USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 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 45 GLN :FLIP amide:sc= -0.388 F(o=-5.5,f=-3.5) USER MOD Set 1.2: A 67 GLN : amide:sc= -3.1 K(o=-3.5,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 49:sc= 1.15 USER MOD Single : A 23 GLN : amide:sc= -1.17 K(o=-1.2,f=-5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -9.61! C(o=-9.6!,f=-19!) USER MOD Single : A 34 GLN : amide:sc= -0.0957 K(o=-0.096,f=-1.5) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -58:sc= 0.436 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.758 -36.813 1.488 1.00 0.00 N ATOM 2 CA GLY A 1 -1.839 -36.815 0.517 1.00 0.00 C ATOM 3 C GLY A 1 -2.817 -35.669 0.783 1.00 0.00 C ATOM 4 O GLY A 1 -3.830 -35.855 1.456 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.108 -37.600 1.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.240 -35.913 1.429 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.150 -36.925 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.429 -36.722 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.368 -37.767 0.559 1.00 0.00 H new ATOM 8 N SER A 2 -2.480 -34.508 0.241 1.00 0.00 N ATOM 9 CA SER A 2 -3.315 -33.331 0.411 1.00 0.00 C ATOM 10 C SER A 2 -4.355 -33.262 -0.709 1.00 0.00 C ATOM 11 O SER A 2 -4.028 -33.457 -1.879 1.00 0.00 O ATOM 12 CB SER A 2 -2.472 -32.055 0.432 1.00 0.00 C ATOM 13 OG SER A 2 -3.169 -30.964 1.028 1.00 0.00 O ATOM 0 H SER A 2 -1.639 -34.357 -0.317 1.00 0.00 H new ATOM 0 HA SER A 2 -3.827 -33.411 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.549 -32.239 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.189 -31.791 -0.587 1.00 0.00 H new ATOM 0 HG SER A 2 -2.596 -30.169 1.024 1.00 0.00 H new ATOM 19 N SER A 3 -5.588 -32.983 -0.312 1.00 0.00 N ATOM 20 CA SER A 3 -6.678 -32.886 -1.268 1.00 0.00 C ATOM 21 C SER A 3 -6.890 -31.426 -1.673 1.00 0.00 C ATOM 22 O SER A 3 -7.430 -31.146 -2.742 1.00 0.00 O ATOM 23 CB SER A 3 -7.970 -33.469 -0.691 1.00 0.00 C ATOM 24 OG SER A 3 -8.633 -34.321 -1.622 1.00 0.00 O ATOM 0 H SER A 3 -5.856 -32.821 0.659 1.00 0.00 H new ATOM 0 HA SER A 3 -6.411 -33.467 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.742 -34.030 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.638 -32.657 -0.403 1.00 0.00 H new ATOM 0 HG SER A 3 -9.452 -34.675 -1.216 1.00 0.00 H new ATOM 30 N GLY A 4 -6.454 -30.532 -0.797 1.00 0.00 N ATOM 31 CA GLY A 4 -6.588 -29.108 -1.050 1.00 0.00 C ATOM 32 C GLY A 4 -8.051 -28.670 -0.953 1.00 0.00 C ATOM 33 O GLY A 4 -8.954 -29.504 -0.957 1.00 0.00 O ATOM 0 H GLY A 4 -6.007 -30.767 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.989 -28.549 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.199 -28.873 -2.041 1.00 0.00 H new ATOM 37 N SER A 5 -8.239 -27.361 -0.866 1.00 0.00 N ATOM 38 CA SER A 5 -9.576 -26.802 -0.768 1.00 0.00 C ATOM 39 C SER A 5 -10.112 -26.477 -2.164 1.00 0.00 C ATOM 40 O SER A 5 -9.567 -25.620 -2.858 1.00 0.00 O ATOM 41 CB SER A 5 -9.586 -25.548 0.109 1.00 0.00 C ATOM 42 OG SER A 5 -9.986 -25.835 1.446 1.00 0.00 O ATOM 0 H SER A 5 -7.487 -26.672 -0.861 1.00 0.00 H new ATOM 0 HA SER A 5 -10.223 -27.545 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.591 -25.102 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.263 -24.810 -0.321 1.00 0.00 H new ATOM 0 HG SER A 5 -9.978 -25.010 1.974 1.00 0.00 H new ATOM 48 N SER A 6 -11.173 -27.179 -2.534 1.00 0.00 N ATOM 49 CA SER A 6 -11.788 -26.976 -3.835 1.00 0.00 C ATOM 50 C SER A 6 -12.270 -25.530 -3.965 1.00 0.00 C ATOM 51 O SER A 6 -13.141 -25.092 -3.215 1.00 0.00 O ATOM 52 CB SER A 6 -12.952 -27.945 -4.051 1.00 0.00 C ATOM 53 OG SER A 6 -12.638 -28.951 -5.011 1.00 0.00 O ATOM 0 H SER A 6 -11.622 -27.889 -1.956 1.00 0.00 H new ATOM 0 HA SER A 6 -11.039 -27.173 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.212 -28.417 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.830 -27.390 -4.382 1.00 0.00 H new ATOM 0 HG SER A 6 -13.406 -29.551 -5.119 1.00 0.00 H new ATOM 59 N GLY A 7 -11.683 -24.828 -4.924 1.00 0.00 N ATOM 60 CA GLY A 7 -12.042 -23.441 -5.162 1.00 0.00 C ATOM 61 C GLY A 7 -12.519 -23.238 -6.602 1.00 0.00 C ATOM 62 O GLY A 7 -13.685 -23.477 -6.913 1.00 0.00 O ATOM 0 H GLY A 7 -10.961 -25.194 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.828 -23.141 -4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.182 -22.800 -4.966 1.00 0.00 H new ATOM 66 N SER A 8 -11.593 -22.798 -7.442 1.00 0.00 N ATOM 67 CA SER A 8 -11.904 -22.560 -8.841 1.00 0.00 C ATOM 68 C SER A 8 -11.543 -23.792 -9.674 1.00 0.00 C ATOM 69 O SER A 8 -12.405 -24.380 -10.325 1.00 0.00 O ATOM 70 CB SER A 8 -11.167 -21.328 -9.368 1.00 0.00 C ATOM 71 OG SER A 8 -12.020 -20.189 -9.449 1.00 0.00 O ATOM 0 H SER A 8 -10.627 -22.600 -7.180 1.00 0.00 H new ATOM 0 HA SER A 8 -12.974 -22.372 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.324 -21.103 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.758 -21.545 -10.355 1.00 0.00 H new ATOM 0 HG SER A 8 -11.512 -19.423 -9.788 1.00 0.00 H new ATOM 77 N ARG A 9 -10.266 -24.145 -9.627 1.00 0.00 N ATOM 78 CA ARG A 9 -9.780 -25.295 -10.370 1.00 0.00 C ATOM 79 C ARG A 9 -8.409 -25.724 -9.845 1.00 0.00 C ATOM 80 O ARG A 9 -7.392 -25.126 -10.193 1.00 0.00 O ATOM 81 CB ARG A 9 -9.672 -24.981 -11.863 1.00 0.00 C ATOM 82 CG ARG A 9 -10.890 -25.508 -12.624 1.00 0.00 C ATOM 83 CD ARG A 9 -11.651 -24.366 -13.300 1.00 0.00 C ATOM 84 NE ARG A 9 -12.039 -24.759 -14.673 1.00 0.00 N ATOM 85 CZ ARG A 9 -13.066 -25.570 -14.961 1.00 0.00 C ATOM 86 NH1 ARG A 9 -13.814 -26.080 -13.973 1.00 0.00 N ATOM 87 NH2 ARG A 9 -13.344 -25.873 -16.236 1.00 0.00 N ATOM 0 H ARG A 9 -9.554 -23.655 -9.086 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.496 -26.106 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.587 -23.904 -12.006 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.764 -25.429 -12.268 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.570 -26.231 -13.375 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.552 -26.035 -11.937 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.539 -24.116 -12.720 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.029 -23.472 -13.331 1.00 0.00 H new ATOM 0 HE ARG A 9 -11.490 -24.389 -15.449 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.601 -25.851 -13.002 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.596 -26.697 -14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.774 -25.486 -16.988 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.126 -26.490 -16.455 1.00 0.00 H new ATOM 101 N GLN A 10 -8.424 -26.758 -9.016 1.00 0.00 N ATOM 102 CA GLN A 10 -7.194 -27.274 -8.440 1.00 0.00 C ATOM 103 C GLN A 10 -6.565 -26.233 -7.512 1.00 0.00 C ATOM 104 O GLN A 10 -6.638 -25.034 -7.777 1.00 0.00 O ATOM 105 CB GLN A 10 -6.212 -27.698 -9.534 1.00 0.00 C ATOM 106 CG GLN A 10 -5.229 -28.747 -9.012 1.00 0.00 C ATOM 107 CD GLN A 10 -5.753 -30.163 -9.265 1.00 0.00 C ATOM 108 OE1 GLN A 10 -6.945 -30.421 -9.262 1.00 0.00 O ATOM 109 NE2 GLN A 10 -4.797 -31.062 -9.483 1.00 0.00 N ATOM 0 H GLN A 10 -9.269 -27.252 -8.730 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.435 -28.159 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.762 -28.101 -10.385 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.663 -26.827 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.263 -28.620 -9.500 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.068 -28.600 -7.944 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.817 -30.778 -9.471 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.044 -32.035 -9.662 1.00 0.00 H new ATOM 118 N ALA A 11 -5.961 -26.730 -6.442 1.00 0.00 N ATOM 119 CA ALA A 11 -5.320 -25.858 -5.473 1.00 0.00 C ATOM 120 C ALA A 11 -3.818 -26.150 -5.445 1.00 0.00 C ATOM 121 O ALA A 11 -3.406 -27.273 -5.159 1.00 0.00 O ATOM 122 CB ALA A 11 -5.976 -26.046 -4.104 1.00 0.00 C ATOM 0 H ALA A 11 -5.902 -27.725 -6.225 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.447 -24.813 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.495 -25.392 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.035 -25.797 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.866 -27.083 -3.787 1.00 0.00 H new ATOM 128 N PRO A 12 -3.021 -25.093 -5.754 1.00 0.00 N ATOM 129 CA PRO A 12 -1.574 -25.226 -5.768 1.00 0.00 C ATOM 130 C PRO A 12 -1.015 -25.275 -4.344 1.00 0.00 C ATOM 131 O PRO A 12 -1.710 -24.934 -3.388 1.00 0.00 O ATOM 132 CB PRO A 12 -1.076 -24.028 -6.560 1.00 0.00 C ATOM 133 CG PRO A 12 -2.220 -23.026 -6.563 1.00 0.00 C ATOM 134 CD PRO A 12 -3.474 -23.748 -6.099 1.00 0.00 C ATOM 0 HA PRO A 12 -1.241 -26.157 -6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.184 -23.601 -6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.806 -24.316 -7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.995 -22.188 -5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.364 -22.614 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.923 -23.249 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.230 -23.774 -6.884 1.00 0.00 H new ATOM 142 N ILE A 13 0.236 -25.702 -4.248 1.00 0.00 N ATOM 143 CA ILE A 13 0.896 -25.800 -2.958 1.00 0.00 C ATOM 144 C ILE A 13 1.861 -24.625 -2.793 1.00 0.00 C ATOM 145 O ILE A 13 2.899 -24.572 -3.450 1.00 0.00 O ATOM 146 CB ILE A 13 1.561 -27.169 -2.799 1.00 0.00 C ATOM 147 CG1 ILE A 13 0.520 -28.290 -2.815 1.00 0.00 C ATOM 148 CG2 ILE A 13 2.432 -27.213 -1.542 1.00 0.00 C ATOM 149 CD1 ILE A 13 1.183 -29.652 -3.029 1.00 0.00 C ATOM 0 H ILE A 13 0.809 -25.984 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 13 0.167 -25.730 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 13 2.220 -27.330 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.030 -28.293 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.205 -28.106 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.893 -28.197 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.210 -26.453 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.815 -27.021 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.420 -30.431 -3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.712 -29.653 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.890 -29.844 -2.222 1.00 0.00 H new ATOM 161 N ALA A 14 1.484 -23.711 -1.910 1.00 0.00 N ATOM 162 CA ALA A 14 2.304 -22.539 -1.650 1.00 0.00 C ATOM 163 C ALA A 14 2.290 -22.235 -0.151 1.00 0.00 C ATOM 164 O ALA A 14 1.674 -21.263 0.284 1.00 0.00 O ATOM 165 CB ALA A 14 1.795 -21.364 -2.488 1.00 0.00 C ATOM 0 H ALA A 14 0.622 -23.758 -1.366 1.00 0.00 H new ATOM 0 HA ALA A 14 3.339 -22.722 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.410 -20.485 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.852 -21.620 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.760 -21.149 -2.222 1.00 0.00 H new ATOM 171 N ASN A 15 2.977 -23.085 0.599 1.00 0.00 N ATOM 172 CA ASN A 15 3.052 -22.920 2.040 1.00 0.00 C ATOM 173 C ASN A 15 4.438 -22.392 2.417 1.00 0.00 C ATOM 174 O ASN A 15 5.391 -22.539 1.654 1.00 0.00 O ATOM 175 CB ASN A 15 2.843 -24.254 2.759 1.00 0.00 C ATOM 176 CG ASN A 15 1.443 -24.332 3.373 1.00 0.00 C ATOM 177 OD1 ASN A 15 0.519 -24.889 2.805 1.00 0.00 O ATOM 178 ND2 ASN A 15 1.341 -23.744 4.562 1.00 0.00 N ATOM 0 H ASN A 15 3.487 -23.890 0.235 1.00 0.00 H new ATOM 0 HA ASN A 15 2.270 -22.222 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.982 -25.076 2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.594 -24.372 3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.448 -23.742 5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.156 -23.295 4.981 1.00 0.00 H new ATOM 185 N ALA A 16 4.506 -21.788 3.595 1.00 0.00 N ATOM 186 CA ALA A 16 5.759 -21.238 4.083 1.00 0.00 C ATOM 187 C ALA A 16 6.737 -22.380 4.365 1.00 0.00 C ATOM 188 O ALA A 16 6.468 -23.240 5.203 1.00 0.00 O ATOM 189 CB ALA A 16 5.492 -20.379 5.320 1.00 0.00 C ATOM 0 H ALA A 16 3.713 -21.668 4.225 1.00 0.00 H new ATOM 0 HA ALA A 16 6.214 -20.593 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.432 -19.966 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.816 -19.565 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.038 -20.993 6.098 1.00 0.00 H new ATOM 195 N ALA A 17 7.852 -22.352 3.650 1.00 0.00 N ATOM 196 CA ALA A 17 8.871 -23.375 3.814 1.00 0.00 C ATOM 197 C ALA A 17 10.050 -22.793 4.598 1.00 0.00 C ATOM 198 O ALA A 17 10.353 -21.607 4.480 1.00 0.00 O ATOM 199 CB ALA A 17 9.289 -23.904 2.441 1.00 0.00 C ATOM 0 H ALA A 17 8.072 -21.638 2.956 1.00 0.00 H new ATOM 0 HA ALA A 17 8.480 -24.218 4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.053 -24.671 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.423 -24.332 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.689 -23.086 1.842 1.00 0.00 H new ATOM 205 N VAL A 18 10.682 -23.656 5.380 1.00 0.00 N ATOM 206 CA VAL A 18 11.820 -23.242 6.183 1.00 0.00 C ATOM 207 C VAL A 18 13.074 -23.214 5.307 1.00 0.00 C ATOM 208 O VAL A 18 13.507 -24.249 4.802 1.00 0.00 O ATOM 209 CB VAL A 18 11.963 -24.159 7.400 1.00 0.00 C ATOM 210 CG1 VAL A 18 12.419 -25.558 6.983 1.00 0.00 C ATOM 211 CG2 VAL A 18 12.917 -23.555 8.432 1.00 0.00 C ATOM 0 H VAL A 18 10.428 -24.639 5.475 1.00 0.00 H new ATOM 0 HA VAL A 18 11.669 -22.233 6.568 1.00 0.00 H new ATOM 0 HB VAL A 18 10.982 -24.253 7.866 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.512 -26.189 7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.686 -25.992 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.384 -25.492 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.001 -24.226 9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 18 13.900 -23.416 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.531 -22.591 8.764 1.00 0.00 H new ATOM 221 N LEU A 19 13.622 -22.017 5.152 1.00 0.00 N ATOM 222 CA LEU A 19 14.817 -21.840 4.345 1.00 0.00 C ATOM 223 C LEU A 19 16.038 -21.750 5.263 1.00 0.00 C ATOM 224 O LEU A 19 15.946 -21.233 6.375 1.00 0.00 O ATOM 225 CB LEU A 19 14.660 -20.639 3.410 1.00 0.00 C ATOM 226 CG LEU A 19 13.625 -20.790 2.293 1.00 0.00 C ATOM 227 CD1 LEU A 19 13.062 -19.428 1.881 1.00 0.00 C ATOM 228 CD2 LEU A 19 14.211 -21.552 1.103 1.00 0.00 C ATOM 0 H LEU A 19 13.260 -21.161 5.572 1.00 0.00 H new ATOM 0 HA LEU A 19 14.969 -22.702 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.394 -19.769 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.628 -20.428 2.955 1.00 0.00 H new ATOM 0 HG LEU A 19 12.792 -21.381 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.329 -19.563 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.584 -18.957 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.872 -18.792 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.455 -21.646 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.071 -21.009 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.525 -22.545 1.425 1.00 0.00 H new ATOM 240 N PRO A 20 17.183 -22.275 4.749 1.00 0.00 N ATOM 241 CA PRO A 20 18.421 -22.258 5.510 1.00 0.00 C ATOM 242 C PRO A 20 19.032 -20.856 5.532 1.00 0.00 C ATOM 243 O PRO A 20 18.466 -19.919 4.970 1.00 0.00 O ATOM 244 CB PRO A 20 19.313 -23.285 4.832 1.00 0.00 C ATOM 245 CG PRO A 20 18.723 -23.500 3.448 1.00 0.00 C ATOM 246 CD PRO A 20 17.329 -22.895 3.436 1.00 0.00 C ATOM 0 HA PRO A 20 18.273 -22.510 6.560 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.341 -22.928 4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 20 19.335 -24.217 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 20 19.349 -23.031 2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 20 18.680 -24.563 3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 20 17.223 -22.161 2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 20 16.568 -23.658 3.271 1.00 0.00 H new ATOM 254 N GLN A 21 20.180 -20.755 6.186 1.00 0.00 N ATOM 255 CA GLN A 21 20.874 -19.483 6.289 1.00 0.00 C ATOM 256 C GLN A 21 20.998 -18.833 4.909 1.00 0.00 C ATOM 257 O GLN A 21 21.650 -19.377 4.019 1.00 0.00 O ATOM 258 CB GLN A 21 22.249 -19.659 6.937 1.00 0.00 C ATOM 259 CG GLN A 21 22.992 -18.324 7.019 1.00 0.00 C ATOM 260 CD GLN A 21 24.496 -18.543 7.191 1.00 0.00 C ATOM 261 OE1 GLN A 21 24.990 -18.817 8.273 1.00 0.00 O ATOM 262 NE2 GLN A 21 25.195 -18.408 6.068 1.00 0.00 N ATOM 0 H GLN A 21 20.647 -21.534 6.650 1.00 0.00 H new ATOM 0 HA GLN A 21 20.289 -18.823 6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.133 -20.076 7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.838 -20.372 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 21 22.806 -17.744 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 21 22.608 -17.741 7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 21 24.719 -18.178 5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.207 -18.535 6.079 1.00 0.00 H new ATOM 271 N SER A 22 20.361 -17.679 4.774 1.00 0.00 N ATOM 272 CA SER A 22 20.392 -16.950 3.518 1.00 0.00 C ATOM 273 C SER A 22 20.125 -15.464 3.769 1.00 0.00 C ATOM 274 O SER A 22 19.014 -14.984 3.551 1.00 0.00 O ATOM 275 CB SER A 22 19.369 -17.513 2.529 1.00 0.00 C ATOM 276 OG SER A 22 18.029 -17.294 2.964 1.00 0.00 O ATOM 0 H SER A 22 19.820 -17.231 5.514 1.00 0.00 H new ATOM 0 HA SER A 22 21.383 -17.066 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.514 -17.048 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.539 -18.582 2.401 1.00 0.00 H new ATOM 0 HG SER A 22 17.921 -16.358 3.232 1.00 0.00 H new ATOM 282 N GLN A 23 21.163 -14.778 4.224 1.00 0.00 N ATOM 283 CA GLN A 23 21.055 -13.357 4.507 1.00 0.00 C ATOM 284 C GLN A 23 20.267 -13.131 5.799 1.00 0.00 C ATOM 285 O GLN A 23 20.767 -12.509 6.735 1.00 0.00 O ATOM 286 CB GLN A 23 20.412 -12.612 3.336 1.00 0.00 C ATOM 287 CG GLN A 23 21.391 -11.612 2.718 1.00 0.00 C ATOM 288 CD GLN A 23 22.606 -12.328 2.125 1.00 0.00 C ATOM 289 OE1 GLN A 23 23.306 -13.073 2.792 1.00 0.00 O ATOM 290 NE2 GLN A 23 22.816 -12.063 0.839 1.00 0.00 N ATOM 0 H GLN A 23 22.083 -15.180 4.404 1.00 0.00 H new ATOM 0 HA GLN A 23 22.060 -12.956 4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.090 -13.327 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 23 19.520 -12.088 3.679 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.887 -11.038 1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 23 21.718 -10.901 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 23 22.191 -11.430 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 23 23.602 -12.493 0.351 1.00 0.00 H new ATOM 299 N GLY A 24 19.048 -13.650 5.810 1.00 0.00 N ATOM 300 CA GLY A 24 18.186 -13.513 6.972 1.00 0.00 C ATOM 301 C GLY A 24 17.251 -12.311 6.822 1.00 0.00 C ATOM 302 O GLY A 24 17.469 -11.270 7.440 1.00 0.00 O ATOM 0 H GLY A 24 18.637 -14.166 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.598 -14.422 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.794 -13.395 7.869 1.00 0.00 H new ATOM 306 N ARG A 25 16.230 -12.495 5.998 1.00 0.00 N ATOM 307 CA ARG A 25 15.261 -11.439 5.760 1.00 0.00 C ATOM 308 C ARG A 25 14.529 -11.088 7.057 1.00 0.00 C ATOM 309 O ARG A 25 14.369 -11.936 7.933 1.00 0.00 O ATOM 310 CB ARG A 25 14.238 -11.858 4.702 1.00 0.00 C ATOM 311 CG ARG A 25 14.868 -11.876 3.308 1.00 0.00 C ATOM 312 CD ARG A 25 14.459 -13.133 2.538 1.00 0.00 C ATOM 313 NE ARG A 25 13.726 -12.758 1.308 1.00 0.00 N ATOM 314 CZ ARG A 25 13.192 -13.641 0.453 1.00 0.00 C ATOM 315 NH1 ARG A 25 13.306 -14.955 0.688 1.00 0.00 N ATOM 316 NH2 ARG A 25 12.543 -13.209 -0.637 1.00 0.00 N ATOM 0 H ARG A 25 16.053 -13.360 5.487 1.00 0.00 H new ATOM 0 HA ARG A 25 15.804 -10.566 5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.846 -12.847 4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.393 -11.169 4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 25 14.560 -10.989 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.954 -11.836 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.344 -13.716 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.832 -13.766 3.166 1.00 0.00 H new ATOM 0 HE ARG A 25 13.621 -11.765 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.799 -15.284 1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.899 -15.627 0.037 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.456 -12.209 -0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.136 -13.881 -1.288 1.00 0.00 H new ATOM 330 N VAL A 26 14.103 -9.836 7.138 1.00 0.00 N ATOM 331 CA VAL A 26 13.391 -9.363 8.313 1.00 0.00 C ATOM 332 C VAL A 26 11.997 -8.885 7.901 1.00 0.00 C ATOM 333 O VAL A 26 11.787 -8.483 6.758 1.00 0.00 O ATOM 334 CB VAL A 26 14.209 -8.280 9.019 1.00 0.00 C ATOM 335 CG1 VAL A 26 14.891 -7.359 8.005 1.00 0.00 C ATOM 336 CG2 VAL A 26 13.338 -7.479 9.989 1.00 0.00 C ATOM 0 H VAL A 26 14.237 -9.135 6.409 1.00 0.00 H new ATOM 0 HA VAL A 26 13.259 -10.172 9.031 1.00 0.00 H new ATOM 0 HB VAL A 26 14.988 -8.774 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.466 -6.598 8.533 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.559 -7.945 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.135 -6.877 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.944 -6.716 10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 26 12.527 -7.001 9.440 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.922 -8.148 10.742 1.00 0.00 H new ATOM 346 N ALA A 27 11.080 -8.946 8.856 1.00 0.00 N ATOM 347 CA ALA A 27 9.711 -8.525 8.607 1.00 0.00 C ATOM 348 C ALA A 27 9.424 -7.246 9.395 1.00 0.00 C ATOM 349 O ALA A 27 9.963 -7.050 10.484 1.00 0.00 O ATOM 350 CB ALA A 27 8.753 -9.662 8.970 1.00 0.00 C ATOM 0 H ALA A 27 11.258 -9.280 9.803 1.00 0.00 H new ATOM 0 HA ALA A 27 9.564 -8.301 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.727 -9.346 8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.980 -10.537 8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.869 -9.913 10.024 1.00 0.00 H new ATOM 356 N ALA A 28 8.577 -6.409 8.815 1.00 0.00 N ATOM 357 CA ALA A 28 8.212 -5.154 9.450 1.00 0.00 C ATOM 358 C ALA A 28 9.468 -4.302 9.645 1.00 0.00 C ATOM 359 O ALA A 28 10.081 -4.328 10.711 1.00 0.00 O ATOM 360 CB ALA A 28 7.491 -5.440 10.769 1.00 0.00 C ATOM 0 H ALA A 28 8.133 -6.575 7.912 1.00 0.00 H new ATOM 0 HA ALA A 28 7.525 -4.590 8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.217 -4.499 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.591 -6.023 10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.151 -6.003 11.430 1.00 0.00 H new ATOM 366 N SER A 29 9.813 -3.566 8.599 1.00 0.00 N ATOM 367 CA SER A 29 10.984 -2.708 8.641 1.00 0.00 C ATOM 368 C SER A 29 10.560 -1.239 8.581 