOM 0 HB2 ARG B 29 12.014 -4.050 7.988 1.00 0.00 H new ATOM 0 HB3 ARG B 29 12.950 -4.621 9.356 1.00 0.00 H new ATOM 0 HG2 ARG B 29 9.968 -4.030 9.378 1.00 0.00 H new ATOM 0 HG3 ARG B 29 10.693 -5.623 9.292 1.00 0.00 H new ATOM 0 HD2 ARG B 29 11.668 -5.386 11.501 1.00 0.00 H new ATOM 0 HD3 ARG B 29 11.228 -3.691 11.577 1.00 0.00 H new ATOM 0 HE ARG B 29 8.930 -4.287 11.903 1.00 0.00 H new ATOM 0 HH11 ARG B 29 11.089 -7.073 11.656 1.00 0.00 H new ATOM 0 HH12 ARG B 29 9.926 -8.181 12.392 1.00 0.00 H new ATOM 0 HH21 ARG B 29 7.457 -5.695 12.850 1.00 0.00 H new ATOM 0 HH22 ARG B 29 7.868 -7.400 13.068 1.00 0.00 H new ATOM 1095 N LEU B 30 13.265 -1.755 7.431 1.00 0.00 N ATOM 1096 CA LEU B 30 14.271 -1.228 6.536 1.00 0.00 C ATOM 1097 C LEU B 30 14.757 0.119 7.035 1.00 0.00 C ATOM 1098 O LEU B 30 15.950 0.325 7.169 1.00 0.00 O ATOM 1099 CB LEU B 30 13.695 -1.092 5.124 1.00 0.00 C ATOM 1100 CG LEU B 30 14.680 -0.622 4.054 1.00 0.00 C ATOM 1101 CD1 LEU B 30 15.823 -1.615 3.907 1.00 0.00 C ATOM 1102 CD2 LEU B 30 13.965 -0.430 2.726 1.00 0.00 C ATOM 0 H LEU B 30 12.366 -1.933 6.983 1.00 0.00 H new ATOM 0 HA LEU B 30 15.116 -1.916 6.507 1.00 0.00 H new ATOM 0 HB2 LEU B 30 13.290 -2.058 4.821 1.00 0.00 H new ATOM 0 HB3 LEU B 30 12.860 -0.392 5.157 1.00 0.00 H new ATOM 0 HG LEU B 30 15.097 0.336 4.364 1.00 0.00 H new ATOM 0 HD11 LEU B 30 16.514 -1.264 3.141 1.00 0.00 H new ATOM 0 HD12 LEU B 30 16.350 -1.706 4.857 1.00 0.00 H new ATOM 0 HD13 LEU B 30 15.425 -2.588 3.618 1.00 0.00 H new ATOM 0 HD21 LEU B 30 14.679 -0.095 1.973 1.00 0.00 H new ATOM 0 HD22 LEU B 30 13.522 -1.375 2.411 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.180 0.318 2.840 1.00 0.00 H new ATOM 1114 N LYS B 31 13.811 0.998 7.344 1.00 0.00 N ATOM 1115 CA LYS B 31 14.096 2.345 7.794 1.00 0.00 C ATOM 1116 C LYS B 31 15.038 2.324 8.980 1.00 0.00 C ATOM 1117 O LYS B 31 16.051 2.992 8.965 1.00 0.00 O ATOM 1118 CB LYS B 31 12.790 3.047 8.174 1.00 0.00 C ATOM 1119 CG LYS B 31 12.930 4.540 8.411 1.00 0.00 C ATOM 1120 CD LYS B 31 11.581 5.167 8.713 1.00 0.00 C ATOM 1121 CE LYS B 31 11.661 6.682 8.758 1.00 0.00 C ATOM 1122 NZ LYS B 31 10.330 7.294 9.002 1.00 0.00 N ATOM 0 H LYS B 31 12.815 0.788 7.287 1.00 0.00 H new ATOM 0 HA LYS B 31 14.578 2.891 6.983 1.00 0.00 H new ATOM 0 HB2 LYS B 31 12.059 2.884 7.382 1.00 0.00 H new ATOM 0 HB3 LYS B 31 12.391 2.583 9.076 1.00 0.00 H new ATOM 0 HG2 LYS B 31 13.613 4.718 9.242 1.00 0.00 H new ATOM 0 HG3 LYS B 31 13.367 5.013 7.532 1.00 0.00 H new ATOM 0 HD2 LYS B 31 10.861 4.863 7.953 1.00 0.00 H new ATOM 0 HD3 LYS B 31 11.213 4.794 9.669 1.00 0.00 H new ATOM 0 HE2 LYS B 31 12.352 6.987 9.544 1.00 0.00 H new ATOM 0 HE3 LYS B 31 12.066 7.053 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 10.423 8.330 9.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 9.678 7.023 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 9.955 6.959 9.912 1.00 0.00 H new ATOM 1136 N LYS B 32 14.706 1.529 9.988 1.00 0.00 N ATOM 1137 CA LYS B 32 15.514 1.462 11.200 1.00 0.00 C ATOM 1138 C LYS B 32 16.844 0.749 10.956 1.00 0.00 C ATOM 1139 O LYS B 32 17.880 1.160 11.484 1.00 0.00 O ATOM 1140 CB LYS B 32 14.734 0.763 12.314 1.00 0.00 C ATOM 1141 CG LYS B 32 15.545 0.526 13.578 1.00 0.00 C ATOM 1142 CD LYS B 32 