USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 53 HIS : no HD1:sc= -7.61! C(o=-12!,f=-8.2!) USER MOD Set 1.2: A 57 ASN : amide:sc= -4.34! C(o=-12!,f=-11!) USER MOD Set 2.1: A 29 ASN : amide:sc= -3.14! K(o=-5.1!,f=-1.4) USER MOD Set 2.2: A 33 SER OG : rot -105:sc= 1.04 USER MOD Set 2.3: A 36 GLN : amide:sc= -2.97! C(o=-5.1!,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0161 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.081 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 18 GLN : amide:sc= -0.581 K(o=-0.58,f=-3.3!) USER MOD Single : A 24 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.4!) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.4 USER MOD Single : A 30 ASN : amide:sc= -1.29 K(o=-1.3,f=0.19) USER MOD Single : A 31 SER OG : rot 180:sc= -0.897 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -120:sc= -3.99! (180deg=-8.07!) USER MOD Single : A 43 LYS NZ :NH3+ -121:sc= -2.66! (180deg=-4.97!) USER MOD Single : A 44 SER OG : rot -64:sc= 0.11 USER MOD Single : A 48 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.32) USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= -0.191 (180deg=-1.53!) USER MOD Single : A 52 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.00184) USER MOD Single : A 58 THR OG1 : rot 77:sc= 1.13 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 4:sc= 0.695 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0682 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.679 -18.005 -20.139 1.00 0.00 N ATOM 2 CA GLY A 1 1.780 -17.164 -20.908 1.00 0.00 C ATOM 3 C GLY A 1 1.461 -15.860 -20.203 1.00 0.00 C ATOM 4 O GLY A 1 2.300 -15.312 -19.488 1.00 0.00 O ATOM 0 H1 GLY A 1 3.346 -18.479 -20.781 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.208 -17.419 -19.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.128 -18.720 -19.622 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.229 -16.949 -21.878 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.854 -17.706 -21.099 1.00 0.00 H new ATOM 8 N SER A 2 0.246 -15.362 -20.405 1.00 0.00 N ATOM 9 CA SER A 2 -0.180 -14.111 -19.788 1.00 0.00 C ATOM 10 C SER A 2 -1.698 -14.067 -19.641 1.00 0.00 C ATOM 11 O SER A 2 -2.427 -14.653 -20.441 1.00 0.00 O ATOM 12 CB SER A 2 0.298 -12.919 -20.618 1.00 0.00 C ATOM 13 OG SER A 2 1.712 -12.899 -20.715 1.00 0.00 O ATOM 0 H SER A 2 -0.461 -15.805 -20.991 1.00 0.00 H new ATOM 0 HA SER A 2 0.266 -14.055 -18.795 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.137 -12.969 -21.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.052 -11.992 -20.164 1.00 0.00 H new ATOM 0 HG SER A 2 1.992 -12.128 -21.252 1.00 0.00 H new ATOM 19 N SER A 3 -2.167 -13.369 -18.612 1.00 0.00 N ATOM 20 CA SER A 3 -3.597 -13.250 -18.356 1.00 0.00 C ATOM 21 C SER A 3 -4.238 -12.245 -19.308 1.00 0.00 C ATOM 22 O SER A 3 -3.771 -11.114 -19.440 1.00 0.00 O ATOM 23 CB SER A 3 -3.845 -12.827 -16.907 1.00 0.00 C ATOM 24 OG SER A 3 -5.161 -13.157 -16.497 1.00 0.00 O ATOM 0 H SER A 3 -1.577 -12.877 -17.941 1.00 0.00 H new ATOM 0 HA SER A 3 -4.053 -14.226 -18.525 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.124 -13.317 -16.253 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.688 -11.753 -16.807 1.00 0.00 H new ATOM 0 HG SER A 3 -5.294 -12.878 -15.567 1.00 0.00 H new ATOM 30 N GLY A 4 -5.312 -12.666 -19.969 1.00 0.00 N ATOM 31 CA GLY A 4 -6.000 -11.791 -20.900 1.00 0.00 C ATOM 32 C GLY A 4 -5.964 -12.315 -22.322 1.00 0.00 C ATOM 33 O GLY A 4 -5.090 -11.945 -23.105 1.00 0.00 O ATOM 0 H GLY A 4 -5.718 -13.597 -19.876 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.037 -11.674 -20.585 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.544 -10.802 -20.869 1.00 0.00 H new ATOM 37 N SER A 5 -6.916 -13.181 -22.656 1.00 0.00 N ATOM 38 CA SER A 5 -6.987 -13.761 -23.992 1.00 0.00 C ATOM 39 C SER A 5 -7.276 -12.687 -25.036 1.00 0.00 C ATOM 40 O SER A 5 -6.534 -12.533 -26.006 1.00 0.00 O ATOM 41 CB SER A 5 -8.067 -14.843 -24.044 1.00 0.00 C ATOM 42 OG SER A 5 -7.648 -16.016 -23.367 1.00 0.00 O ATOM 0 H SER A 5 -7.648 -13.496 -22.020 1.00 0.00 H new ATOM 0 HA SER A 5 -6.020 -14.211 -24.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.985 -14.467 -23.592 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.297 -15.081 -25.082 1.00 0.00 H new ATOM 0 HG SER A 5 -8.357 -16.691 -23.413 1.00 0.00 H new ATOM 48 N SER A 6 -8.361 -11.947 -24.830 1.00 0.00 N ATOM 49 CA SER A 6 -8.752 -10.890 -25.755 1.00 0.00 C ATOM 50 C SER A 6 -7.596 -9.924 -25.996 1.00 0.00 C ATOM 51 O SER A 6 -7.311 -9.550 -27.132 1.00 0.00 O ATOM 52 CB SER A 6 -9.962 -10.129 -25.211 1.00 0.00 C ATOM 53 OG SER A 6 -11.163 -10.845 -25.444 1.00 0.00 O ATOM 0 H SER A 6 -8.985 -12.060 -24.031 1.00 0.00 H new ATOM 0 HA SER A 6 -9.020 -11.353 -26.705 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.838 -9.959 -24.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.022 -9.149 -25.684 1.00 0.00 H new ATOM 0 HG SER A 6 -11.921 -10.338 -25.085 1.00 0.00 H new ATOM 59 N GLY A 7 -6.933 -9.523 -24.915 1.00 0.00 N ATOM 60 CA GLY A 7 -5.816 -8.604 -25.028 1.00 0.00 C ATOM 61 C GLY A 7 -4.495 -9.319 -25.230 1.00 0.00 C ATOM 62 O GLY A 7 -4.397 -10.529 -25.022 1.00 0.00 O ATOM 0 H GLY A 7 -7.150 -9.819 -23.963 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.990 -7.926 -25.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.760 -7.992 -24.128 1.00 0.00 H new ATOM 66 N LYS A 8 -3.475 -8.572 -25.639 1.00 0.00 N ATOM 67 CA LYS A 8 -2.153 -9.141 -25.870 1.00 0.00 C ATOM 68 C LYS A 8 -1.220 -8.841 -24.701 1.00 0.00 C ATOM 69 O LYS A 8 -0.656 -9.753 -24.095 1.00 0.00 O ATOM 70 CB LYS A 8 -1.556 -8.588 -27.166 1.00 0.00 C ATOM 71 CG LYS A 8 -2.182 -9.173 -28.421 1.00 0.00 C ATOM 72 CD LYS A 8 -1.302 -8.949 -29.639 1.00 0.00 C ATOM 73 CE LYS A 8 -1.844 -9.676 -30.860 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.759 -10.058 -31.806 1.00 0.00 N ATOM 0 H LYS A 8 -3.539 -7.570 -25.817 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.261 -10.222 -25.959 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.678 -7.505 -27.180 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.485 -8.788 -27.177 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.348 -10.241 -28.282 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.158 -8.718 -28.588 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.235 -7.882 -29.850 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.291 -9.296 -29.427 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.380 -10.570 -30.542 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.564 -9.038 -31.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.170 -10.551 -32.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.264 -9.203 -32.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.085 -10.687 -31.325 1.00 0.00 H new ATOM 88 N ARG A 9 -1.062 -7.559 -24.389 1.00 0.00 N ATOM 89 CA ARG A 9 -0.198 -7.140 -23.292 1.00 0.00 C ATOM 90 C ARG A 9 -0.993 -6.995 -21.998 1.00 0.00 C ATOM 91 O ARG A 9 -2.194 -6.725 -22.005 1.00 0.00 O ATOM 92 CB ARG A 9 0.488 -5.816 -23.633 1.00 0.00 C ATOM 93 CG ARG A 9 1.525 -5.934 -24.738 1.00 0.00 C ATOM 94 CD ARG A 9 2.898 -6.275 -24.180 1.00 0.00 C ATOM 95 NE ARG A 9 3.062 -7.711 -23.970 1.00 0.00 N ATOM 96 CZ ARG A 9 4.140 -8.254 -23.416 1.00 0.00 C ATOM 97 NH1 ARG A 9 5.144 -7.485 -23.018 1.00 0.00 N ATOM 98 NH2 ARG A 9 4.215 -9.569 -23.259 1.00 0.00 N ATOM 0 H ARG A 9 -1.521 -6.792 -24.881 1.00 0.00 H new ATOM 0 HA ARG A 9 0.561 -7.908 -23.147 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.269 -5.091 -23.933 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.968 -5.424 -22.736 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.218 -6.703 -25.446 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.578 -4.996 -25.290 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.667 -5.919 -24.866 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.046 -5.751 -23.236 1.00 0.00 H new ATOM 0 HE ARG A 9 2.307 -8.331 -24.265 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.090 -6.473 -23.137 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.971 -7.905 -22.593 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.444 -10.164 -23.564 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.043 -9.985 -22.833 1.00 0.00 H new ATOM 112 N PRO A 10 -0.309 -7.180 -20.859 1.00 0.00 N ATOM 113 CA PRO A 10 -0.931 -7.075 -19.536 1.00 0.00 C ATOM 114 C PRO A 10 -1.315 -5.640 -19.188 1.00 0.00 C ATOM 115 O PRO A 10 -0.464 -4.752 -19.152 1.00 0.00 O ATOM 116 CB PRO A 