1.00 0.00 C ATOM 369 O SER A 29 9.748 -0.858 7.738 1.00 0.00 O ATOM 370 CB SER A 29 11.945 -3.030 7.495 1.00 0.00 C ATOM 371 OG SER A 29 12.283 -4.414 7.454 1.00 0.00 O ATOM 0 H SER A 29 9.301 -3.546 7.717 1.00 0.00 H new ATOM 0 HA SER A 29 11.507 -2.890 9.580 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.490 -2.740 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.853 -2.438 7.607 1.00 0.00 H new ATOM 0 HG SER A 29 12.897 -4.579 6.708 1.00 0.00 H new ATOM 377 N GLU A 30 11.127 -0.454 9.485 1.00 0.00 N ATOM 378 CA GLU A 30 10.817 0.964 9.545 1.00 0.00 C ATOM 379 C GLU A 30 10.653 1.532 8.134 1.00 0.00 C ATOM 380 O GLU A 30 9.648 2.174 7.832 1.00 0.00 O ATOM 381 CB GLU A 30 11.891 1.727 10.322 1.00 0.00 C ATOM 382 CG GLU A 30 11.359 3.076 10.813 1.00 0.00 C ATOM 383 CD GLU A 30 12.255 4.223 10.341 1.00 0.00 C ATOM 384 OE1 GLU A 30 12.658 4.178 9.158 1.00 0.00 O ATOM 385 OE2 GLU A 30 12.515 5.118 11.173 1.00 0.00 O ATOM 0 H GLU A 30 11.800 -0.773 10.182 1.00 0.00 H new ATOM 0 HA GLU A 30 9.874 1.088 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.222 1.131 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.762 1.885 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.344 3.227 10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.306 3.076 11.902 1.00 0.00 H new ATOM 392 N GLU A 31 11.656 1.274 7.307 1.00 0.00 N ATOM 393 CA GLU A 31 11.636 1.752 5.935 1.00 0.00 C ATOM 394 C GLU A 31 10.244 1.565 5.328 1.00 0.00 C ATOM 395 O GLU A 31 9.656 2.514 4.811 1.00 0.00 O ATOM 396 CB GLU A 31 12.700 1.046 5.093 1.00 0.00 C ATOM 397 CG GLU A 31 13.562 2.059 4.336 1.00 0.00 C ATOM 398 CD GLU A 31 14.005 1.499 2.983 1.00 0.00 C ATOM 399 OE1 GLU A 31 14.369 0.303 2.955 1.00 0.00 O ATOM 400 OE2 GLU A 31 13.970 2.279 2.007 1.00 0.00 O ATOM 0 H GLU A 31 12.487 0.740 7.561 1.00 0.00 H new ATOM 0 HA GLU A 31 11.870 2.817 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.332 0.435 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.219 0.371 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.999 2.980 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.438 2.314 4.932 1.00 0.00 H new ATOM 407 N GLN A 32 9.757 0.336 5.412 1.00 0.00 N ATOM 408 CA GLN A 32 8.445 0.012 4.877 1.00 0.00 C ATOM 409 C GLN A 32 7.358 0.762 5.649 1.00 0.00 C ATOM 410 O GLN A 32 6.594 1.530 5.066 1.00 0.00 O ATOM 411 CB GLN A 32 8.197 -1.497 4.909 1.00 0.00 C ATOM 412 CG GLN A 32 9.394 -2.261 4.338 1.00 0.00 C ATOM 413 CD GLN A 32 9.946 -1.564 3.093 1.00 0.00 C ATOM 414 OE1 GLN A 32 10.425 -0.443 3.138 1.00 0.00 O ATOM 415 NE2 GLN A 32 9.853 -2.289 1.981 1.00 0.00 N ATOM 0 H GLN A 32 10.247 -0.448 5.843 1.00 0.00 H new ATOM 0 HA GLN A 32 8.410 0.331 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.012 -1.817 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.302 -1.734 4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.176 -2.336 5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.094 -3.278 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.441 -3.221 2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.194 -1.912 1.097 1.00 0.00 H new ATOM 424 N ILE A 33 7.322 0.514 6.951 1.00 0.00 N ATOM 425 CA ILE A 33 6.341 1.157 7.808 1.00 0.00 C ATOM 426 C ILE A 33 6.229 2.635 7.429 1.00 0.00 C ATOM 427 O ILE A 33 5.128 3.181 7.367 1.00 0.00 O ATOM 428 CB ILE A 33 6.684 0.924 9.281 1.00 0.00 C ATOM 429 CG1 ILE A 33 6.459 -0.538 9.672 1.00 0.00 C ATOM 430 CG2 ILE A 33 5.905 1.884 10.183 1.00 0.00 C ATOM 431 CD1 ILE A 33 7.674 -1.100 10.414 1.00 0.00 C ATOM 0 H ILE A 33 7.957 -0.123 7.432 1.00 0.00 H new ATOM 0 HA ILE A 33 5.356 0.715 7.659 1.00 0.00 H new ATOM 0 HB ILE A 33 7.744 1.136 9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.574 -0.617 10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.267 -1.132 8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.167 1.698 11.225 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.157 2.912 9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.835 1.727 10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.488 -2.140 10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.552 -1.041 9.771 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.848 -0.519 11.320 1.00 0.00 H new ATOM 443 N GLN A 34 7.382 3.240 7.186 1.00 0.00 N ATOM 444 CA GLN A 34 7.426 4.644 6.815 1.00 0.00 C ATOM 445 C GLN A 34 6.963 4.825 5.368 1.00 0.00 C ATOM 446 O GLN A 34 6.243 5.773 5.057 1.00 0.00 O ATOM 447 CB GLN A 34 8.829 5.220 7.018 1.00 0.00 C ATOM 448 CG GLN A 34 9.270 5.087 8.477 1.00 0.00 C ATOM 449 CD GLN A 34 8.495 6.053 9.375 1.00 0.00 C ATOM 450 OE1 GLN A 34 7.804 6.948 8.917 1.00 0.00 O ATOM 451 NE2 GLN A 34 8.646 5.822 10.676 1.00 0.00 N ATOM 0 H GLN A 34 8.293 2.784 7.239 1.00 0.00 H new ATOM 0 HA GLN A 34 6.745 5.194 7.465 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.536 4.700 6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.841 6.270 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.112 4.063 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.338 5.288 8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.240 5.055 10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.168 6.412 11.357 1.00 0.00 H new ATOM 460 N LYS A 35 7.396 3.902 4.521 1.00 0.00 N ATOM 461 CA LYS A 35 7.034 3.948 3.115 1.00 0.00 C ATOM 462 C LYS A 35 5.514 3.846 2.980 1.00 0.00 C ATOM 463 O LYS A 35 4.939 4.342 2.012 1.00 0.00 O ATOM 464 CB LYS A 35 7.794 2.876 2.331 1.00 0.00 C ATOM 465 CG LYS A 35 8.899 3.501 1.477 1.00 0.00 C ATOM 466 CD LYS A 35 10.060 2.524 1.281 1.00 0.00 C ATOM 467 CE LYS A 35 10.028 1.907 -0.119 1.00 0.00 C ATOM 468 NZ LYS A 35 11.260 1.127 -0.370 1.00 0.00 N ATOM 0 H LYS A 35 7.994 3.118 4.782 1.00 0.00 H new ATOM 0 HA LYS A 35 7.330 4.901 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.228 2.154 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.101 2.328 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.494 3.790 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.262 4.411 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.006 3.043 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.007 1.735 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.155 1.262 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.930 2.693 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.222 0.715 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.088 1.752 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.337 0.365 0.333 1.00 0.00 H new ATOM 482 N LEU A 36 4.906 3.200 3.964 1.00 0.00 N ATOM 483 CA LEU A 36 3.463 3.027 3.967 1.00 0.00 C ATOM 484 C LEU A 36 2.824 4.129 4.814 1.00 0.00 C ATOM 485 O LEU A 36 1.913 4.818 4.358 1.00 0.00 O ATOM 486 CB LEU A 36 3.094 1.612 4.417 1.00 0.00 C ATOM 487 CG LEU A 36 3.572 0.474 3.513 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.102 -0.882 4.044 1.00 0.00 C ATOM 489 CD2 LEU A 36 3.135 0.705 2.065 1.00 0.00 C ATOM 0 H LEU A 36 5.386 2.790 4.765 1.00 0.00 H new ATOM 0 HA LEU A 36 3.064 3.129 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.501 1.452 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.009 1.551 4.502 1.00 0.00 H new ATOM 0 HG LEU A 36 4.662 0.464 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.455 -1.674 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.503 -1.039 5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.013 -0.900 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.487 -0.118 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.047 0.756 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.559 1.641 1.702 1.00 0.00 H new ATOM 501 N VAL A 37 3.326 4.261 6.033 1.00 0.00 N ATOM 502 CA VAL A 37 2.815 5.267 6.948 1.00 0.00 C ATOM 503 C VAL A 37 2.778 6.623 6.240 1.00 0.00 C ATOM 504 O VAL A 37 1.883 7.430 6.483 1.00 0.00 O ATOM 505 CB VAL A 37 3.653 5.284 8.228 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.408 6.566 9.027 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.376 4.045 9.081 1.00 0.00 C ATOM 0 H VAL A 37 4.082 3.688 6.408 1.00 0.00 H new ATOM 0 HA VAL A 37 1.794 5.028 7.247 1.00 0.00 H new ATOM 0 HB VAL A 37 4.704 5.264 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.016 6.553 9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.679 7.430 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.354 6.630 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.984 4.082 9.