USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 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: B 12 HIS : no HE2:sc= -2.82 K(o=-4.5,f=-7.4!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -0.99 K(o=-4.5,f=-6!) USER MOD Set 1.3: B 40 CYS SG : rot 160:sc= 0.84 USER MOD Set 1.4: B 43 CYS SG : rot 84:sc= -1.49 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -3.06! C(o=-5!,f=-8.2!) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.09 K(o=-5,f=-6.7!) USER MOD Set 2.3: A 40 CYS SG : rot 160:sc= 0.811 USER MOD Set 2.4: A 43 CYS SG : rot 84:sc= -1.7 USER MOD Single : A 1 PHE N :NH3+ 128:sc= 1.35 (180deg=0.107) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 147:sc= -0.136 (180deg=-0.895) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -77:sc= 0.844 USER MOD Single : A 18 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.157 (180deg=-1.18) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -0.12 (180deg=-0.705) USER MOD Single : A 39 SER OG : rot 68:sc= -0.0834! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.85) USER MOD Single : B 1 PHE N :NH3+ 138:sc= 1.44 (180deg=0.164) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 157:sc= -0.143 (180deg=-0.986) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -80:sc= 0.965 USER MOD Single : B 18 ASN : amide:sc= -0.0216 K(o=-0.022,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 154:sc= -0.174 (180deg=-1.22) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 155:sc= -0.0716 (180deg=-0.63) USER MOD Single : B 39 SER OG : rot 68:sc= -0.248! USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -0.843 K(o=-0.84,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.825 -3.865 24.298 1.00 0.00 N ATOM 2 CA PHE A 1 94.511 -4.511 25.597 1.00 0.00 C ATOM 3 C PHE A 1 94.159 -3.437 26.630 1.00 0.00 C ATOM 4 O PHE A 1 93.010 -3.088 26.808 1.00 0.00 O ATOM 5 CB PHE A 1 95.725 -5.310 26.082 1.00 0.00 C ATOM 6 CG PHE A 1 95.885 -6.561 25.248 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.487 -6.494 23.985 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.438 -7.793 25.742 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.643 -7.658 23.218 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.590 -8.955 24.974 1.00 0.00 C ATOM 11 CZ PHE A 1 96.193 -8.888 23.714 1.00 0.00 C ATOM 0 H1 PHE A 1 95.744 -4.208 23.953 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.085 -4.100 23.606 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.866 -2.833 24.424 1.00 0.00 H new ATOM 0 HA PHE A 1 93.663 -5.185 25.470 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.625 -4.699 26.013 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.600 -5.576 27.132 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.831 -5.545 23.601 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.975 -7.847 26.716 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.110 -7.606 22.246 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.241 -9.903 25.355 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.312 -9.785 23.124 1.00 0.00 H new ATOM 23 N LEU A 2 95.142 -2.921 27.317 1.00 0.00 N ATOM 24 CA LEU A 2 94.875 -1.878 28.349 1.00 0.00 C ATOM 25 C LEU A 2 94.235 -0.643 27.703 1.00 0.00 C ATOM 26 O LEU A 2 93.339 -0.038 28.261 1.00 0.00 O ATOM 27 CB LEU A 2 96.201 -1.494 29.017 1.00 0.00 C ATOM 28 CG LEU A 2 96.815 -2.734 29.686 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.263 -2.442 30.076 1.00 0.00 C ATOM 30 CD2 LEU A 2 96.020 -3.117 30.946 1.00 0.00 C ATOM 0 H LEU A 2 96.123 -3.178 27.207 1.00 0.00 H new ATOM 0 HA LEU A 2 94.185 -2.271 29.096 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.890 -1.089 28.276 1.00 0.00 H new ATOM 0 HB3 LEU A 2 96.034 -0.713 