10 0.160 -7.581 -18.589 1.00 0.00 C ATOM 117 CG PRO A 10 1.437 -7.329 -19.315 1.00 0.00 C ATOM 118 CD PRO A 10 1.125 -7.504 -20.775 1.00 0.00 C ATOM 0 HA PRO A 10 -1.861 -7.640 -19.477 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.135 -7.051 -17.637 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.032 -8.641 -18.368 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.809 -6.324 -19.113 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.212 -8.026 -18.995 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.724 -6.839 -21.396 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.327 -8.521 -21.110 1.00 0.00 H new ATOM 126 N ARG A 11 -2.601 -5.422 -18.932 1.00 0.00 N ATOM 127 CA ARG A 11 -3.097 -4.095 -18.588 1.00 0.00 C ATOM 128 C ARG A 11 -2.845 -3.786 -17.115 1.00 0.00 C ATOM 129 O ARG A 11 -3.346 -4.480 -16.229 1.00 0.00 O ATOM 130 CB ARG A 11 -4.592 -3.991 -18.894 1.00 0.00 C ATOM 131 CG ARG A 11 -5.113 -2.563 -18.908 1.00 0.00 C ATOM 132 CD ARG A 11 -4.802 -1.870 -20.225 1.00 0.00 C ATOM 133 NE ARG A 11 -5.793 -2.177 -21.253 1.00 0.00 N ATOM 134 CZ ARG A 11 -5.546 -2.105 -22.556 1.00 0.00 C ATOM 135 NH1 ARG A 11 -4.348 -1.737 -22.988 1.00 0.00 N ATOM 136 NH2 ARG A 11 -6.499 -2.400 -23.430 1.00 0.00 N ATOM 0 H ARG A 11 -3.318 -6.147 -18.956 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.558 -3.365 -19.192 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.789 -4.450 -19.863 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.147 -4.564 -18.151 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.190 -2.566 -18.743 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.666 -2.003 -18.086 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.765 -0.792 -20.067 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.814 -2.175 -20.571 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.726 -2.462 -20.954 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.613 -1.508 -22.319 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.161 -1.683 -23.989 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.422 -2.682 -23.102 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.308 -2.344 -24.430 1.00 0.00 H new ATOM 150 N THR A 12 -2.066 -2.740 -16.860 1.00 0.00 N ATOM 151 CA THR A 12 -1.746 -2.340 -15.495 1.00 0.00 C ATOM 152 C THR A 12 -2.825 -1.427 -14.923 1.00 0.00 C ATOM 153 O THR A 12 -3.190 -0.423 -15.535 1.00 0.00 O ATOM 154 CB THR A 12 -0.388 -1.617 -15.425 1.00 0.00 C ATOM 155 OG1 THR A 12 -0.051 -1.339 -14.062 1.00 0.00 O ATOM 156 CG2 THR A 12 -0.423 -0.320 -16.219 1.00 0.00 C ATOM 0 H THR A 12 -1.645 -2.154 -17.581 1.00 0.00 H new ATOM 0 HA THR A 12 -1.694 -3.253 -14.902 1.00 0.00 H new ATOM 0 HB THR A 12 0.369 -2.270 -15.860 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.815 -0.881 -14.026 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.547 0.172 -16.154 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.650 -0.538 -17.262 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.191 0.336 -15.810 1.00 0.00 H new ATOM 164 N ARG A 13 -3.330 -1.782 -13.746 1.00 0.00 N ATOM 165 CA ARG A 13 -4.368 -0.994 -13.092 1.00 0.00 C ATOM 166 C ARG A 13 -4.535 -1.417 -11.635 1.00 0.00 C ATOM 167 O ARG A 13 -4.976 -2.531 -11.350 1.00 0.00 O ATOM 168 CB ARG A 13 -5.697 -1.145 -13.834 1.00 0.00 C ATOM 169 CG ARG A 13 -6.624 0.048 -13.671 1.00 0.00 C ATOM 170 CD ARG A 13 -8.085 -0.369 -13.739 1.00 0.00 C ATOM 171 NE ARG A 13 -8.603 -0.328 -15.104 1.00 0.00 N ATOM 172 CZ ARG A 13 -9.889 -0.471 -15.406 1.00 0.00 C ATOM 173 NH1 ARG A 13 -10.782 -0.663 -14.446 1.00 0.00 N ATOM 174 NH2 ARG A 13 -10.283 -0.423 -16.673 1.00 0.00 N ATOM 0 H ARG A 13 -3.038 -2.609 -13.226 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.064 0.052 -13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.496 -1.296 -14.895 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.204 -2.040 -13.475 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.428 0.535 -12.716 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.417 0.781 -14.451 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.193 -1.378 -13.340 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.680 0.289 -13.106 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.942 -0.182 -15.867 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.483 -0.701 -13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.768 -0.772 -14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.598 -0.276 -17.415 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.270 -0.533 -16.905 1.00 0.00 H new ATOM 188 N ILE A 14 -4.180 -0.522 -10.720 1.00 0.00 N ATOM 189 CA ILE A 14 -4.291 -0.803 -9.294 1.00 0.00 C ATOM 190 C ILE A 14 -5.512 -0.116 -8.692 1.00 0.00 C ATOM 191 O ILE A 14 -5.886 0.983 -9.103 1.00 0.00 O ATOM 192 CB ILE A 14 -3.032 -0.350 -8.531 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.779 -0.960 -9.163 1.00 0.00 C ATOM 194 CG2 ILE A 14 -3.134 -0.738 -7.063 1.00 0.00 C ATOM 195 CD1 ILE A 14 -0.493 -0.318 -8.693 1.00 0.00 C ATOM 0 H ILE A 14 -3.813 0.404 -10.940 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.398 -1.883 -9.192 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.957 0.735 -8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.748 -2.025 -8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.847 -0.868 -10.247 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.237 -0.411 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.008 -0.261 -6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.230 -1.820 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.354 -0.800 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.502 0.742 -8.945 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.402 -0.433 -7.613 1.00 0.00 H new ATOM 207 N THR A 15 -6.130 -0.769 -7.713 1.00 0.00 N ATOM 208 CA THR A 15 -7.308 -0.221 -7.053 1.00 0.00 C ATOM 209 C THR A 15 -6.962 0.317 -5.669 1.00 0.00 C ATOM 210 O THR A 15 -5.821 0.214 -5.220 1.00 0.00 O ATOM 211 CB THR A 15 -8.418 -1.280 -6.916 1.00 0.00 C ATOM 212 OG1 THR A 15 -9.595 -0.686 -6.357 1.00 0.00 O ATOM 213 CG2 THR A 15 -7.961 -2.434 -6.037 1.00 0.00 C ATOM 0 H THR A 15 -5.834 -1.679 -7.360 1.00 0.00 H new ATOM 0 HA THR A 15 -7.670 0.596 -7.678 1.00 0.00 H new ATOM 0 HB THR A 15 -8.643 -1.668 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.297 -1.365 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.762 -3.169 -5.955 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.082 -2.903 -6.480 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.711 -2.059 -5.045 1.00 0.00 H new ATOM 221 N ASP A 16 -7.955 0.891 -4.998 1.00 0.00 N ATOM 222 CA ASP A 16 -7.756 1.445 -3.664 1.00 0.00 C ATOM 223 C ASP A 16 -7.591 0.333 -2.633 1.00 0.00 C ATOM 224 O ASP A 16 -6.914 0.508 -1.619 1.00 0.00 O ATOM 225 CB ASP A 16 -8.933 2.342 -3.280 1.00 0.00 C ATOM 226 CG ASP A 16 -8.678 3.117 -2.002 1.00 0.00 C ATOM 227 OD1 ASP A 16 -7.984 4.153 -2.066 1.00 0.00 O ATOM 228 OD2 ASP A 16 -9.172 2.687 -0.938 1.00 0.00 O ATOM 0 H ASP A 16 -8.905 0.985 -5.356 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.844 2.042 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.133 3.041 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.827 1.731 -3.158 1.00 0.00 H new ATOM 233 N ASP A 17 -8.213 -0.810 -2.898 1.00 0.00 N ATOM 234 CA ASP A 17 -8.136 -1.951 -1.994 1.00 0.00 C ATOM 235 C ASP A 17 -6.766 -2.617 -2.076 1.00 0.00 C ATOM 236 O ASP A 17 -6.327 -3.273 -1.131 1.00 0.00 O ATOM 237 CB ASP A 17 -9.231 -2.967 -2.325 1.00 0.00 C ATOM 238 CG ASP A 17 -10.589 -2.317 -2.499 1.00 0.00 C ATOM 239 OD1 ASP A 17 -11.141 -1.817 -1.497 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.100 -2.308 -3.639 1.00 0.00 O ATOM 0 H ASP A 17 -8.777 -0.971 -3.733 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.284 -1.588 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.966 -3.498 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.286 -3.710 -1.529 1.00 0.00 H new ATOM 245 N GLN A 18 -6.096 -2.445 -3.211 1.00 0.00 N ATOM 246 CA GLN A 18 -4.777 -3.031 -3.416 1.00 0.00 C ATOM 247 C GLN A 18 -3.679 -2.061 -2.992 1.00 0.00 C ATOM 248 O GLN A 18 -2.671 -2.464 -2.410 1.00 0.00 O ATOM 249 CB GLN A 18 -4.591 -3.420 -4.884 1.00 0.00 C ATOM 250 CG GLN A 18 -5.336 -4.686 -5.276 1.00 0.00 C ATOM 251 CD GLN A 18 -4.764 -5.339 -6.519 1.00 0.00 C ATOM 252 OE1 GLN A 18 -4.302 -6.479 -6.479 1.00 0.00 O ATOM 253 NE2 GLN A 18 -4.791 -4.617 -7.633 1.00 0.00 N ATOM 0 H GLN A 18 -6.445 -1.905 -4.003 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.705 -3.926 -2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.930 -2.598 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.528 -3.557 -5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.300 -5.395 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.386 -4.447 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.183 -3.676 -7.621 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.419 -5.004 -8.501 1.00 0.00 H new ATOM 262 N LEU A 19 -3.879 -0.782 -3.289 1.00 0.00 N ATOM 263 CA LEU A 19 -2.905 0.246 -2.939 1.00 0.00 C ATOM 264 C LEU A 19 -2.774 0.379 -1.425 1.00 0.00 C ATOM 265 O LEU A 19 -1.670 0.521 -0.898 1.00 0.00 O ATOM 266 CB LEU A 19 -3.313 1.590 -3.546 1.00 0.00 C ATOM 267 CG LEU A 19 -2.444 2.789 -3.165 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.043 2.636 -3.736 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.080 4.084 -3.650 1.00 0.00 C ATOM 0 H LEU A 19 -4.707 -0.432 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.938 -0.051 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.307 1.493 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.340 1.803 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.369 2.828 -2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.439 3.499 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.586 1.729 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.098 2.571 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.448 4.927 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.185 4.054 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.063 4.200 -3.193 1.00 0.00 H new ATOM 281 N ARG A 20 -3.906 0.328 -0.731 1.00 0.00 N ATOM 282 CA ARG A 20 -3.916 0.441 0.723 1.00 0.00 C ATOM 283 C ARG A 20 -2.979 -0.583 1.355 1.00 0.00 C ATOM 284 O ARG A 20 -2.216 -0.263 2.267 1.00 0.00 O ATOM 285 CB ARG A 20 -5.336 0.249 1.260 1.00 0.00 C ATOM 286 CG ARG A 20 -5.933 -1.109 0.931 1.00 0.00 C ATOM 287 CD ARG A 20 -7.390 -1.196 1.358 1.00 0.00 C ATOM 288 NE ARG A 20 -7.535 -1.205 2.811 1.00 0.00 N ATOM 289 CZ ARG A 20 -7.193 -2.235 3.577 1.00 0.00 C ATOM 290 NH1 ARG A 20 -6.688 -3.333 3.031 1.00 0.00 N ATOM 291 NH2 ARG A 20 -7.355 -2.168 4.892 1.00 0.00 N ATOM 0 H ARG A 20 -4.828 0.209 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.566 1.439 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.327 0.380 2.342 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.979 1.028 0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.855 -1.292 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.359 -1.890 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.940 -0.351 0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.836 -2.100 0.944 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.920 -0.375 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.561 -3.388 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.426 -4.122 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.743 -1.325 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.092 -2.959 5.479 1.00 0.00 H new ATOM 305 N VAL A 21 -3.042 -1.817 0.864 1.00 0.00 N ATOM 306 CA VAL A 21 -2.198 -2.889 1.380 1.00 0.00 C ATOM 307 C VAL A 21 -0.721 -2.540 1.243 1.00 0.00 C ATOM 308 O VAL A 21 0.096 -2.909 2.088 1.00 0.00 O ATOM 309 CB VAL A 21 -2.470 -4.218 0.649 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.454 -5.271 1.062 1.00 0.00 C ATOM 311 CG2 VAL A 21 -3.888 -4.696 0.924 1.00 0.00 C ATOM 0 H VAL A 21 -3.668 -2.099 0.110 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.444 -3.006 2.435 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.369 -4.051 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.661 -6.203 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.451 -4.927 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.520 -5.439 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.063 -5.636 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.019 -4.848 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.599 -3.947 0.574 1.00 0.00 H new ATOM 321 N LEU A 22 -0.384 -1.825 0.175 1.00 0.00 N ATOM 322 CA LEU A 22 0.997 -1.424 -0.072 1.00 0.00 C ATOM 323 C LEU A 22 1.375 -0.217 0.781 1.00 0.00 C ATOM 324 O LEU A 22 2.529 -0.064 1.180 1.00 0.00 O ATOM 325 CB LEU A 22 1.196 -1.098 -1.553 1.00 0.00 C ATOM 326 CG LEU A 22 0.542 -2.060 -2.546 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.266 -1.359 -3.867 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.423 -3.282 -2.763 1.00 0.00 C ATOM 0 H LEU A 22 -1.047 -1.511 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 22 1.646 -2.256 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.808 -0.096 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.266 -1.069 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.409 -2.391 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.199 -2.060 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.404 -0.516 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.203 -0.998 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.942 -3.956 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.389 -2.968 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.569 -3.798 -1.814 1.00 0.00 H new ATOM 340 N ARG A 23 0.394 0.636 1.058 1.00 0.00 N ATOM 341 CA ARG A 23 0.624 1.828 1.864 1.00 0.00 C ATOM 342 C ARG A 23 0.926 1.455 3.313 1.00 0.00 C ATOM 343 O ARG A 23 1.924 1.896 3.881 1.00 0.00 O ATOM 344 CB ARG A 23 -0.596 2.751 1.808 1.00 0.00 C ATOM 345 CG ARG A 23 -0.648 3.615 0.559 1.00 0.00 C ATOM 346 CD ARG A 23 0.251 4.835 0.688 1.00 0.00 C ATOM 347 NE ARG A 23 -0.338 5.860 1.545 1.00 0.00 N ATOM 348 CZ ARG A 23 -1.206 6.769 1.114 1.00 0.00 C ATOM 349 NH1 ARG A 23 -1.584 6.779 -0.156 1.00 0.00 N ATOM 350 NH2 ARG A 23 -1.698 7.670 1.955 1.00 0.00 N ATOM 0 H ARG A 23 -0.567 0.523 0.736 1.00 0.00 H new ATOM 0 HA ARG A 23 1.487 2.352 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.501 2.146 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.594 3.396 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.342 3.026 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.674 3.935 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.216 4.533 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.439 5.253 -0.301 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.068 5.879 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.209 6.088 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.250 7.478 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.410 7.665 2.933 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.364 8.367 1.623 1.00 0.00 H new ATOM 364 N GLN A 24 0.056 0.641 3.902 1.00 0.00 N ATOM 365 CA GLN A 24 0.230 0.210 5.285 1.00 0.00 C ATOM 366 C GLN A 24 1.685 -0.154 5.563 1.00 0.00 C ATOM 367 O GLN A 24 2.259 0.268 6.566 1.00 0.00 O ATOM 368 CB GLN A 24 -0.674 -0.987 5.585 1.00 0.00 C ATOM 369 CG GLN A 24 -2.153 -0.698 5.383 1.00 0.00 C ATOM 370 CD GLN A 24 -3.039 -1.524 6.295 1.00 0.00 C ATOM 371 OE1 GLN A 24 -2.552 -2.242 7.168 1.00 0.00 O ATOM 372 NE2 GLN A 24 -4.348 -1.426 6.096 1.00 0.00 N ATOM 0 H GLN A 24 -0.775 0.267 3.444 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.048 1.039 5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.384 -1.820 4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.512 -1.305 6.615 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.340 0.361 5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.420 -0.898 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.708 -0.818 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.994 -1.959 6.679 1.00 0.00 H new ATOM 381 N TYR A 25 2.274 -0.939 4.668 1.00 0.00 N ATOM 382 CA TYR A 25 3.661 -1.362 4.818 1.00 0.00 C ATOM 383 C TYR A 25 4.614 -0.191 4.603 1.00 0.00 C ATOM 384 O TYR A 25 5.685 -0.127 5.208 1.00 0.00 O ATOM 385 CB TYR A 25 3.984 -2.485 3.831 1.00 0.00 C ATOM 386 CG TYR A 25 3.562 -3.855 4.312 1.00 0.00 C ATOM 387 CD1 TYR A 25 4.416 -4.637 5.079 1.00 0.00 C ATOM 388 CD2 TYR A 25 2.308 -4.366 4.001 1.00 0.00 C ATOM 389 CE1 TYR A 25 4.035 -5.890 5.520 1.00 0.00 C ATOM 390 CE2 TYR A 25 1.917 -5.616 4.440 1.00 0.00 C ATOM 391 CZ TYR A 25 2.784 -6.374 5.198 1.00 0.00 C ATOM 392 OH TYR A 25 2.400 -7.621 5.637 1.00 0.00 O ATOM 0 H TYR A 25 1.813 -1.295 3.831 1.00 0.00 H new ATOM 0 HA TYR A 25 3.793 -1.732 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.492 -2.275 2.881 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.057 -2.491 3.639 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.395 -4.259 