14.659 0.122 14.742 1.00 0.00 C ATOM 1143 CE LYS B 32 13.745 1.263 15.157 1.00 0.00 C ATOM 1144 NZ LYS B 32 14.510 2.455 15.614 1.00 0.00 N ATOM 0 H LYS B 32 13.886 0.923 9.992 1.00 0.00 H new ATOM 0 HA LYS B 32 15.740 2.484 11.505 1.00 0.00 H new ATOM 0 HB2 LYS B 32 13.859 1.363 12.563 1.00 0.00 H new ATOM 0 HB3 LYS B 32 14.369 -0.195 11.943 1.00 0.00 H new ATOM 0 HG2 LYS B 32 16.285 -0.253 13.396 1.00 0.00 H new ATOM 0 HG3 LYS B 32 16.093 1.432 13.835 1.00 0.00 H new ATOM 0 HD2 LYS B 32 14.060 -0.745 14.463 1.00 0.00 H new ATOM 0 HD3 LYS B 32 15.278 -0.178 15.587 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.109 1.541 14.317 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.086 0.927 15.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 13.881 3.087 16.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.295 2.151 16.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.890 2.961 14.789 1.00 0.00 H new ATOM 1158 N LEU B 33 16.808 -0.305 10.149 1.00 0.00 N ATOM 1159 CA LEU B 33 17.995 -1.109 9.876 1.00 0.00 C ATOM 1160 C LEU B 33 19.091 -0.269 9.227 1.00 0.00 C ATOM 1161 O LEU B 33 20.266 -0.387 9.579 1.00 0.00 O ATOM 1162 CB LEU B 33 17.641 -2.295 8.973 1.00 0.00 C ATOM 1163 CG LEU B 33 18.789 -3.267 8.695 1.00 0.00 C ATOM 1164 CD1 LEU B 33 19.270 -3.912 9.988 1.00 0.00 C ATOM 1165 CD2 LEU B 33 18.354 -4.329 7.700 1.00 0.00 C ATOM 0 H LEU B 33 15.966 -0.624 9.670 1.00 0.00 H new ATOM 0 HA LEU B 33 18.370 -1.485 10.828 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.821 -2.848 9.431 1.00 0.00 H new ATOM 0 HB3 LEU B 33 17.274 -1.910 8.022 1.00 0.00 H new ATOM 0 HG LEU B 33 19.618 -2.707 8.263 1.00 0.00 H new ATOM 0 HD11 LEU B 33 20.087 -4.600 9.770 1.00 0.00 H new ATOM 0 HD12 LEU B 33 19.620 -3.139 10.672 1.00 0.00 H new ATOM 0 HD13 LEU B 33 18.448 -4.459 10.449 1.00 0.00 H new ATOM 0 HD21 LEU B 33 19.182 -5.013 7.513 1.00 0.00 H new ATOM 0 HD22 LEU B 33 17.509 -4.885 8.107 1.00 0.00 H new ATOM 0 HD23 LEU B 33 18.058 -3.853 6.765 1.00 0.00 H new ATOM 1177 N VAL B 34 18.714 0.569 8.272 1.00 0.00 N ATOM 1178 CA VAL B 34 19.675 1.451 7.619 1.00 0.00 C ATOM 1179 C VAL B 34 19.844 2.745 8.418 1.00 0.00 C ATOM 1180 O VAL B 34 20.851 3.444 8.294 1.00 0.00 O ATOM 1181 CB VAL B 34 19.251 1.779 6.165 1.00 0.00 C ATOM 1182 CG1 VAL B 34 17.978 2.615 6.133 1.00 0.00 C ATOM 1183 CG2 VAL B 34 20.376 2.478 5.408 1.00 0.00 C ATOM 0 H VAL B 34 17.756 0.658 7.933 1.00 0.00 H new ATOM 0 HA VAL B 34 20.629 0.925 7.582 1.00 0.00 H new ATOM 0 HB VAL B 34 19.043 0.833 5.664 1.00 0.00 H new ATOM 0 HG11 VAL B 34 17.708 2.828 5.099 1.00 0.00 H new ATOM 0 HG12 VAL B 34 17.169 2.065 6.613 1.00 0.00 H new ATOM 0 HG13 VAL B 34 18.145 3.552 6.664 1.00 0.00 H new ATOM 0 HG21 VAL B 34 20.050 2.696 4.391 1.00 0.00 H new ATOM 0 HG22 VAL B 34 20.632 3.409 5.914 1.00 0.00 H new ATOM 0 HG23 VAL B 34 21.252 1.829 5.377 1.00 0.00 H new ATOM 1193 N GLY B 35 18.864 3.035 9.263 1.00 0.00 N ATOM 1194 CA GLY B 35 18.833 4.302 9.963 1.00 0.00 C ATOM 1195 C GLY B 35 19.729 4.352 11.185 1.00 0.00 C ATOM 1196 O GLY B 35 20.800 4.960 11.145 1.00 0.00 O ATOM 0 H GLY B 35 18.086 2.411 9.476 1.00 0.00 H new ATOM 0 HA2 GLY B 35 19.130 5.093 9.275 1.00 0.00 H new ATOM 0 HA3 GLY B 35 17.808 4.512 10.268 1.00 0.00 H new