29.758 1.00 0.00 H new ATOM 0 HG LEU A 2 96.780 -3.563 28.979 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.697 -3.322 30.550 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.837 -2.191 29.184 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.290 -1.604 30.773 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.469 -3.997 31.406 1.00 0.00 H new ATOM 0 HD22 LEU A 2 96.038 -2.288 31.654 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.988 -3.338 30.672 1.00 0.00 H new ATOM 42 N ASP A 3 94.690 -0.256 26.544 1.00 0.00 N ATOM 43 CA ASP A 3 94.105 0.947 25.875 1.00 0.00 C ATOM 44 C ASP A 3 92.645 0.699 25.505 1.00 0.00 C ATOM 45 O ASP A 3 91.777 1.508 25.763 1.00 0.00 O ATOM 46 CB ASP A 3 94.880 1.230 24.596 1.00 0.00 C ATOM 47 CG ASP A 3 94.774 0.030 23.655 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.670 -1.079 24.152 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.791 0.239 22.452 1.00 0.00 O ATOM 0 H ASP A 3 95.440 -0.717 26.029 1.00 0.00 H new ATOM 0 HA ASP A 3 94.166 1.791 26.562 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.485 2.122 24.110 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.926 1.430 24.829 1.00 0.00 H new ATOM 54 N GLY A 4 92.374 -0.409 24.894 1.00 0.00 N ATOM 55 CA GLY A 4 90.971 -0.712 24.490 1.00 0.00 C ATOM 56 C GLY A 4 90.065 -0.634 25.716 1.00 0.00 C ATOM 57 O GLY A 4 88.933 -0.193 25.646 1.00 0.00 O ATOM 0 H GLY A 4 93.060 -1.124 24.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.638 -0.004 23.732 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.915 -1.705 24.045 1.00 0.00 H new ATOM 61 N ILE A 5 90.557 -1.060 26.839 1.00 0.00 N ATOM 62 CA ILE A 5 89.745 -1.021 28.084 1.00 0.00 C ATOM 63 C ILE A 5 89.465 0.427 28.482 1.00 0.00 C ATOM 64 O ILE A 5 88.386 0.753 28.936 1.00 0.00 O ATOM 65 CB ILE A 5 90.503 -1.740 29.205 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.477 -3.247 28.941 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.844 -1.438 30.556 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.412 -3.965 29.913 1.00 0.00 C ATOM 0 H ILE A 5 91.498 -1.438 26.951 1.00 0.00 H new ATOM 0 HA ILE A 5 88.793 -1.523 27.912 1.00 0.00 H new ATOM 0 HB ILE A 5 91.535 -1.391 29.230 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.461 -3.627 29.053 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.781 -3.450 27.914 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.387 -1.952 31.349 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.865 -0.364 30.739 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.810 -1.783 30.542 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.387 -5.037 29.717 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.429 -3.596 29.780 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.088 -3.775 30.936 1.00 0.00 H new ATOM 80 N ASP A 6 90.423 1.293 28.340 1.00 0.00 N ATOM 81 CA ASP A 6 90.190 2.704 28.750 1.00 0.00 C ATOM 82 C ASP A 6 89.026 3.284 27.944 1.00 0.00 C ATOM 83 O ASP A 6 88.131 3.895 28.488 1.00 0.00 O ATOM 84 CB ASP A 6 91.458 3.525 28.481 1.00 0.00 C ATOM 85 CG ASP A 6 91.253 4.978 28.924 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.113 5.406 28.982 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.242 5.634 29.203 1.00 0.00 O ATOM 0 H ASP A 6 91.349 1.091 27.962 1.00 0.00 H new ATOM 0 HA ASP A 6 89.949 2.741 29.812 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.302 3.090 29.016 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.703 3.492 27.419 1.00 0.00 H new ATOM 92 N LYS A 7 89.025 3.095 26.657 1.00 0.00 N ATOM 93 CA LYS A 7 87.907 3.637 25.835 1.00 0.00 C ATOM 94 C LYS A 7 86.624 2.858 26.140 1.00 0.00 C ATOM 95 O LYS A 7 85.551 3.417 26.244 1.00 0.00 O ATOM 96 CB