5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.627 -3.776 3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.712 -6.487 6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.938 -5.997 4.191 1.00 0.00 H new ATOM 0 HH TYR A 25 1.430 -7.718 5.539 1.00 0.00 H new ATOM 402 N PHE A 26 4.217 0.736 3.737 1.00 0.00 N ATOM 403 CA PHE A 26 5.035 1.906 3.441 1.00 0.00 C ATOM 404 C PHE A 26 5.523 2.568 4.726 1.00 0.00 C ATOM 405 O PHE A 26 6.727 2.678 4.961 1.00 0.00 O ATOM 406 CB PHE A 26 4.239 2.912 2.606 1.00 0.00 C ATOM 407 CG PHE A 26 5.098 3.947 1.936 1.00 0.00 C ATOM 408 CD1 PHE A 26 5.903 3.607 0.861 1.00 0.00 C ATOM 409 CD2 PHE A 26 5.100 5.258 2.382 1.00 0.00 C ATOM 410 CE1 PHE A 26 6.693 4.557 0.241 1.00 0.00 C ATOM 411 CE2 PHE A 26 5.888 6.212 1.766 1.00 0.00 C ATOM 412 CZ PHE A 26 6.687 5.861 0.696 1.00 0.00 C ATOM 0 H PHE A 26 3.334 0.699 3.228 1.00 0.00 H new ATOM 0 HA PHE A 26 5.904 1.577 2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.673 2.374 1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.515 3.413 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.913 2.588 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.479 5.538 3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.314 4.280 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.879 7.232 2.122 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.306 6.605 0.216 1.00 0.00 H new ATOM 422 N ASP A 27 4.581 3.008 5.553 1.00 0.00 N ATOM 423 CA ASP A 27 4.914 3.659 6.814 1.00 0.00 C ATOM 424 C ASP A 27 5.834 2.778 7.654 1.00 0.00 C ATOM 425 O ASP A 27 6.898 3.216 8.093 1.00 0.00 O ATOM 426 CB ASP A 27 3.641 3.981 7.598 1.00 0.00 C ATOM 427 CG ASP A 27 3.936 4.545 8.974 1.00 0.00 C ATOM 428 OD1 ASP A 27 4.943 5.269 9.115 1.00 0.00 O ATOM 429 OD2 ASP A 27 3.159 4.261 9.911 1.00 0.00 O ATOM 0 H ASP A 27 3.581 2.925 5.372 1.00 0.00 H new ATOM 0 HA ASP A 27 5.437 4.588 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.043 4.698 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.042 3.076 7.700 1.00 0.00 H new ATOM 434 N ILE A 28 5.416 1.536 7.874 1.00 0.00 N ATOM 435 CA ILE A 28 6.203 0.594 8.661 1.00 0.00 C ATOM 436 C ILE A 28 7.611 0.447 8.096 1.00 0.00 C ATOM 437 O ILE A 28 8.570 0.239 8.838 1.00 0.00 O ATOM 438 CB ILE A 28 5.535 -0.793 8.711 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.099 -0.673 9.227 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.342 -1.738 9.590 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.224 -1.850 8.856 1.00 0.00 C ATOM 0 H ILE A 28 4.537 1.159 7.519 1.00 0.00 H new ATOM 0 HA ILE A 28 6.260 0.998 9.672 1.00 0.00 H new ATOM 0 HB ILE A 28 5.506 -1.203 7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.119 -0.573 10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.654 0.240 8.831 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.857 -2.714 9.616 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.348 -1.843 9.184 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.399 -1.335 10.601 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.221 -1.697 9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.174 -1.938 7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.646 -2.763 9.275 1.00 0.00 H new ATOM 453 N ASN A 29 7.729 0.559 6.777 1.00 0.00 N ATOM 454 CA ASN A 29 9.021 0.440 6.112 1.00 0.00 C ATOM 455 C ASN A 29 8.977 1.066 4.721 1.00 0.00 C ATOM 456 O ASN A 29 8.217 0.631 3.857 1.00 0.00 O ATOM 457 CB ASN A 29 9.432 -1.030 6.009 1.00 0.00 C ATOM 458 CG ASN A 29 8.341 -1.893 5.404 1.00 0.00 C ATOM 459 OD1 ASN A 29 7.445 -2.362 6.106 1.00 0.00 O ATOM 460 ND2 ASN A 29 8.414 -2.108 4.096 1.00 0.00 N ATOM 0 H ASN A 29 6.945 0.732 6.148 1.00 0.00 H new ATOM 0 HA ASN A 29 9.759 0.976 6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.334 -1.111 5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.681 -1.406 7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.709 -2.682 3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.175 -1.699 3.554 1.00 0.00 H new ATOM 467 N ASN A 30 9.797 2.091 4.513 1.00 0.00 N ATOM 468 CA ASN A 30 9.852 2.778 3.228 1.00 0.00 C ATOM 469 C ASN A 30 9.613 1.802 2.079 1.00 0.00 C ATOM 470 O ASN A 30 8.630 1.917 1.348 1.00 0.00 O ATOM 471 CB ASN A 30 11.206 3.468 3.052 1.00 0.00 C ATOM 472 CG ASN A 30 11.480 4.488 4.140 1.00 0.00 C ATOM 473 OD1 ASN A 30 11.296 5.689 3.941 1.00 0.00 O ATOM 474 ND2 ASN A 30 11.924 4.013 5.298 1.00 0.00 N ATOM 0 H ASN A 30 10.433 2.464 5.218 1.00 0.00 H new ATOM 0 HA ASN A 30 9.064 3.531 3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.996 2.717 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.236 3.960 2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.127 4.652 6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.062 3.010 5.418 1.00 0.00 H new ATOM 481 N SER A 31 10.520 0.841 1.928 1.00 0.00 N ATOM 482 CA SER A 31 10.410 -0.153 0.867 1.00 0.00 C ATOM 483 C SER A 31 10.273 -1.556 1.450 1.00 0.00 C ATOM 484 O SER A 31 10.889 -1.900 2.459 1.00 0.00 O ATOM 485 CB SER A 31 11.632 -0.087 -0.051 1.00 0.00 C ATOM 486 OG SER A 31 11.336 -0.613 -1.333 1.00 0.00 O ATOM 0 H SER A 31 11.338 0.730 2.527 1.00 0.00 H new ATOM 0 HA SER A 31 9.515 0.069 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.964 0.947 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.455 -0.646 0.394 1.00 0.00 H new ATOM 0 HG SER A 31 12.133 -0.558 -1.901 1.00 0.00 H new ATOM 492 N PRO A 32 9.446 -2.388 0.800 1.00 0.00 N ATOM 493 CA PRO A 32 9.208 -3.768 1.234 1.00 0.00 C ATOM 494 C PRO A 32 10.427 -4.660 1.025 1.00 0.00 C ATOM 495 O PRO A 32 11.367 -4.288 0.322 1.00 0.00 O ATOM 496 CB PRO A 32 8.051 -4.226 0.343 1.00 0.00 C ATOM 497 CG PRO A 32 8.152 -3.375 -0.876 1.00 0.00 C ATOM 498 CD PRO A 32 8.679 -2.046 -0.410 1.00 0.00 C ATOM 0 HA PRO A 32 8.992 -3.828 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.137 -5.284 0.095 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.091 -4.092 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.820 -3.824 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.180 -3.263 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.309 -1.576 -1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.871 -1.348 -0.190 1.00 0.00 H new ATOM 506 N SER A 33 10.404 -5.838 1.640 1.00 0.00 N ATOM 507 CA SER A 33 11.510 -6.782 1.523 1.00 0.00 C ATOM 508 C SER A 33 11.102 -7.997 0.696 1.00 0.00 C ATOM 509 O SER A 33 9.924 -8.345 0.625 1.00 0.00 O ATOM 510 CB SER A 33 11.975 -7.228 2.911 1.00 0.00 C ATOM 511 OG SER A 33 10.995 -8.033 3.543 1.00 0.00 O ATOM 0 H SER A 33 9.633 -6.162 2.224 1.00 0.00 H new ATOM 0 HA SER A 33 12.333 -6.279 1.015 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.907 -7.786 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.184 -6.353 3.527 1.00 0.00 H new ATOM 0 HG SER A 33 10.541 -7.511 4.238 1.00 0.00 H new ATOM 517 N GLU A 34 12.086 -8.638 0.072 1.00 0.00 N ATOM 518 CA GLU A 34 11.829 -9.813 -0.751 1.00 0.00 C ATOM 519 C GLU A 34 10.747 -10.690 -0.127 1.00 0.00 C ATOM 520 O GLU A 34 9.992 -11.358 -0.832 1.00 0.00 O ATOM 521 CB GLU A 34 13.114 -10.624 -0.936 1.00 0.00 C ATOM 522 CG GLU A 34 13.962 -10.162 -2.108 1.00 0.00 C ATOM 523 CD GLU A 34 15.231 -10.977 -2.267 1.00 0.00 C ATOM 524 OE1 GLU A 34 16.077 -10.944 -1.349 1.00 0.00 O ATOM 525 OE2 GLU A 34 15.378 -11.647 -3.311 1.00 0.00 O ATOM 0 H GLU A 34 13.067 -8.363 0.121 1.00 0.00 H new ATOM 0 HA GLU A 34 11.478 -9.472 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.707 -10.563 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.854 -11.673 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.375 -10.228 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.223 -9.113 -1.971 1.00 0.00 H new ATOM 532 N GLU A 35 10.680 -10.680 1.201 1.00 0.00 N ATOM 533 CA GLU A 35 9.691 -11.475 1.921 1.00 0.00 C ATOM 534 C GLU A 35 8.313 -10.824 1.849 1.00 0.00 C ATOM 535 O GLU A 35 7.306 -11.500 1.645 1.00 0.00 O ATOM 536 CB GLU A 35 10.110 -11.649 3.382 1.00 0.00 C ATOM 537 CG GLU A 35 11.061 -12.812 3.608 1.00 0.00 C ATOM 538 CD GLU A 35 10.423 -14.155 3.307 1.00 0.00 C ATOM 539 OE1 GLU A 35 10.351 -14.523 2.116 1.00 0.00 O ATOM 540 OE2 GLU A 35 9.995 -14.836 4.262 1.00 0.00 O ATOM 0 H GLU A 35 11.298 -10.131 1.799 1.00 0.00 H new ATOM 0 HA GLU A 35 9.635 -12.455 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.585 -10.730 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.219 -11.796 3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.942 -12.683 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.404 -12.801 4.643 1.00 0.00 