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.321 4.020 9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.625 3.149 8.513 1.00 0.00 H new ATOM 517 N ALA A 38 3.762 6.831 5.377 1.00 0.00 N ATOM 518 CA ALA A 38 3.854 8.075 4.632 1.00 0.00 C ATOM 519 C ALA A 38 2.655 8.188 3.688 1.00 0.00 C ATOM 520 O ALA A 38 2.176 9.288 3.416 1.00 0.00 O ATOM 521 CB ALA A 38 5.189 8.127 3.887 1.00 0.00 C ATOM 0 H ALA A 38 4.503 6.159 5.177 1.00 0.00 H new ATOM 0 HA ALA A 38 3.824 8.930 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.258 9.060 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.008 8.072 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.254 7.286 3.197 1.00 0.00 H new ATOM 527 N MET A 39 2.204 7.036 3.215 1.00 0.00 N ATOM 528 CA MET A 39 1.070 6.992 2.307 1.00 0.00 C ATOM 529 C MET A 39 -0.239 7.257 3.053 1.00 0.00 C ATOM 530 O MET A 39 -1.204 7.744 2.466 1.00 0.00 O ATOM 531 CB MET A 39 1.007 5.618 1.636 1.00 0.00 C ATOM 532 CG MET A 39 2.272 5.348 0.819 1.00 0.00 C ATOM 533 SD MET A 39 1.897 5.404 -0.925 1.00 0.00 S ATOM 534 CE MET A 39 1.553 3.679 -1.224 1.00 0.00 C ATOM 0 H MET A 39 2.603 6.126 3.443 1.00 0.00 H new ATOM 0 HA MET A 39 1.200 7.769 1.553 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.888 4.844 2.394 1.00 0.00 H new ATOM 0 HB3 MET A 39 0.133 5.566 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.035 6.089 1.059 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.682 4.372 1.080 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.299 3.535 -2.274 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.433 3.085 -0.979 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.717 3.362 -0.601 1.00 0.00 H new ATOM 544 N GLY A 40 -0.231 6.924 4.335 1.00 0.00 N ATOM 545 CA GLY A 40 -1.406 7.120 5.167 1.00 0.00 C ATOM 546 C GLY A 40 -1.902 5.790 5.737 1.00 0.00 C ATOM 547 O GLY A 40 -3.076 5.449 5.596 1.00 0.00 O ATOM 0 H GLY A 40 0.571 6.519 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.169 7.803 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.198 7.586 4.580 1.00 0.00 H new ATOM 551 N PHE A 41 -0.984 5.074 6.369 1.00 0.00 N ATOM 552 CA PHE A 41 -1.313 3.789 6.961 1.00 0.00 C ATOM 553 C PHE A 41 -0.762 3.683 8.385 1.00 0.00 C ATOM 554 O PHE A 41 0.272 4.270 8.699 1.00 0.00 O ATOM 555 CB PHE A 41 -0.657 2.715 6.092 1.00 0.00 C ATOM 556 CG PHE A 41 -1.385 2.451 4.773 1.00 0.00 C ATOM 557 CD1 PHE A 41 -2.730 2.251 4.767 1.00 0.00 C ATOM 558 CD2 PHE A 41 -0.687 2.416 3.606 1.00 0.00 C ATOM 559 CE1 PHE A 41 -3.406 2.006 3.542 1.00 0.00 C ATOM 560 CE2 PHE A 41 -1.363 2.172 2.381 1.00 0.00 C ATOM 561 CZ PHE A 41 -2.709 1.972 2.375 1.00 0.00 C ATOM 0 H PHE A 41 -0.012 5.360 6.484 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.395 3.668 7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.369 3.014 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.605 1.785 6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.284 2.278 5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.381 2.574 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.474 1.847 3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.809 2.145 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.223 1.786 1.444 1.00 0.00 H new ATOM 571 N ASP A 42 -1.478 2.931 9.208 1.00 0.00 N ATOM 572 CA ASP A 42 -1.073 2.741 10.590 1.00 0.00 C ATOM 573 C ASP A 42 0.135 1.803 10.640 1.00 0.00 C ATOM 574 O ASP A 42 0.132 0.747 10.009 1.00 0.00 O ATOM 575 CB ASP A 42 -2.198 2.106 11.411 1.00 0.00 C ATOM 576 CG ASP A 42 -2.290 2.586 12.861 1.00 0.00 C ATOM 577 OD1 ASP A 42 -1.265 3.103 13.354 1.00 0.00 O ATOM 578 OD2 ASP A 42 -3.385 2.424 13.443 1.00 0.00 O ATOM 0 H ASP A 42 -2.336 2.446 8.944 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.829 3.718 11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.148 2.309 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.062 1.024 11.410 1.00 0.00 H new ATOM 583 N ARG A 43 1.140 2.224 11.395 1.00 0.00 N ATOM 584 CA ARG A 43 2.352 1.435 11.534 1.00 0.00 C ATOM 585 C ARG A 43 2.010 -0.055 11.613 1.00 0.00 C ATOM 586 O ARG A 43 2.671 -0.881 10.986 1.00 0.00 O ATOM 587 CB ARG A 43 3.131 1.839 12.787 1.00 0.00 C ATOM 588 CG ARG A 43 4.336 0.921 13.004 1.00 0.00 C ATOM 589 CD ARG A 43 5.418 1.623 13.827 1.00 0.00 C ATOM 590 NE ARG A 43 5.531 0.989 15.160 1.00 0.00 N ATOM 591 CZ ARG A 43 6.302 1.457 16.151 1.00 0.00 C ATOM 592 NH1 ARG A 43 7.033 2.564 15.966 1.00 0.00 N ATOM 593 NH2 ARG A 43 6.342 0.817 17.327 1.00 0.00 N ATOM 0 H ARG A 43 1.139 3.101 11.916 1.00 0.00 H new ATOM 0 HA ARG A 43 2.972 1.623 10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.468 2.871 12.693 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.475 1.796 13.657 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.018 0.012 13.515 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.746 0.619 12.040 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.374 1.569 13.307 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.175 2.680 13.937 1.00 0.00 H new ATOM 0 HE ARG A 43 4.988 0.143 15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.003 3.051 15.070 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.620 2.920 16.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.786 -0.026 17.468 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.929 1.173 18.082 1.00 0.00 H new ATOM 607 N THR A 44 0.977 -0.352 12.388 1.00 0.00 N ATOM 608 CA THR A 44 0.540 -1.727 12.557 1.00 0.00 C ATOM 609 C THR A 44 0.038 -2.294 11.228 1.00 0.00 C ATOM 610 O THR A 44 0.593 -3.264 10.714 1.00 0.00 O ATOM 611 CB THR A 44 -0.514 -1.755 13.666 1.00 0.00 C ATOM 612 OG1 THR A 44 0.198 -1.348 14.832 1.00 0.00 O ATOM 613 CG2 THR A 44 -0.983 -3.174 13.993 1.00 0.00 C ATOM 0 H THR A 44 0.430 0.336 12.906 1.00 0.00 H new ATOM 0 HA THR A 44 1.367 -2.371 12.858 1.00 0.00 H new ATOM 0 HB THR A 44 -1.370 -1.149 13.368 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.411 -1.337 15.600 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.730 -3.137 14.786 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.421 -3.627 13.103 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.133 -3.771 14.323 1.00 0.00 H new ATOM 621 N GLN A 45 -1.006 -1.664 10.709 1.00 0.00 N ATOM 622 CA GLN A 45 -1.589 -2.094 9.449 1.00 0.00 C ATOM 623 C GLN A 45 -0.488 -2.487 8.462 1.00 0.00 C ATOM 624 O GLN A 45 -0.684 -3.368 7.627 1.00 0.00 O ATOM 625 CB GLN A 45 -2.490 -1.005 8.862 1.00 0.00 C ATOM 626 CG GLN A 45 -3.631 -0.662 9.821 1.00 0.00 C ATOM 627 CD GLN A 45 -4.985 -0.745 9.113 1.00 0.00 C ATOM 628 OE1 GLN A 45 -5.597 -1.919 9.250 1.00 0.00 O