LYS A 7 88.261 3.477 24.356 1.00 0.00 C ATOM 97 CG LYS A 7 89.419 4.416 24.012 1.00 0.00 C ATOM 98 CD LYS A 7 89.776 4.259 22.534 1.00 0.00 C ATOM 99 CE LYS A 7 90.936 5.192 22.185 1.00 0.00 C ATOM 100 NZ LYS A 7 91.285 5.028 20.744 1.00 0.00 N ATOM 0 H LYS A 7 89.745 2.592 26.139 1.00 0.00 H new ATOM 0 HA LYS A 7 87.751 4.690 26.068 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.540 2.444 24.146 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.395 3.706 23.735 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.140 5.448 24.223 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.285 4.187 24.633 1.00 0.00 H new ATOM 0 HD2 LYS A 7 90.051 3.226 22.324 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.910 4.491 21.914 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.659 6.227 22.388 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.801 4.965 22.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.074 5.662 20.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.565 4.043 20.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.459 5.265 20.158 1.00 0.00 H new ATOM 114 N ALA A 8 86.742 1.567 26.287 1.00 0.00 N ATOM 115 CA ALA A 8 85.549 0.722 26.589 1.00 0.00 C ATOM 116 C ALA A 8 85.059 0.995 28.016 1.00 0.00 C ATOM 117 O ALA A 8 83.874 0.984 28.287 1.00 0.00 O ATOM 118 CB ALA A 8 85.924 -0.759 26.450 1.00 0.00 C ATOM 0 H ALA A 8 87.621 1.056 26.210 1.00 0.00 H new ATOM 0 HA ALA A 8 84.752 0.966 25.887 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.054 -1.377 26.670 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.260 -0.955 25.432 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.725 -0.999 27.149 1.00 0.00 H new ATOM 124 N GLN A 9 85.961 1.223 28.934 1.00 0.00 N ATOM 125 CA GLN A 9 85.543 1.477 30.346 1.00 0.00 C ATOM 126 C GLN A 9 84.659 2.723 30.404 1.00 0.00 C ATOM 127 O GLN A 9 84.886 3.687 29.701 1.00 0.00 O ATOM 128 CB GLN A 9 86.786 1.693 31.213 1.00 0.00 C ATOM 129 CG GLN A 9 86.366 1.953 32.663 1.00 0.00 C ATOM 130 CD GLN A 9 87.608 2.070 33.549 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.705 1.778 33.117 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.480 2.486 34.778 1.00 0.00 N ATOM 0 H GLN A 9 86.967 1.245 28.769 1.00 0.00 H new ATOM 0 HA GLN A 9 84.983 0.619 30.718 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.433 0.817 31.163 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.363 2.537 30.835 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.778 2.869 32.722 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.730 1.142 33.018 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.558 2.731 35.140 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.301 2.566 35.377 1.00 0.00 H new ATOM 141 N GLU A 10 83.644 2.705 31.231 1.00 0.00 N ATOM 142 CA GLU A 10 82.741 3.886 31.328 1.00 0.00 C ATOM 143 C GLU A 10 81.883 3.784 32.593 1.00 0.00 C ATOM 144 O GLU A 10 82.028 2.876 33.386 1.00 0.00 O ATOM 145 CB GLU A 10 81.842 3.941 30.096 1.00 0.00 C ATOM 146 CG GLU A 10 81.009 2.659 30.012 1.00 0.00 C ATOM 147 CD GLU A 10 80.161 2.689 28.744 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.729 2.886 27.683 1.00 0.00 O ATOM 149 OE2 GLU A 10 78.959 2.521 28.854 1.00 0.00 O ATOM 0 H GLU A 10 83.404 1.924 31.841 1.00 0.00 H new ATOM 0 HA GLU A 10 83.341 4.795 31.379 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.186 4.810 30.150 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.447 4.054 29.196 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.663 1.787 30.005 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.368 2.570 30.889 1.00 0.00 H new ATOM 156 N GLU A 11 80.994 4.718 32.786 1.00 0.00 N ATOM 157 CA GLU A 11 80.122 4.697 33.993 1.00 0.00 