H new ATOM 547 N GLN A 36 8.278 -9.506 2.020 1.00 0.00 N ATOM 548 CA GLN A 36 7.024 -8.763 1.977 1.00 0.00 C ATOM 549 C GLN A 36 6.499 -8.666 0.548 1.00 0.00 C ATOM 550 O GLN A 36 5.337 -8.974 0.282 1.00 0.00 O ATOM 551 CB GLN A 36 7.216 -7.362 2.559 1.00 0.00 C ATOM 552 CG GLN A 36 7.778 -7.362 3.972 1.00 0.00 C ATOM 553 CD GLN A 36 8.538 -6.092 4.297 1.00 0.00 C ATOM 554 OE1 GLN A 36 9.765 -6.099 4.407 1.00 0.00 O ATOM 555 NE2 GLN A 36 7.813 -4.990 4.453 1.00 0.00 N ATOM 0 H GLN A 36 9.103 -8.931 2.190 1.00 0.00 H new ATOM 0 HA GLN A 36 6.291 -9.300 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.886 -6.797 1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.258 -6.843 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.962 -7.485 4.684 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.440 -8.219 4.096 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.799 -5.028 4.353 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.271 -4.105 4.673 1.00 0.00 H new ATOM 564 N ILE A 37 7.361 -8.234 -0.366 1.00 0.00 N ATOM 565 CA ILE A 37 6.983 -8.097 -1.767 1.00 0.00 C ATOM 566 C ILE A 37 6.228 -9.328 -2.256 1.00 0.00 C ATOM 567 O ILE A 37 5.400 -9.242 -3.164 1.00 0.00 O ATOM 568 CB ILE A 37 8.216 -7.875 -2.663 1.00 0.00 C ATOM 569 CG1 ILE A 37 9.095 -6.760 -2.093 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.785 -7.543 -4.084 1.00 0.00 C ATOM 571 CD1 ILE A 37 10.195 -6.318 -3.032 1.00 0.00 C ATOM 0 H ILE A 37 8.326 -7.973 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 37 6.333 -7.225 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 37 8.800 -8.795 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.468 -5.902 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.541 -7.102 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.667 -7.389 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.197 -8.367 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.182 -6.635 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.778 -5.526 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.845 -7.164 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.756 -5.945 -3.957 1.00 0.00 H new ATOM 583 N LYS A 38 6.516 -10.473 -1.647 1.00 0.00 N ATOM 584 CA LYS A 38 5.862 -11.722 -2.017 1.00 0.00 C ATOM 585 C LYS A 38 4.528 -11.873 -1.293 1.00 0.00 C ATOM 586 O LYS A 38 3.501 -12.142 -1.916 1.00 0.00 O ATOM 587 CB LYS A 38 6.769 -12.912 -1.691 1.00 0.00 C ATOM 588 CG LYS A 38 6.571 -14.099 -2.617 1.00 0.00 C ATOM 589 CD LYS A 38 7.277 -13.893 -3.946 1.00 0.00 C ATOM 590 CE LYS A 38 6.873 -14.951 -4.962 1.00 0.00 C ATOM 591 NZ LYS A 38 7.369 -16.302 -4.583 1.00 0.00 N ATOM 0 H LYS A 38 7.199 -10.562 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 38 5.672 -11.700 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.809 -12.590 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.585 -13.228 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.950 -15.002 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.506 -14.253 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.039 -12.903 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.356 -13.925 -3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.787 -14.974 -5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.266 -14.682 -5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.073 -16.994 -5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.407 -16.287 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.974 -16.570 -3.659 1.00 0.00 H new ATOM 605 N GLU A 39 4.551 -11.697 0.024 1.00 0.00 N ATOM 606 CA GLU A 39 3.342 -11.814 0.831 1.00 0.00 C ATOM 607 C GLU A 39 2.254 -10.873 0.320 1.00 0.00 C ATOM 608 O GLU A 39 1.063 -11.160 0.441 1.00 0.00 O ATOM 609 CB GLU A 39 3.649 -11.506 2.298 1.00 0.00 C ATOM 610 CG GLU A 39 3.491 -10.038 2.658 1.00 0.00 C ATOM 611 CD GLU A 39 3.656 -9.781 4.143 1.00 0.00 C ATOM 612 OE1 GLU A 39 2.822 -10.280 4.927 1.00 0.00 O ATOM 613 OE2 GLU A 39 4.618 -9.080 4.522 1.00 0.00 O ATOM 0 H GLU A 39 5.393 -11.473 0.555 1.00 0.00 H new ATOM 0 HA GLU A 39 2.980 -12.839 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.989 -12.100 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.669 -11.818 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.227 -9.452 2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.507 -9.694 2.341 1.00 0.00 H new ATOM 620 N MET A 40 2.673 -9.749 -0.252 1.00 0.00 N ATOM 621 CA MET A 40 1.735 -8.766 -0.782 1.00 0.00 C ATOM 622 C MET A 40 1.219 -9.192 -2.153 1.00 0.00 C ATOM 623 O MET A 40 0.014 -9.174 -2.406 1.00 0.00 O ATOM 624 CB MET A 40 2.402 -7.393 -0.880 1.00 0.00 C ATOM 625 CG MET A 40 2.496 -6.667 0.452 1.00 0.00 C ATOM 626 SD MET A 40 3.335 -5.077 0.319 1.00 0.00 S ATOM 627 CE MET A 40 5.045 -5.579 0.503 1.00 0.00 C ATOM 0 H MET A 40 3.655 -9.496 -0.360 1.00 0.00 H new ATOM 0 HA MET A 40 0.889 -8.702 -0.098 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.405 -7.514 -1.290 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.842 -6.775 -1.582 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.493 -6.512 0.848 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.027 -7.295 1.167 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.478 -5.085 1.373 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.095 -6.660 0.638 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.605 -5.299 -0.389 1.00 0.00 H new ATOM 637 N ALA A 41 2.137 -9.575 -3.034 1.00 0.00 N ATOM 638 CA ALA A 41 1.774 -10.007 -4.378 1.00 0.00 C ATOM 639 C ALA A 41 0.626 -11.011 -4.340 1.00 0.00 C ATOM 640 O ALA A 41 -0.155 -11.110 -5.287 1.00 0.00 O ATOM 641 CB ALA A 41 2.981 -10.608 -5.083 1.00 0.00 C ATOM 0 H ALA A 41 3.138 -9.595 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 41 1.439 -9.133 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.696 -10.926 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.772 -9.861 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.341 -11.468 -4.518 1.00 0.00 H new ATOM 647 N ASP A 42 0.531 -11.753 -3.243 1.00 0.00 N ATOM 648 CA ASP A 42 -0.522 -12.749 -3.082 1.00 0.00 C ATOM 649 C ASP A 42 -1.733 -12.150 -2.374 1.00 0.00 C ATOM 650 O ASP A 42 -2.877 -12.430 -2.733 1.00 0.00 O ATOM 651 CB ASP A 42 0.001 -13.952 -2.296 1.00 0.00 C ATOM 652 CG ASP A 42 -0.762 -15.224 -2.609 1.00 0.00 C ATOM 653 OD1 ASP A 42 -1.979 -15.271 -2.331 1.00 0.00 O ATOM 654 OD2 ASP A 42 -0.142 -16.173 -3.133 1.00 0.00 O ATOM 0 H ASP A 42 1.171 -11.684 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.831 -13.079 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.057 -14.100 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.069 -13.743 -1.228 1.00 0.00 H new ATOM 659 N LYS A 43 -1.474 -11.324 -1.366 1.00 0.00 N ATOM 660 CA LYS A 43 -2.542 -10.685 -0.606 1.00 0.00 C ATOM 661 C LYS A 43 -3.419 -9.829 -1.515 1.00 0.00 C ATOM 662 O LYS A 43 -4.639 -9.790 -1.360 1.00 0.00 O ATOM 663 CB LYS A 43 -1.955 -9.823 0.513 1.00 0.00 C ATOM 664 CG LYS A 43 -1.739 -10.578 1.813 1.00 0.00 C ATOM 665 CD LYS A 43 -1.607 -9.630 2.993 1.00 0.00 C ATOM 666 CE LYS A 43 -0.170 -9.165 3.176 1.00 0.00 C ATOM 667 NZ LYS A 43 0.206 -8.122 2.182 1.00 0.00 N ATOM 0 H LYS A 43 -0.533 -11.081 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.160 -11.468 -0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.003 -9.410 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.621 -8.980 0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.574 -11.258 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.840 -11.190 1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.254 -8.766 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.948 -10.128 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.042 -8.769 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.503 -10.017 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.017 -8.453 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.599 -7.938 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.463 -7.245 2.679 1.00 0.00 H new ATOM 681 N SER A 44 -2.788 -9.145 -2.465 1.00 0.00 N ATOM 682 CA SER A 44 -3.511 -8.288 -3.397 1.00 0.00 C ATOM 683 C SER A 44 -3.672 -8.972 -4.751 1.00 0.00 C ATOM 684 O SER A 44 -4.746 -8.943 -5.350 1.00 0.00 O ATOM 685 CB SER A 44 -2.778 -6.956 -3.571 1.00 0.00 C ATOM 686 OG SER A 44 -1.662 -7.096 -4.432 1.00 0.00 O ATOM 0 H SER A 44 -1.778 -9.168 -2.609 1.00 0.00 H new ATOM 0 HA SER A 44 -4.502 -8.099 -2.984 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.463 -6.211 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.448 -6.590 -2.599 1.00 0.00 H new ATOM 0 HG SER A 44 -1.004 -7.694 -4.020 1.00 0.00 H new ATOM 692 N GLY A 45 -2.594 -9.589 -5.228 1.00 0.00 N ATOM 693 CA GLY A 45 -2.636 -10.272 -6.508 1.00 0.00 C ATOM 694 C GLY A 45 -1.700 -9.653 -7.526 1.00 0.00 C ATOM 695 O GLY A 45 -1.514 -10.192 -8.618 1.00 0.00 O ATOM 0 H GLY A 45 -1.693 -9.628 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.372 -11.320 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.655 -10.250 -6.895 1.00 0.00 H new ATOM 699 N LEU A 46 -1.109 -8.517 -7.171 1.00 0.00 N ATOM 700 CA LEU A 46 -0.187 -7.822 -8.063 1.00 0.00 C ATOM 701 C LEU A 46 1.166 -8.525 -8.103 1.00 0.00 C ATOM 702 O LEU A 46 1.602 -9.141 -7.130 1.00 0.00 O ATOM 703 CB LEU A 46 -0.009 -6.371 -7.614 1.00 0.00 C ATOM 704 CG LEU A 46 -1.281 -5.524 -7.558 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.157 -4.445 -6.493 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.569 -4.904 -8.918 1.00 0.00 C ATOM 0 H LEU A 46 -1.252 -8.058 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.611 -7.835 -9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.447 -6.372 -6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.696 -5.887 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.116 -6.173 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.071 -3.852 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.999 -4.910 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.312 -3.798 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.478 -4.305 -8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.734 -4.269 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.702 -5.694 -9.657 1.00 0.00 H new ATOM 718 N PRO A 47 1.849 -8.430 -9.253 1.00 0.00 N ATOM 719 CA PRO A 47 3.164 -9.048 -9.446 1.00 0.00 C ATOM 720 C PRO A 47 4.253 -8.360 -8.629 1.00 0.00 C ATOM 721 O PRO A 47 4.002 -7.354 -7.967 1.00 0.00 O ATOM 722 CB PRO A 47 3.424 -8.867 -10.944 1.00 0.00 C ATOM 723 CG PRO A 47 2.612 -7.678 -11.329 1.00 0.00 C ATOM 724 CD PRO A 47 1.390 -7.711 -10.454 1.00 0.00 C ATOM 0 HA PRO A 47 3.178 -10.088 -9.120 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.483 -8.705 -11.145 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.124 -9.751 -11.507 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.174 -6.756 -11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.338 -7.717 -12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.042 -6.707 -10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.562 -8.227 -10.940 1.00 0.00 H new ATOM 732 N GLN A 48 5.462 -8.910 -8.683 1.00 0.00 N ATOM 733 CA GLN A 48 6.589 -8.349 -7.947 1.00 0.00 C ATOM 734 C GLN A 48 7.164 -7.138 -8.673 1.00 0.00 C ATOM 735 O GLN A 48 7.828 -6.295 -8.068 1.00 0.00 O ATOM 736 CB GLN A 48 7.676 -9.407 -7.753 1.00 0.00 C ATOM 737 CG GLN A 48 7.355 -10.418 -6.664 1.00 0.00 C ATOM 738 CD GLN A 48 8.554 -11.262 -6.280 1.00 0.00 C ATOM 739 OE1 GLN A 48 9.266 -11.778 -7.141 1.00 0.00 O ATOM 740 NE2 GLN A 48 8.783 -11.408 -4.980 1.00 0.00 N ATOM 0 H GLN A 48 5.686 -9.743 -9.228 1.00 0.00 H new ATOM 0 HA GLN A 48 6.229 -8.026 -6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.829 -9.936 -8.694 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.615 -8.910 -7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.988 -9.893 -5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.551 -11.070 -7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.167 -10.962 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.575 -11.966 -4.661 1.00 0.00 H new ATOM 749 N LYS A 49 6.907 -7.057 -9.974 1.00 0.00 N ATOM 750 CA LYS A 49 7.398 -5.948 -10.784 1.00 0.00 C ATOM 751 C LYS A 49 6.534 -4.706 -10.588 1.00 0.00 C ATOM 752 O LYS A 49 7.046 -3.590 -10.500 1.00 0.00 O ATOM 753 CB LYS A 49 7.417 -6.340 -12.264 1.00 0.00 C ATOM 754 CG LYS A 49 6.047 -6.692 -12.817 1.00 0.00 C ATOM 755 CD LYS A 49 6.128 -7.129 -14.271 1.00 0.00 C ATOM 756 CE LYS A 49 6.320 -5.940 -15.200 1.00 0.00 C ATOM 757 NZ LYS A 49 7.761 -5.638 -15.423 1.00 0.00 N ATOM 0 H LYS A 49 6.361 -7.747 -10.491 1.00 0.00 H new ATOM 0 HA LYS A 49 8.413 -5.717 -10.462 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.833 -5.516 -12.844 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.083 -7.192 -12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.607 -7.491 -12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.386 -5.829 -12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.955 -7.828 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.217 -7.662 -14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.840 -6.145 -16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.827 -5.065 -14.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.946 -4.640 -15.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.342 -6.246 -14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.003 -5.816 -16.419 1.00 0.00 H new ATOM 771 N VAL A 50 5.222 -4.908 -10.518 1.00 0.00 N ATOM 772 CA VAL A 50 4.288 -3.805 -10.329 1.00 0.00 C ATOM 773 C VAL A 50 4.407 -3.218 -8.927 1.00 0.00 C ATOM 774 O VAL A 50 4.352 -2.001 -8.746 1.00 0.00 O ATOM 775 CB VAL A 50 2.834 -4.254 -10.564 1.00 0.00 C ATOM 776 CG1 VAL A 50 1.861 -3.227 -10.006 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.582 -4.489 -12.046 1.00 0.00 C ATOM 0 H VAL A 50 4.782 -5.826 -10.589 1.00 0.00 H new ATOM 0 HA VAL A 50 4.547 -3.042 -11.062 1.00 0.00 H new ATOM 0 HB VAL A 50 2.673 -5.195 -10.038 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.839 -3.562 -10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.027 -3.113 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.019 -2.269 -10.501 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.550 -4.806 -12.194 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.760 -3.565 -12.596 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.255 -5.265 -12.411 1.00 0.00 H new ATOM 787 N ILE A 51 4.571 -4.091 -7.938 1.00 0.00 N ATOM 788 CA ILE A 51 4.699 -3.659 -6.552 1.00 0.00 C ATOM 789 C ILE A 51 6.036 -2.966 -6.314 1.00 0.00 C ATOM 790 O ILE A 51 6.085 -1.835 -5.828 1.00 0.00 O ATOM 791 CB ILE A 51 4.568 -4.845 -5.579 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.171 -5.462 -5.678 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.854 -4.394 -4.154 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.062 -6.819 -5.018 1.00 0.00 C ATOM 0 H ILE A 51 4.618 -5.101 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 51 3.889 -2.954 -6.364 1.00 0.00 H new ATOM 0 HB ILE A 51 5.300 -5.604 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.450 -4.785 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.897 -5.555 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.758 -5.243 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.867 -3.996 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.143 -3.619 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.045 -7.196 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.758 -7.511 -5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.304 -6.729 -3.959 1.00 0.00 H new ATOM 806 N LYS A 52 7.121 -3.650 -6.661 1.00 0.00 N ATOM 807 CA LYS A 52 8.460 -3.100 -6.489 1.00 0.00 C ATOM 808 C LYS A 52 8.562 -1.710 -7.110 1.00 0.00 C ATOM 809 O LYS A 52 9.133 -0.795 -6.516 1.00 0.00 O ATOM 810 CB LYS A 52 9.500 -4.029 -7.119 1.00 0.00 C ATOM 811 CG LYS A 52 9.834 -5.238 -6.262 1.00 0.00 C ATOM 812 CD LYS A 52 10.615 -6.279 -7.047 1.00 0.00 C ATOM 813 CE LYS A 52 11.279 -7.290 -6.124 1.00 0.00 C ATOM 814 NZ LYS A 52 12.521 -6.747 -5.509 1.00 0.00 N ATOM 0 H LYS A 52 7.099 -4.587 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 52 8.656 -3.016 -5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.131 -4.370 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.413 -3.464 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.416 -4.922 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.914 -5.682 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.945 -6.797 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.374 -5.785 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.581 -7.578 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.517 -8.193 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.655 -7.168 -4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.337 -6.979 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.441 -5.714 -5.418 1.00 0.00 H new ATOM 828 N HIS A 53 8.005 -1.560 -8.307 1.00 0.00 N ATOM 829 CA HIS A 53 8.031 -0.280 -9.007 1.00 0.00 C ATOM 830 C HIS A 53 7.232 