flip ATOM 629 NE2 GLN A 45 -5.445 0.194 8.484 1.00 0.00 N flip ATOM 0 H GLN A 45 -1.463 -0.859 11.138 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.210 -2.970 9.638 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.901 -0.111 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.899 -1.341 7.909 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.617 -1.347 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.486 0.342 10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.923 1.068 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.351 0.105 8.024 1.00 0.00 H new ATOM 638 N VAL A 46 0.645 -1.814 8.590 1.00 0.00 N ATOM 639 CA VAL A 46 1.778 -2.081 7.720 1.00 0.00 C ATOM 640 C VAL A 46 2.412 -3.417 8.111 1.00 0.00 C ATOM 641 O VAL A 46 2.553 -4.310 7.277 1.00 0.00 O ATOM 642 CB VAL A 46 2.764 -0.913 7.770 1.00 0.00 C ATOM 643 CG1 VAL A 46 3.946 -1.153 6.829 1.00 0.00 C ATOM 644 CG2 VAL A 46 2.066 0.409 7.448 1.00 0.00 C ATOM 0 H VAL A 46 0.803 -1.083 9.284 1.00 0.00 H new ATOM 0 HA VAL A 46 1.451 -2.167 6.684 1.00 0.00 H new ATOM 0 HB VAL A 46 3.153 -0.847 8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.632 -0.308 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.467 -2.063 7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.582 -1.259 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.790 1.223 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.635 0.359 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.275 0.589 8.176 1.00 0.00 H new ATOM 654 N GLU A 47 2.778 -3.512 9.381 1.00 0.00 N ATOM 655 CA GLU A 47 3.394 -4.724 9.893 1.00 0.00 C ATOM 656 C GLU A 47 2.490 -5.930 9.634 1.00 0.00 C ATOM 657 O GLU A 47 2.908 -6.901 9.004 1.00 0.00 O ATOM 658 CB GLU A 47 3.714 -4.589 11.383 1.00 0.00 C ATOM 659 CG GLU A 47 4.726 -3.468 11.628 1.00 0.00 C ATOM 660 CD GLU A 47 5.645 -3.806 12.803 1.00 0.00 C ATOM 661 OE1 GLU A 47 5.139 -4.436 13.757 1.00 0.00 O ATOM 662 OE2 GLU A 47 6.833 -3.426 12.721 1.00 0.00 O ATOM 0 H GLU A 47 2.660 -2.769 10.070 1.00 0.00 H new ATOM 0 HA GLU A 47 4.335 -4.880 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.798 -4.385 11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.112 -5.531 11.760 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.322 -3.309 10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.199 -2.535 11.830 1.00 0.00 H new ATOM 669 N VAL A 48 1.266 -5.830 10.132 1.00 0.00 N ATOM 670 CA VAL A 48 0.299 -6.901 9.962 1.00 0.00 C ATOM 671 C VAL A 48 0.363 -7.417 8.523 1.00 0.00 C ATOM 672 O VAL A 48 0.697 -8.578 8.291 1.00 0.00 O ATOM 673 CB VAL A 48 -1.096 -6.414 10.361 1.00 0.00 C ATOM 674 CG1 VAL A 48 -1.344 -6.626 11.856 1.00 0.00 C ATOM 675 CG2 VAL A 48 -1.296 -4.947 9.974 1.00 0.00 C ATOM 0 H VAL A 48 0.922 -5.024 10.653 1.00 0.00 H new ATOM 0 HA VAL A 48 0.537 -7.738 10.618 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.828 -7.008 9.813 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.342 -6.272 12.113 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.264 -7.687 12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.603 -6.070 12.430 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.295 -4.626 10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.553 -4.332 10.482 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.183 -4.836 8.896 1.00 0.00 H new ATOM 685 N ALA A 49 0.038 -6.529 7.595 1.00 0.00 N ATOM 686 CA ALA A 49 0.055 -6.880 6.185 1.00 0.00 C ATOM 687 C ALA A 49 1.417 -7.479 5.829 1.00 0.00 C ATOM 688 O ALA A 49 1.507 -8.649 5.461 1.00 0.00 O ATOM 689 CB ALA A 49 -0.275 -5.643 5.347 1.00 0.00 C ATOM 0 H ALA A 49 -0.239 -5.567 7.792 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.703 -7.633 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.262 -5.906 4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.264 -5.274 5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.466 -4.867 5.537 1.00 0.00 H new ATOM 695 N LEU A 50 2.442 -6.649 5.951 1.00 0.00 N ATOM 696 CA LEU A 50 3.796 -7.082 5.647 1.00 0.00 C ATOM 697 C LEU A 50 3.990 -8.518 6.138 1.00 0.00 C ATOM 698 O LEU A 50 4.755 -9.281 5.551 1.00 0.00 O ATOM 699 CB LEU A 50 4.815 -6.094 6.217 1.00 0.00 C ATOM 700 CG LEU A 50 5.183 -4.914 5.315 1.00 0.00 C ATOM 701 CD1 LEU A 50 5.992 -3.868 6.084 1.00 0.00 C ATOM 702 CD2 LEU A 50 5.911 -5.391 4.057 1.00 0.00 C ATOM 0 H LEU A 50 2.363 -5.679 6.256 1.00 0.00 H new ATOM 0 HA LEU A 50 3.961 -7.088 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.424 -5.700 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.727 -6.641 6.456 1.00 0.00 H new ATOM 0 HG LEU A 50 4.261 -4.432 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.241 -3.040 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.403 -3.496 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.910 -4.321 6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.161 -4.532 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.826 -5.912 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.266 -6.069 3.499 1.00 0.00 H new ATOM 714 N ALA A 51 3.283 -8.843 7.211 1.00 0.00 N ATOM 715 CA ALA A 51 3.368 -10.174 7.788 1.00 0.00 C ATOM 716 C ALA A 51 2.810 -11.193 6.793 1.00 0.00 C ATOM 717 O ALA A 51 3.492 -12.149 6.429 1.00 0.00 O ATOM 718 CB ALA A 51 2.627 -10.199 9.126 1.00 0.00 C ATOM 0 H ALA A 51 2.649 -8.208 7.696 1.00 0.00 H new ATOM 0 HA ALA A 51 4.406 -10.441 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.691 -11.197 9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.081 -9.479 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.581 -9.939 8.967 1.00 0.00 H new ATOM 724 N ALA A 52 1.573 -10.954 6.381 1.00 0.00 N ATOM 725 CA ALA A 52 0.915 -11.839 5.436 1.00 0.00 C ATOM 726 C ALA A 52 1.504 -11.617 4.041 1.00 0.00 C ATOM 727 O ALA A 52 1.395 -12.481 3.172 1.00 0.00 O ATOM 728 CB ALA A 52 -0.595 -11.597 5.476 1.00 0.00 C ATOM 0 H ALA A 52 1.010 -10.160 6.685 1.00 0.00 H new ATOM 0 HA ALA A 52 1.085 -12.882 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.089 -12.261 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.969 -11.796 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.805 -10.561 5.209 1.00 0.00 H new ATOM 734 N ALA A 53 2.115 -10.454 3.870 1.00 0.00 N ATOM 735 CA ALA A 53 2.721 -10.107 2.596 1.00 0.00 C ATOM 736 C ALA A 53 4.032 -10.879 2.432 1.00 0.00 C ATOM 737 O ALA A 53 4.512 -11.064 1.315 1.00 0.00 O ATOM 738 CB ALA A 53 2.923 -8.592 2.522 1.00 0.00 C ATOM 0 H ALA A 53 2.203 -9.740 4.593 1.00 0.00 H new ATOM 0 HA ALA A 53 2.067 -10.389 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.378 -8.332 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.959 -8.092 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.576 -8.272 3.334 1.00 0.00 H new ATOM 744 N ASP A 54 4.573 -11.309 3.563 1.00 0.00 N ATOM 745 CA ASP A 54 5.818 -12.057 3.559 1.00 0.00 C ATOM 746 C ASP A 54 6.980 -11.104 3.270 1.00 0.00 C ATOM 747 O ASP A 54 7.863 -11.419 2.474 1.00 0.00 O ATOM 748 CB ASP A 54 5.810 -13.135 2.474 1.00 0.00 C ATOM 749 CG ASP A 54 6.501 -14.445 2.859 1.00 0.00 C ATOM 750 OD1 ASP A 54 7.750 -14.440 2.889 1.00 0.00 O ATOM 751 OD2 ASP A 54 5.764 -15.422 3.114 1.00 0.00 O ATOM 0 H ASP A 54 4.172 -11.153 4.488 1.00 0.00 H new ATOM 0 HA ASP A 54 5.930 -12.529 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.776 -13.352 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.293 -12.735 1.582 1.00 0.00 H new ATOM 756 N ASP A 55 6.941 -9.957 3.933 1.00 0.00 N ATOM 757 CA ASP A 55 7.979 -8.956 