C ATOM 158 C GLU A 11 79.285 3.414 34.015 1.00 0.00 C ATOM 159 O GLU A 11 79.068 2.785 32.997 1.00 0.00 O ATOM 160 CB GLU A 11 79.191 5.910 33.960 1.00 0.00 C ATOM 161 CG GLU A 11 80.004 7.183 34.200 1.00 0.00 C ATOM 162 CD GLU A 11 79.075 8.402 34.156 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.765 8.847 33.062 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.693 8.869 35.216 1.00 0.00 O ATOM 0 H GLU A 11 80.833 5.502 32.153 1.00 0.00 H new ATOM 0 HA GLU A 11 80.745 4.730 34.887 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.683 5.966 32.997 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.418 5.810 34.722 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.505 7.130 35.166 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.782 7.278 33.442 1.00 0.00 H new ATOM 171 N HIS A 12 78.812 3.021 35.167 1.00 0.00 N ATOM 172 CA HIS A 12 77.988 1.779 35.253 1.00 0.00 C ATOM 173 C HIS A 12 76.571 2.074 34.757 1.00 0.00 C ATOM 174 O HIS A 12 75.635 2.163 35.526 1.00 0.00 O ATOM 175 CB HIS A 12 77.942 1.320 36.710 1.00 0.00 C ATOM 176 CG HIS A 12 77.002 0.157 36.867 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.397 -1.158 36.658 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.685 0.096 37.246 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.333 -1.948 36.917 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.268 -1.229 37.278 1.00 0.00 N ATOM 0 H HIS A 12 78.960 3.505 36.052 1.00 0.00 H new ATOM 0 HA HIS A 12 78.425 0.995 34.635 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.941 1.034 37.039 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.620 2.144 37.347 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.322 -1.470 36.363 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.066 0.949 37.484 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.343 -3.025 36.842 1.00 0.00 H new ATOM 188 N GLU A 13 76.409 2.223 33.470 1.00 0.00 N ATOM 189 CA GLU A 13 75.058 2.518 32.901 1.00 0.00 C ATOM 190 C GLU A 13 74.430 1.222 32.371 1.00 0.00 C ATOM 191 O GLU A 13 74.828 0.131 32.735 1.00 0.00 O ATOM 192 CB GLU A 13 75.210 3.518 31.754 1.00 0.00 C ATOM 193 CG GLU A 13 75.618 4.887 32.311 1.00 0.00 C ATOM 194 CD GLU A 13 75.936 5.833 31.150 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.423 5.353 30.141 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.691 7.023 31.291 1.00 0.00 O ATOM 0 H GLU A 13 77.159 2.153 32.782 1.00 0.00 H new ATOM 0 HA GLU A 13 74.415 2.938 33.675 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.961 3.164 31.047 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.272 3.603 31.206 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.813 5.299 32.920 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.488 4.784 32.959 1.00 0.00 H new ATOM 203 N LYS A 14 73.449 1.336 31.514 1.00 0.00 N ATOM 204 CA LYS A 14 72.782 0.127 30.954 1.00 0.00 C ATOM 205 C LYS A 14 73.757 -0.589 30.024 1.00 0.00 C ATOM 206 O LYS A 14 73.673 -1.785 29.823 1.00 0.00 O ATOM 207 CB LYS A 14 71.550 0.546 30.153 1.00 0.00 C ATOM 208 CG LYS A 14 70.482 1.091 31.102 1.00 0.00 C ATOM 209 CD LYS A 14 69.255 1.506 30.295 1.00 0.00 C ATOM 210 CE LYS A 14 68.189 2.054 31.242 1.00 0.00 C ATOM 211 NZ LYS A 14 68.765 3.160 32.056 1.00 0.00 N ATOM 0 H LYS A 14 73.079 2.225 31.176 1.00 0.00 H new ATOM 0 HA LYS A 14 72.481 -0.534 31.767 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.821 1.306 29.420 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.157 -0.306 29.598 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.210 0.332 31.836 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.873 1.944 31.656 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.528 2.263 29.560 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.863 0.652 29.743 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.333 2.416 30.672 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.825 1.260 31.