0.773 -8.245 1.00 0.00 C ATOM 831 O HIS A 53 7.765 1.815 -7.864 1.00 0.00 O ATOM 832 CB HIS A 53 7.472 -0.437 -10.421 1.00 0.00 C ATOM 833 CG HIS A 53 6.943 0.838 -11.001 1.00 0.00 C ATOM 834 ND1 HIS A 53 7.578 1.524 -12.015 1.00 0.00 N ATOM 835 CD2 HIS A 53 5.832 1.552 -10.705 1.00 0.00 C ATOM 836 CE1 HIS A 53 6.881 2.605 -12.316 1.00 0.00 C ATOM 837 NE2 HIS A 53 5.816 2.645 -11.536 1.00 0.00 N ATOM 0 H HIS A 53 7.530 -2.308 -8.813 1.00 0.00 H new ATOM 0 HA HIS A 53 9.068 0.051 -9.069 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.256 -0.825 -11.072 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.674 -1.179 -10.407 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.095 1.307 -9.955 1.00 0.00 H new ATOM 0 HE1 HIS A 53 7.138 3.333 -13.072 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.098 3.370 -11.549 1.00 0.00 H new ATOM 846 N TRP A 54 5.952 0.494 -8.027 1.00 0.00 N ATOM 847 CA TRP A 54 5.080 1.418 -7.312 1.00 0.00 C ATOM 848 C TRP A 54 5.796 2.022 -6.109 1.00 0.00 C ATOM 849 O TRP A 54 5.748 3.233 -5.890 1.00 0.00 O ATOM 850 CB TRP A 54 3.808 0.701 -6.855 1.00 0.00 C ATOM 851 CG TRP A 54 2.917 1.555 -6.005 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.858 2.308 -6.426 1.00 0.00 C ATOM 853 CD2 TRP A 54 3.009 1.745 -4.589 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.287 2.955 -5.357 1.00 0.00 N ATOM 855 CE2 TRP A 54 1.973 2.625 -4.218 1.00 0.00 C ATOM 856 CE3 TRP A 54 3.863 1.255 -3.597 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.773 3.025 -2.900 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.663 1.653 -2.289 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.624 2.530 -1.950 1.00 0.00 C ATOM 0 H TRP A 54 5.495 -0.364 -8.335 1.00 0.00 H new ATOM 0 HA TRP A 54 4.810 2.224 -7.994 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.252 0.369 -7.732 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.084 -0.193 -6.295 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.519 2.384 -7.449 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.482 3.580 -5.404 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.665 0.577 -3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.974 3.702 -2.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.318 1.282 -1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.492 2.821 -0.918 1.00 0.00 H new ATOM 870 N PHE A 55 6.461 1.173 -5.333 1.00 0.00 N ATOM 871 CA PHE A 55 7.187 1.624 -4.152 1.00 0.00 C ATOM 872 C PHE A 55 8.291 2.606 -4.534 1.00 0.00 C ATOM 873 O PHE A 55 8.532 3.589 -3.833 1.00 0.00 O ATOM 874 CB PHE A 55 7.788 0.429 -3.409 1.00 0.00 C ATOM 875 CG PHE A 55 6.875 -0.147 -2.364 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.749 0.459 -1.125 1.00 0.00 C ATOM 877 CD2 PHE A 55 6.143 -1.295 -2.622 1.00 0.00 C ATOM 878 CE1 PHE A 55 5.910 -0.069 -0.161 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.302 -1.827 -1.663 1.00 0.00 C ATOM 880 CZ PHE A 55 5.186 -1.214 -0.431 1.00 0.00 C ATOM 0 H PHE A 55 6.512 0.168 -5.501 1.00 0.00 H new ATOM 0 HA PHE A 55 6.482 2.134 -3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.038 -0.349 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.720 0.737 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.313 1.355 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.231 -1.779 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.821 0.413 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.736 -2.722 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.530 -1.629 0.320 1.00 0.00 H new ATOM 890 N ARG A 56 8.957 2.333 -5.651 1.00 0.00 N ATOM 891 CA ARG A 56 10.036 3.190 -6.127 1.00 0.00 C ATOM 892 C ARG A 56 9.486 4.510 -6.661 1.00 0.00 C ATOM 893 O ARG A 56 9.883 5.585 -6.213 1.00 0.00 O ATOM 894 CB ARG A 56 10.837 2.480 -7.220 1.00 0.00 C ATOM 895 CG ARG A 56 11.886 3.362 -7.877 1.00 0.00 C ATOM 896 CD ARG A 56 13.202 3.322 -7.117 1.00 0.00 C ATOM 897 NE ARG A 56 14.342 3.617 -7.980 1.00 0.00 N ATOM 898 CZ ARG A 56 15.584 3.768 -7.533 1.00 0.00 C ATOM 899 NH1 ARG A 56 15.844 3.651 -6.238 1.00 0.00 N ATOM 900 NH2 ARG A 56 16.568 4.036 -8.381 1.00 0.00 N ATOM 0 H ARG A 56 8.768 1.525 -6.244 1.00 0.00 H new ATOM 0 HA ARG A 56 10.694 3.404 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.327 1.606 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.150 2.117 -7.984 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.047 3.034 -8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.523 4.389 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.170 4.042 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.332 2.337 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 56 14.176 3.712 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.090 3.445 -5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.798 3.767 -5.897 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.372 4.126 -9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.521 4.152 -8.036 1.00 0.00 H new ATOM 914 N ASN A 57 8.571 4.419 -7.621 1.00 0.00 N ATOM 915 CA ASN A 57 7.968 5.606 -8.216 1.00 0.00 C ATOM 916 C ASN A 57 7.309 6.475 -7.150 1.00 0.00 C ATOM 917 O ASN A 57 7.530 7.685 -7.094 1.00 0.00 O ATOM 918 CB ASN A 57 6.936 5.204 -9.272 1.00 0.00 C ATOM 919 CG ASN A 57 7.576 4.855 -10.602 1.00 0.00 C ATOM 920 OD1 ASN A 57 8.492 4.035 -10.668 1.00 0.00 O ATOM 921 ND2 ASN A 57 7.094 5.479 -11.671 1.00 0.00 N ATOM 0 H ASN A 57 8.231 3.536 -8.003 1.00 0.00 H new ATOM 0 HA ASN A 57 8.759 6.185 -8.692 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.365 4.349 -8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.229 6.021 -9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.484 5.286 -12.593 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.334 6.151 -11.569 1.00 0.00 H new ATOM 928 N THR A 58 6.498 5.849 -6.302 1.00 0.00 N ATOM 929 CA THR A 58 5.805 6.564 -5.238 1.00 0.00 C ATOM 930 C THR A 58 6.795 7.187 -4.260 1.00 0.00 C ATOM 931 O THR A 58 6.756 8.392 -4.005 1.00 0.00 O ATOM 932 CB THR A 58 4.853 5.633 -4.463 1.00 0.00 C ATOM 933 OG1 THR A 58 3.988 4.948 -5.375 1.00 0.00 O ATOM 934 CG2 THR A 58 4.022 6.421 -3.462 1.00 0.00 C ATOM 0 H THR A 58 6.305 4.848 -6.332 1.00 0.00 H new ATOM 0 HA THR A 58 5.222 7.353 -5.714 1.00 0.00 H new ATOM 0 HB THR A 58 5.455 4.906 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.482 4.225 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.357 5.743 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.683 6.917 -2.751 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.429 7.168 -3.990 1.00 0.00 H new ATOM 942 N LEU A 59 7.683 6.362 -3.717 1.00 0.00 N ATOM 943 CA LEU A 59 8.685 6.833 -2.768 1.00 0.00 C ATOM 944 C LEU A 59 9.563 7.912 -3.393 1.00 0.00 C ATOM 945 O LEU A 59 9.589 9.052 -2.929 1.00 0.00 O ATOM 946 CB LEU A 59 9.552 5.667 -2.291 1.00 0.00 C ATOM 947 CG LEU A 59 10.749 6.036 -1.413 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.341 6.090 0.051 1.00 0.00 C ATOM 949 CD2 LEU A 59 11.885 5.043 -1.616 1.00 0.00 C ATOM 0 H LEU A 59 7.729 5.363 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 59 8.165 7.265 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.920 4.974 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.920 5.132 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 59 11.100 7.025 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.206 6.354 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.561 6.840 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.964 5.115 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.728 5.321 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.545 4.042 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.196 5.054 -2.661 1.00 0.00 H new ATOM 961 N PHE A 60 10.280 7.545 -4.450 1.00 0.00 N ATOM 962 CA PHE A 60 11.158 8.483 -5.141 1.00 0.00 C ATOM 963 C PHE A 60 10.445 9.806 -5.400 1.00 0.00 C ATOM 964 O PHE A 60 11.021 10.880 -5.225 1.00 0.00 O ATOM 965 CB PHE A 60 11.641 7.882 -6.463 1.00 0.00 C ATOM 966 CG PHE A 60 12.987 8.389 -6.895 1.00 0.00 C ATOM 967 CD1 PHE A 60 13.164 9.721 -7.236 1.00 0.00 C ATOM 968 CD2 PHE A 60 14.075 7.535 -6.961 1.00 0.00 C ATOM 969 CE1 PHE A 60 14.401 10.189 -7.635 1.00 0.00 C ATOM 970 CE2 PHE A 60 15.315 7.998 -7.359 1.00 0.00 C ATOM 971 CZ PHE A 60 15.479 9.327 -7.695 1.00 0.00 C ATOM 0 H PHE A 60 10.271 6.605 -4.847 1.00 0.00 H new ATOM 0 HA PHE A 60 12.019 8.675 -4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.684 6.797 -6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.911 8.103 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.326 