3.757 1.00 0.00 C ATOM 758 C ASP A 55 7.909 -8.400 2.333 1.00 0.00 C ATOM 759 O ASP A 55 8.923 -7.980 1.777 1.00 0.00 O ATOM 760 CB ASP A 55 9.369 -9.562 3.960 1.00 0.00 C ATOM 761 CG ASP A 55 10.506 -8.546 4.085 1.00 0.00 C ATOM 762 OD1 ASP A 55 10.397 -7.680 4.979 1.00 0.00 O ATOM 763 OD2 ASP A 55 11.458 -8.658 3.283 1.00 0.00 O ATOM 0 H ASP A 55 6.207 -9.699 4.593 1.00 0.00 H new ATOM 0 HA ASP A 55 7.817 -8.170 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.352 -10.178 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.585 -10.225 3.123 1.00 0.00 H new ATOM 768 N ASP A 56 6.703 -8.413 1.786 1.00 0.00 N ATOM 769 CA ASP A 56 6.488 -7.915 0.438 1.00 0.00 C ATOM 770 C ASP A 56 5.702 -6.604 0.503 1.00 0.00 C ATOM 771 O ASP A 56 4.490 -6.612 0.713 1.00 0.00 O ATOM 772 CB ASP A 56 5.677 -8.911 -0.395 1.00 0.00 C ATOM 773 CG ASP A 56 5.559 -8.566 -1.880 1.00 0.00 C ATOM 774 OD1 ASP A 56 5.370 -7.365 -2.171 1.00 0.00 O ATOM 775 OD2 ASP A 56 5.659 -9.512 -2.692 1.00 0.00 O ATOM 0 H ASP A 56 5.864 -8.760 2.251 1.00 0.00 H new ATOM 0 HA ASP A 56 7.463 -7.766 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.134 -9.896 -0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.674 -8.983 0.027 1.00 0.00 H new ATOM 780 N LEU A 57 6.425 -5.509 0.319 1.00 0.00 N ATOM 781 CA LEU A 57 5.811 -4.192 0.354 1.00 0.00 C ATOM 782 C LEU A 57 4.726 -4.111 -0.723 1.00 0.00 C ATOM 783 O LEU A 57 3.552 -3.917 -0.413 1.00 0.00 O ATOM 784 CB LEU A 57 6.876 -3.101 0.237 1.00 0.00 C ATOM 785 CG LEU A 57 6.430 -1.685 0.610 1.00 0.00 C ATOM 786 CD1 LEU A 57 5.255 -1.721 1.589 1.00 0.00 C ATOM 787 CD2 LEU A 57 7.603 -0.866 1.151 1.00 0.00 C ATOM 0 H LEU A 57 7.430 -5.507 0.145 1.00 0.00 H new ATOM 0 HA LEU A 57 5.322 -4.025 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.719 -3.374 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.242 -3.087 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 57 6.080 -1.187 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.957 -0.702 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.415 -2.243 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.554 -2.244 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.259 0.136 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.006 -1.351 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.381 -0.798 0.391 1.00 0.00 H new ATOM 799 N THR A 58 5.159 -4.264 -1.966 1.00 0.00 N ATOM 800 CA THR A 58 4.240 -4.210 -3.090 1.00 0.00 C ATOM 801 C THR A 58 2.912 -4.878 -2.726 1.00 0.00 C ATOM 802 O THR A 58 1.845 -4.308 -2.947 1.00 0.00 O ATOM 803 CB THR A 58 4.931 -4.849 -4.296 1.00 0.00 C ATOM 804 OG1 THR A 58 5.736 -3.802 -4.830 1.00 0.00 O ATOM 805 CG2 THR A 58 3.952 -5.179 -5.425 1.00 0.00 C ATOM 0 H THR A 58 6.134 -4.425 -2.219 1.00 0.00 H new ATOM 0 HA THR A 58 3.990 -3.181 -3.348 1.00 0.00 H new ATOM 0 HB THR A 58 5.442 -5.759 -3.981 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.221 -4.131 -5.615 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.494 -5.630 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.199 -5.878 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.465 -4.264 -5.763 1.00 0.00 H new ATOM 813 N VAL A 59 3.022 -6.078 -2.174 1.00 0.00 N ATOM 814 CA VAL A 59 1.843 -6.829 -1.777 1.00 0.00 C ATOM 815 C VAL A 59 1.173 -6.130 -0.593 1.00 0.00 C ATOM 816 O VAL A 59 -0.019 -5.831 -0.638 1.00 0.00 O ATOM 817 CB VAL A 59 2.225 -8.280 -1.477 1.00 0.00 C ATOM 818 CG1 VAL A 59 1.004 -9.087 -1.031 1.00 0.00 C ATOM 819 CG2 VAL A 59 2.900 -8.931 -2.686 1.00 0.00 C ATOM 0 H VAL A 59 3.909 -6.548 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 59 1.117 -6.859 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 59 2.942 -8.275 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.303 -10.115 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.584 -8.643 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.254 -9.080 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.161 -9.962 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.216 -8.918 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.804 -8.377 -2.940 1.00 0.00 H new ATOM 829 N ALA A 60 1.968 -5.890 0.439 1.00 0.00 N ATOM 830 CA ALA A 60 1.467 -5.232 1.633 1.00 0.00 C ATOM 831 C ALA A 60 0.540 -4.085 1.227 1.00 0.00 C ATOM 832 O ALA A 60 -0.614 -4.034 1.650 1.00 0.00 O ATOM 833 CB ALA A 60 2.644 -4.756 2.487 1.00 0.00 C ATOM 0 H ALA A 60 2.956 -6.140 0.473 1.00 0.00 H new ATOM 0 HA ALA A 60 0.886 -5.927 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.267 -4.262 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.255 -5.612 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.249 -4.054 1.913 1.00 0.00 H new ATOM 839 N VAL A 61 1.079 -3.191 0.411 1.00 0.00 N ATOM 840 CA VAL A 61 0.315 -2.048 -0.057 1.00 0.00 C ATOM 841 C VAL A 61 -1.101 -2.500 -0.418 1.00 0.00 C ATOM 842 O VAL A 61 -2.078 -1.980 0.119 1.00 0.00 O ATOM 843 CB VAL A 61 1.042 -1.374 -1.223 1.00 0.00 C ATOM 844 CG1 VAL A 61 0.175 -0.281 -1.852 1.00 0.00 C ATOM 845 CG2 VAL A 61 2.393 -0.812 -0.775 1.00 0.00 C ATOM 0 H VAL A 61 2.036 -3.236 0.062 1.00 0.00 H new ATOM 0 HA VAL A 61 0.227 -1.300 0.730 1.00 0.00 H new ATOM 0 HB VAL A 61 1.230 -2.132 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.715 0.182 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.750 -0.720 -2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.058 0.475 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.889 -0.338 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.237 -0.075 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.016 -1.622 -0.396 1.00 0.00 H new ATOM 855 N GLU A 62 -1.168 -3.463 -1.325 1.00 0.00 N ATOM 856 CA GLU A 62 -2.449 -3.991 -1.764 1.00 0.00 C ATOM 857 C GLU A 62 -3.327 -4.326 -0.556 1.00 0.00 C ATOM 858 O GLU A 62 -4.532 -4.084 -0.574 1.00 0.00 O ATOM 859 CB GLU A 62 -2.259 -5.216 -2.660 1.00 0.00 C ATOM 860 CG GLU A 62 -1.493 -4.851 -3.933 1.00 0.00 C ATOM 861 CD GLU A 62 -2.379 -4.060 -4.898 1.00 0.00 C ATOM 862 OE1 GLU A 62 -3.375 -4.651 -5.368 1.00 0.00 O ATOM 863 OE2 GLU A 62 -2.040 -2.883 -5.145 1.00 0.00 O ATOM 0 H GLU A 62 -0.356 -3.892 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.953 -3.225 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.718 -5.989 -2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.231 -5.633 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.613 -4.262 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.138 -5.759 -4.421 1.00 0.00 H new ATOM 870 N ILE A 63 -2.687 -4.878 0.465 1.00 0.00 N ATOM 871 CA ILE A 63 -3.395 -5.248 1.679 1.00 0.00 C ATOM 872 C ILE A 63 -3.820 -3.981 2.423 1.00 0.00 C ATOM 873 O ILE A 63 -4.981 -3.841 2.804 1.00 0.00 O ATOM 874 CB ILE A 63 -2.547 -6.202 2.523 1.00 0.00 C ATOM 875 CG1 ILE A 63 -2.413 -7.565 1.842 1.00 0.00 C ATOM 876 CG2 ILE A 63 -3.106 -6.322 3.942 1.00 0.00 C ATOM 877 CD1 ILE A 63 -1.231 -8.350 2.415 1.00 0.00 C ATOM 0 H ILE A 63 -1.687 -5.078 0.476 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.306 -5.796 1.437 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.544 -5.785 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.332 -8.135 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.277 -7.428 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.485 -7.006 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.106 -5.341 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.126 -6.705 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.158 -9.315 