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 68.027 3.866 32.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 69.129 2.778 32.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.542 3.610 31.531 1.00 0.00 H new ATOM 225 N TYR A 15 74.686 0.129 29.460 1.00 0.00 N ATOM 226 CA TYR A 15 75.665 -0.515 28.547 1.00 0.00 C ATOM 227 C TYR A 15 76.427 -1.592 29.323 1.00 0.00 C ATOM 228 O TYR A 15 76.720 -2.648 28.801 1.00 0.00 O ATOM 229 CB TYR A 15 76.638 0.544 28.010 1.00 0.00 C ATOM 230 CG TYR A 15 75.992 1.303 26.871 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.122 2.373 27.130 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.262 0.930 25.550 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.528 3.066 26.066 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.668 1.623 24.488 1.00 0.00 C ATOM 235 CZ TYR A 15 74.800 2.690 24.747 1.00 0.00 C ATOM 236 OH TYR A 15 74.210 3.372 23.700 1.00 0.00 O ATOM 0 H TYR A 15 74.809 1.133 29.592 1.00 0.00 H new ATOM 0 HA TYR A 15 75.149 -0.974 27.704 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.916 1.233 28.807 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.556 0.067 27.667 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.910 2.663 28.149 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.930 0.106 25.349 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.860 3.891 26.265 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.880 1.334 23.469 1.00 0.00 H new ATOM 0 HH TYR A 15 74.506 2.985 22.850 1.00 0.00 H new ATOM 246 N HIS A 16 76.744 -1.351 30.565 1.00 0.00 N ATOM 247 CA HIS A 16 77.466 -2.390 31.347 1.00 0.00 C ATOM 248 C HIS A 16 76.603 -3.656 31.404 1.00 0.00 C ATOM 249 O HIS A 16 77.098 -4.758 31.287 1.00 0.00 O ATOM 250 CB HIS A 16 77.733 -1.878 32.773 1.00 0.00 C ATOM 251 CG HIS A 16 78.991 -1.044 32.812 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.735 -0.886 33.979 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.660 -0.329 31.846 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.792 -0.106 33.685 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.791 0.259 32.403 1.00 0.00 N ATOM 0 H HIS A 16 76.536 -0.488 31.067 1.00 0.00 H new ATOM 0 HA HIS A 16 78.420 -2.614 30.869 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.886 -1.284 33.116 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.829 -2.722 33.456 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.354 -0.238 30.814 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.547 0.188 34.399 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.477 0.847 31.929 1.00 0.00 H new ATOM 263 N SER A 17 75.316 -3.510 31.577 1.00 0.00 N ATOM 264 CA SER A 17 74.440 -4.716 31.629 1.00 0.00 C ATOM 265 C SER A 17 74.546 -5.460 30.298 1.00 0.00 C ATOM 266 O SER A 17 74.632 -6.671 30.256 1.00 0.00 O ATOM 267 CB SER A 17 72.991 -4.295 31.862 1.00 0.00 C ATOM 268 OG SER A 17 72.482 -3.699 30.676 1.00 0.00 O ATOM 0 H SER A 17 74.837 -2.616 31.684 1.00 0.00 H new ATOM 0 HA SER A 17 74.757 -5.364 32.446 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.388 -5.160 32.136 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.933 -3.590 32.691 1.00 0.00 H new ATOM 0 HG SER A 17 72.833 -2.788 30.591 1.00 0.00 H new ATOM 274 N ASN A 18 74.553 -4.737 29.205 1.00 0.00 N ATOM 275 CA ASN A 18 74.668 -5.389 27.865 1.00 0.00 C ATOM 276 C ASN A 18 76.126 -5.334 27.402 1.00 0.00 C ATOM 277 O ASN A 18 76.546 -4.384 26.774 1.00 0.00 O ATOM 278 CB ASN A 18 73.792 -4.639 26.862 1.00 0.00 C ATOM 279 CG