10.400 -7.189 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.953 6.495 -6.698 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.525 11.229 -7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.155 7.321 -7.407 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.447 9.692 -8.004 1.00 0.00 H new ATOM 981 N LYS A 61 9.187 9.721 -5.820 1.00 0.00 N ATOM 982 CA LYS A 61 8.393 10.910 -6.104 1.00 0.00 C ATOM 983 C LYS A 61 8.129 11.706 -4.829 1.00 0.00 C ATOM 984 O LYS A 61 8.334 12.918 -4.790 1.00 0.00 O ATOM 985 CB LYS A 61 7.066 10.518 -6.757 1.00 0.00 C ATOM 986 CG LYS A 61 7.157 10.343 -8.263 1.00 0.00 C ATOM 987 CD LYS A 61 5.793 10.080 -8.878 1.00 0.00 C ATOM 988 CE LYS A 61 5.450 8.598 -8.859 1.00 0.00 C ATOM 989 NZ LYS A 61 4.480 8.240 -9.931 1.00 0.00 N ATOM 0 H LYS A 61 8.695 8.840 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 61 8.958 11.538 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.713 9.588 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.321 11.281 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.591 11.238 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.827 9.515 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.033 10.638 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.779 10.445 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.361 8.013 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.032 8.334 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.272 7.222 -9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.601 8.780 -9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.889 8.468 -10.860 1.00 0.00 H new ATOM 1003 N GLU A 62 7.674 11.014 -3.789 1.00 0.00 N ATOM 1004 CA GLU A 62 7.383 11.657 -2.513 1.00 0.00 C ATOM 1005 C GLU A 62 8.554 12.526 -2.062 1.00 0.00 C ATOM 1006 O GLU A 62 8.361 13.584 -1.464 1.00 0.00 O ATOM 1007 CB GLU A 62 7.074 10.605 -1.445 1.00 0.00 C ATOM 1008 CG GLU A 62 5.678 10.017 -1.557 1.00 0.00 C ATOM 1009 CD GLU A 62 4.601 10.974 -1.084 1.00 0.00 C ATOM 1010 OE1 GLU A 62 4.436 11.118 0.146 1.00 0.00 O ATOM 1011 OE2 GLU A 62 3.924 11.578 -1.942 1.00 0.00 O ATOM 0 H GLU A 62 7.499 10.009 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 62 6.510 12.295 -2.648 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.805 9.800 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.192 11.055 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.485 9.744 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.626 9.100 -0.971 1.00 0.00 H new ATOM 1018 N ARG A 63 9.768 12.071 -2.354 1.00 0.00 N ATOM 1019 CA ARG A 63 10.970 12.805 -1.978 1.00 0.00 C ATOM 1020 C ARG A 63 10.979 14.194 -2.610 1.00 0.00 C ATOM 1021 O ARG A 63 11.523 15.140 -2.042 1.00 0.00 O ATOM 1022 CB ARG A 63 12.219 12.031 -2.403 1.00 0.00 C ATOM 1023 CG ARG A 63 12.435 10.745 -1.622 1.00 0.00 C ATOM 1024 CD ARG A 63 12.952 11.026 -0.220 1.00 0.00 C ATOM 1025 NE ARG A 63 14.369 11.378 -0.219 1.00 0.00 N ATOM 1026 CZ ARG A 63 15.344 10.502 -0.434 1.00 0.00 C ATOM 1027 NH1 ARG A 63 15.057 9.229 -0.667 1.00 0.00 N ATOM 1028 NH2 ARG A 63 16.610 10.899 -0.418 1.00 0.00 N ATOM 0 H ARG A 63 9.945 11.197 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 63 10.972 12.918 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.145 11.793 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.092 12.672 -2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.497 10.193 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.145 10.110 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.376 11.839 0.222 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.796 10.148 0.406 1.00 0.00 H new ATOM 0 HE ARG A 63 14.624 12.350 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.085 8.920 -0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 63 15.808 8.559 -0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.835 11.878 -0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.358 10.225 -0.583 1.00 0.00 H new ATOM 1042 N GLN A 64 10.373 14.306 -3.788 1.00 0.00 N ATOM 1043 CA GLN A 64 10.313 15.579 -4.497 1.00 0.00 C ATOM 1044 C GLN A 64 10.104 16.735 -3.524 1.00 0.00 C ATOM 1045 O GLN A 64 9.604 16.544 -2.415 1.00 0.00 O ATOM 1046 CB GLN A 64 9.186 15.558 -5.531 1.00 0.00 C ATOM 1047 CG GLN A 64 7.809 15.806 -4.936 1.00 0.00 C ATOM 1048 CD GLN A 64 6.760 16.091 -5.992 1.00 0.00 C ATOM 1049 OE1 GLN A 64 6.305 15.186 -6.692 1.00 0.00 O ATOM 1050 NE2 GLN A 64 6.368 17.354 -6.111 1.00 0.00 N ATOM 0 H GLN A 64 9.917 13.532 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 64 11.264 15.726 -5.009 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.386 16.314 -6.290 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.186 14.592 -6.036 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.506 14.935 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.862 16.648 -4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.772 18.072 -5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.663 17.606 -6.804 1.00 0.00 H new ATOM 1059 N SER A 65 10.492 17.934 -3.945 1.00 0.00 N ATOM 1060 CA SER A 65 10.352 19.121 -3.109 1.00 0.00 C ATOM 1061 C SER A 65 9.433 20.144 -3.769 1.00 0.00 C ATOM 1062 O SER A 65 8.461 20.601 -3.168 1.00 0.00 O ATOM 1063 CB SER A 65 11.722 19.747 -2.842 1.00 0.00 C ATOM 1064 OG SER A 65 11.637 20.755 -1.849 1.00 0.00 O ATOM 0 H SER A 65 10.906 18.110 -4.860 1.00 0.00 H new ATOM 0 HA SER A 65 9.908 18.818 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.422 18.975 -2.522 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.117 20.173 -3.764 1.00 0.00 H new ATOM 0 HG SER A 65 12.526 21.138 -1.695 1.00 0.00 H new ATOM 1070 N GLY A 66 9.748 20.500 -5.011 1.00 0.00 N ATOM 1071 CA GLY A 66 8.941 21.467 -5.732 1.00 0.00 C ATOM 1072 C GLY A 66 9.042 22.860 -5.144 1.00 0.00 C ATOM 1073 O GLY A 66 9.706 23.083 -4.132 1.00 0.00 O ATOM 0 H GLY A 66 10.547 20.136 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.256 21.493 -6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.899 21.146 -5.721 1.00 0.00 H new ATOM 1077 N PRO A 67 8.373 23.828 -5.787 1.00 0.00 N ATOM 1078 CA PRO A 67 8.376 25.224 -5.340 1.00 0.00 C ATOM 1079 C PRO A 67 7.602 25.418 -4.040 1.00 0.00 C ATOM 1080 O PRO A 67 8.063 26.106 -3.129 1.00 0.00 O ATOM 1081 CB PRO A 67 7.686 25.966 -6.488 1.00 0.00 C ATOM 1082 CG PRO A 67 6.826 24.939 -7.140 1.00 0.00 C ATOM 1083 CD PRO A 67 7.561 23.635 -7.001 1.00 0.00 C ATOM 0 HA PRO A 67 9.384 25.581 -5.128 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.093 26.803 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.414 26.376 -7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.848 24.888 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.656 25.181 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 67 6.874 22.796 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.183 23.430 -7.872 1.00 0.00 H new ATOM 1091 N SER A 68 6.424 24.807 -3.961 1.00 0.00 N ATOM 1092 CA SER A 68 5.585 24.916 -2.773 1.00 0.00 C ATOM 1093 C SER A 68 5.542 23.592 -2.016 1.00 0.00 C ATOM 1094 O SER A 68 5.040 22.590 -2.525 1.00 0.00 O ATOM 1095 CB SER A 68 4.168 25.341 -3.161 1.00 0.00 C ATOM 1096 OG SER A 68 3.455 24.266 -3.746 1.00 0.00 O ATOM 0 H SER A 68 6.029 24.232 -4.705 1.00 0.00 H new ATOM 0 HA SER A 68 6.018 25.674 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.637 25.696 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.214 26.175 -3.862 1.00 0.00 H new ATOM 0 HG SER A 68 4.003 23.454 -3.714 1.00 0.00 H new ATOM 1102 N SER A 69 6.072 23.597 -0.797 1.00 0.00 N ATOM 1103 CA SER A 69 6.098 22.396 0.030 1.00 0.00 C ATOM 1104 C SER A 69 4.736 22.149 0.671 1.00 0.00 C ATOM 1105 O SER A 69 3.857 23.008 0.639 1.00 0.00 O ATOM 1106 CB SER A 69 7.170 22.521 1.114 1.00 0.00 C ATOM 1107 OG SER A 69 7.371 21.285 1.777 1.00 0.00 O ATOM 0 H SER A 69 6.489 24.419 -0.360 1.00 0.00 H new ATOM 0 HA SER A 69 6.338 21.548 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.107 22.854 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.874 23.281 1.837 1.00 0.00 H new ATOM 0 HG SER A 69 8.062 21.391 2.464 1.00 0.00 H new ATOM 1113 N GLY A 70 4.569 20.965 1.254 1.00 0.00 N ATOM 1114 CA GLY A 70 3.313 20.624 1.895 1.00 0.00 C ATOM 1115 C GLY A 70 3.074 19.128 1.944 1.00 0.00 C ATOM 1116 O GLY A 70 3.192 18.509 3.002 1.00 0.00 O ATOM 0 H GLY A 70 5.282 20.236 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.306 21.023 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.493 21.102 1.359 1.00 0.00 H new TER 1120 GLY A 70