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.310 -7.788 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.382 -8.506 3.483 1.00 0.00 H new ATOM 889 N LEU A 64 -2.857 -3.090 2.607 1.00 0.00 N ATOM 890 CA LEU A 64 -3.118 -1.839 3.299 1.00 0.00 C ATOM 891 C LEU A 64 -4.282 -1.117 2.617 1.00 0.00 C ATOM 892 O LEU A 64 -5.188 -0.623 3.287 1.00 0.00 O ATOM 893 CB LEU A 64 -1.842 -1.000 3.388 1.00 0.00 C ATOM 894 CG LEU A 64 -0.828 -1.432 4.450 1.00 0.00 C ATOM 895 CD1 LEU A 64 -1.020 -0.641 5.745 1.00 0.00 C ATOM 896 CD2 LEU A 64 -0.890 -2.942 4.685 1.00 0.00 C ATOM 0 H LEU A 64 -1.895 -3.209 2.289 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.420 -2.029 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.350 -1.019 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.124 0.035 3.583 1.00 0.00 H new ATOM 0 HG LEU A 64 0.172 -1.205 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.287 -0.967 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.885 0.422 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.025 -0.813 6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.160 -3.222 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.889 -3.217 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.666 -3.464 3.755 1.00 0.00 H new ATOM 908 N MET A 65 -4.220 -1.079 1.295 1.00 0.00 N ATOM 909 CA MET A 65 -5.257 -0.426 0.515 1.00 0.00 C ATOM 910 C MET A 65 -6.629 -1.039 0.804 1.00 0.00 C ATOM 911 O MET A 65 -7.613 -0.320 0.969 1.00 0.00 O ATOM 912 CB MET A 65 -4.940 -0.564 -0.975 1.00 0.00 C ATOM 913 CG MET A 65 -4.141 0.640 -1.480 1.00 0.00 C ATOM 914 SD MET A 65 -5.195 1.710 -2.445 1.00 0.00 S ATOM 915 CE MET A 65 -4.671 3.300 -1.827 1.00 0.00 C ATOM 0 H MET A 65 -3.467 -1.490 0.743 1.00 0.00 H new ATOM 0 HA MET A 65 -5.284 0.628 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.373 -1.479 -1.147 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.867 -0.653 -1.541 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.725 1.190 -0.636 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.300 0.301 -2.086 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.233 4.088 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.852 3.351 -0.753 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.607 3.433 -2.022 1.00 0.00 H new ATOM 925 N SER A 66 -6.650 -2.363 0.856 1.00 0.00 N ATOM 926 CA SER A 66 -7.884 -3.082 1.123 1.00 0.00 C ATOM 927 C SER A 66 -7.763 -3.863 2.433 1.00 0.00 C ATOM 928 O SER A 66 -8.008 -5.068 2.466 1.00 0.00 O ATOM 929 CB SER A 66 -8.231 -4.027 -0.029 1.00 0.00 C ATOM 930 OG SER A 66 -9.458 -4.716 0.196 1.00 0.00 O ATOM 0 H SER A 66 -5.832 -2.956 0.718 1.00 0.00 H new ATOM 0 HA SER A 66 -8.690 -2.354 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.300 -3.458 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.427 -4.751 -0.158 1.00 0.00 H new ATOM 0 HG SER A 66 -9.398 -5.227 1.030 1.00 0.00 H new ATOM 936 N GLN A 67 -7.384 -3.146 3.480 1.00 0.00 N ATOM 937 CA GLN A 67 -7.227 -3.757 4.789 1.00 0.00 C ATOM 938 C GLN A 67 -8.535 -3.665 5.577 1.00 0.00 C ATOM 939 O GLN A 67 -9.183 -4.680 5.831 1.00 0.00 O ATOM 940 CB GLN A 67 -6.075 -3.111 5.561 1.00 0.00 C ATOM 941 CG GLN A 67 -4.881 -4.063 5.663 1.00 0.00 C ATOM 942 CD GLN A 67 -4.164 -3.900 7.005 1.00 0.00 C ATOM 943 OE1 GLN A 67 -3.036 -3.442 7.083 1.00 0.00 O ATOM 944 NE2 GLN A 67 -4.879 -4.299 8.052 1.00 0.00 N ATOM 0 H GLN A 67 -7.181 -2.147 3.449 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.982 -4.810 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.769 -2.191 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.412 -2.836 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.221 -5.092 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.184 -3.867 4.848 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.818 -4.673 7.916 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.489 -4.231 8.992 1.00 0.00 H new ATOM 953 N SER A 68 -8.883 -2.441 5.944 1.00 0.00 N ATOM 954 CA SER A 68 -10.102 -2.204 6.698 1.00 0.00 C ATOM 955 C SER A 68 -9.931 -2.696 8.137 1.00 0.00 C ATOM 956 O SER A 68 -10.121 -3.878 8.419 1.00 0.00 O ATOM 957 CB SER A 68 -11.300 -2.893 6.041 1.00 0.00 C ATOM 958 OG SER A 68 -12.539 -2.411 6.553 1.00 0.00 O ATOM 0 H SER A 68 -8.342 -1.602 5.733 1.00 0.00 H new ATOM 0 HA SER A 68 -10.295 -1.131 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.265 -2.731 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.234 -3.969 6.204 1.00 0.00 H new ATOM 0 HG SER A 68 -13.279 -2.874 6.108 1.00 0.00 H new ATOM 964 N GLY A 69 -9.573 -1.765 9.009 1.00 0.00 N ATOM 965 CA GLY A 69 -9.374 -2.089 10.411 1.00 0.00 C ATOM 966 C GLY A 69 -10.633 -1.788 11.227 1.00 0.00 C ATOM 967 O GLY A 69 -11.446 -0.953 10.835 1.00 0.00 O ATOM 0 H GLY A 69 -9.416 -0.786 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.115 -3.143 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.535 -1.515 10.805 1.00 0.00 H new ATOM 971 N PRO A 70 -10.756 -2.504 12.377 1.00 0.00 N ATOM 972 CA PRO A 70 -11.902 -2.322 13.252 1.00 0.00 C ATOM 973 C PRO A 70 -11.790 -1.013 14.038 1.00 0.00 C ATOM 974 O PRO A 70 -11.716 -1.026 15.265 1.00 0.00 O ATOM 975 CB PRO A 70 -11.914 -3.551 14.146 1.00 0.00 C ATOM 976 CG PRO A 70 -10.518 -4.146 14.055 1.00 0.00 C ATOM 977 CD PRO A 70 -9.812 -3.501 12.873 1.00 0.00 C ATOM 0 HA PRO A 70 -12.840 -2.235 12.703 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.158 -3.284 15.174 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.666 -4.267 13.815 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.965 -3.963 14.976 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.572 -5.227 13.924 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.872 -3.040 13.177 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.573 -4.237 12.105 1.00 0.00 H new ATOM 985 N SER A 71 -11.780 0.085 13.297 1.00 0.00 N ATOM 986 CA SER A 71 -11.678 1.399 13.908 1.00 0.00 C ATOM 987 C SER A 71 -11.773 2.485 12.835 1.00 0.00 C ATOM 988 O SER A 71 -12.742 3.242 12.796 1.00 0.00 O ATOM 989 CB SER A 71 -10.372 1.542 14.693 1.00 0.00 C ATOM 990 OG SER A 71 -10.404 2.652 15.586 1.00 0.00 O ATOM 0 H SER A 71 -11.841 0.092 12.279 1.00 0.00 H new ATOM 0 HA SER A 71 -12.506 1.515 14.607 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.186 0.628 15.257 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.542 1.661 13.997 1.00 0.00 H new ATOM 0 HG SER A 71 -9.553 2.708 16.069 1.00 0.00 H new ATOM 996 N SER A 72 -10.754 2.527 11.989 1.00 0.00 N ATOM 997 CA SER A 72 -10.711 3.507 10.917 1.00 0.00 C ATOM 998 C SER A 72 -10.507 4.908 11.497 1.00 0.00 C ATOM 999 O SER A 72 -11.465 5.553 11.922 1.00 0.00 O ATOM 1000 CB SER A 72 -11.989 3.461 10.077 1.00 0.00 C ATOM 1001 OG SER A 72 -11.709 3.306 8.688 1.00 0.00 O ATOM 0 H SER A 72 -9.952 1.898 12.024 1.00 0.00 H new ATOM 0 HA SER A 72 -9.872 3.265 10.265 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.616 2.636 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.558 4.378 10.232 1.00 0.00 H new ATOM 0 HG SER A 72 -12.550 3.279 8.186 1.00 0.00 H new ATOM 1007 N GLY A 73 -9.254 5.338 11.497 1.00 0.00 N ATOM 1008 CA GLY A 73 -8.913 6.650 12.019 1.00 0.00 C ATOM 1009 C GLY A 73 -7.565 6.619 12.742 1.00 0.00 C ATOM 1010 O GLY A 73 -7.493 6.891 13.939 1.00 0.00 O ATOM 0 H GLY A 73 -8.462 4.801 11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.875 7.372 11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.690 6.985 12.706 1.00 0.00 H new TER 1014 GLY A 73