ASN A 18 72.316 -4.886 27.181 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.975 -5.858 27.826 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.419 -4.039 26.756 1.00 0.00 N ATOM 0 H ASN A 18 74.484 -3.720 29.184 1.00 0.00 H new ATOM 0 HA ASN A 18 74.342 -6.427 27.932 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.009 -3.572 26.902 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.016 -4.972 25.849 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.433 -4.193 26.965 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.704 -3.223 26.215 1.00 0.00 H new ATOM 288 N TRP A 19 76.900 -6.339 27.701 1.00 0.00 N ATOM 289 CA TRP A 19 78.323 -6.326 27.267 1.00 0.00 C ATOM 290 C TRP A 19 78.409 -6.566 25.756 1.00 0.00 C ATOM 291 O TRP A 19 79.362 -6.175 25.114 1.00 0.00 O ATOM 292 CB TRP A 19 79.117 -7.387 28.033 1.00 0.00 C ATOM 293 CG TRP A 19 78.640 -8.758 27.681 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.787 -9.499 28.423 1.00 0.00 C ATOM 295 CD2 TRP A 19 78.984 -9.568 26.522 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.589 -10.716 27.796 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.302 -10.804 26.619 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.815 -9.352 25.406 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.441 -11.792 25.643 1.00 0.00 C ATOM 300 CZ3 TRP A 19 79.954 -10.344 24.424 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.270 -11.561 24.542 1.00 0.00 C ATOM 0 H TRP A 19 76.610 -7.165 28.225 1.00 0.00 H new ATOM 0 HA TRP A 19 78.757 -5.351 27.487 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.178 -7.294 27.799 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.011 -7.224 29.106 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.334 -9.191 29.354 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.990 -11.457 28.159 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.348 -8.418 25.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.912 -12.729 25.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.593 -10.168 23.571 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.383 -12.320 23.782 1.00 0.00 H new ATOM 312 N ARG A 20 77.423 -7.209 25.180 1.00 0.00 N ATOM 313 CA ARG A 20 77.459 -7.474 23.709 1.00 0.00 C ATOM 314 C ARG A 20 77.514 -6.150 22.948 1.00 0.00 C ATOM 315 O ARG A 20 78.226 -6.014 21.971 1.00 0.00 O ATOM 316 CB ARG A 20 76.178 -8.218 23.291 1.00 0.00 C ATOM 317 CG ARG A 20 76.178 -9.660 23.826 1.00 0.00 C ATOM 318 CD ARG A 20 76.923 -10.583 22.854 1.00 0.00 C ATOM 319 NE ARG A 20 76.260 -10.554 21.503 1.00 0.00 N ATOM 320 CZ ARG A 20 75.012 -10.907 21.331 1.00 0.00 C ATOM 321 NH1 ARG A 20 74.324 -11.425 22.306 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.464 -10.778 20.151 1.00 0.00 N ATOM 0 H ARG A 20 76.597 -7.561 25.664 1.00 0.00 H new ATOM 0 HA ARG A 20 78.339 -8.075 23.479 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.305 -7.686 23.669 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.098 -8.230 22.204 1.00 0.00 H new ATOM 0 HG2 ARG A 20 76.653 -9.692 24.807 1.00 0.00 H new ATOM 0 HG3 ARG A 20 75.153 -10.008 23.957 1.00 0.00 H new ATOM 0 HD2 ARG A 20 77.962 -10.267 22.765 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.932 -11.602 23.242 1.00 0.00 H new ATOM 0 HE ARG A 20 76.802 -10.249 20.694 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.757 -11.561 23.220 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.352 -11.695 22.157 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.009 -10.405 19.374 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.492 -11.051 20.008 1.00 0.00 H new ATOM 336 N ALA A 21 76.754 -5.183 23.371 1.00 0.00 N ATOM 337 CA ALA A 21 76.752 -3.875 22.663 1.00 0.00 C ATOM 338 C ALA A 21 78.153 -3.261 22.684 1.00 0.00 C ATOM 339 O ALA A 21 78.670 -2.834 21.670 1.00 0.00 O ATOM 340 CB ALA A 21 75.761 -2.930 23.346 1.00 0.00 C ATOM 0 H ALA A 21 76.133 -5.241 24.178 1.00 0.00 H new ATOM 0 HA ALA A 21 76.453 -4.030 21.626 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.758 -1.970 22.829 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.762 -3.364 23.312 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.057 -2.781 24.385 1.00 0.00 H new ATOM 346 N MET A 22 78.768 -3.208 23.830 1.00 0.00 N ATOM 347 CA MET A 22 80.133 -2.613 23.917 1.00 0.00 C ATOM 348 C MET A 22 81.112 -3.436 23.086 1.00 0.00 C ATOM 349 O MET A 22 81.963 -2.899 22.402 1.00 0.00 O ATOM 350 CB MET A 22 80.582 -2.611 25.376 1.00 0.00 C ATOM 351 CG MET A 22 81.940 -1.915 25.498 1.00 0.00 C ATOM 352 SD MET A 22 82.356 -1.695 27.247 1.00 0.00 S ATOM 353 CE MET A 22 82.460 -3.448 27.687 1.00 0.00 C ATOM 0 H MET A 22 78.386 -3.550 24.712 1.00 0.00 H new ATOM 0 HA MET A 22 80.110 -1.593 23.533 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.844 -2.099 25.993 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.652 -3.634 25.746 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.709 -2.507 25.003 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.910 -0.948 24.996 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.083 -3.564 28.574 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.461 -3.831 27.893 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.899 -4.005 26.859 1.00 0.00 H new ATOM 363 N ALA A 23 81.005 -4.732 23.138 1.00 0.00 N ATOM 364 CA ALA A 23 81.935 -5.578 22.345 1.00 0.00 C ATOM 365 C ALA A 23 81.692 -5.323 20.860 1.00 0.00 C ATOM 366 O ALA A 23 82.613 -5.225 20.076 1.00 0.00 O ATOM 367 CB ALA A 23 81.677 -7.051 22.664 1.00 0.00 C ATOM 0 H ALA A 23 80.317 -5.241 23.693 1.00 0.00 H new ATOM 0 HA ALA A 23 82.967 -5.332 22.595 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.358 -7.674 22.084 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.841 -7.227 23.727 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.648 -7.304 22.409 1.00 0.00 H new ATOM 373 N SER A 24 80.453 -5.205 20.472 1.00 0.00 N ATOM 374 CA SER A 24 80.139 -4.948 19.038 1.00 0.00 C ATOM 375 C SER A 24 80.590 -3.532 18.655 1.00 0.00 C ATOM 376 O SER A 24 81.101 -3.306 17.579 1.00 0.00 O ATOM 377 CB SER A 24 78.633 -5.094 18.808 1.00 0.00 C ATOM 378 OG SER A 24 78.347 -4.937 17.424 1.00 0.00 O ATOM 0 H SER A 24 79.642 -5.276 21.087 1.00 0.00 H new ATOM 0 HA SER A 24 80.668 -5.671 18.417 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.295 -6.072 19.151 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.092 -4.347 19.389 1.00 0.00 H new ATOM 0 HG SER A 24 77.383 -5.032 17.276 1.00 0.00 H new ATOM 384 N ASP A 25 80.392 -2.576 19.523 1.00 0.00 N ATOM 385 CA ASP A 25 80.791 -1.172 19.200 1.00 0.00 C ATOM 386 C ASP A 25 82.297 -1.075 18.957 1.00 0.00 C ATOM 387 O ASP A 25 82.746 -0.371 18.076 1.00 0.00 O ATOM 388 CB ASP A 25 80.434 -0.261 20.376 1.00 0.00 C ATOM 389 CG ASP A 25 78.916 -0.117 20.477 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.277 -0.041 19.442 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.422 -0.089 21.591 1.00 0.00 O ATOM 0 H ASP A 25 79.971 -2.705 20.443 1.00 0.00 H new ATOM 0 HA ASP A 25 80.261 -0.866 18.298 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.832 -0.675 21.303 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.893 0.718 20.242 1.00 0.00 H new ATOM 396 N PHE A 26 83.084 -1.765 19.735 1.00 0.00 N ATOM 397 CA PHE A 26 84.568 -1.702 19.559 1.00 0.00 C ATOM 398 C PHE A 26 85.047 -2.929 18.789 1.00 0.00 C ATOM 399 O PHE A 26 86.228 -3.123 18.585 1.00 0.00 O ATOM 400 CB PHE A 26 85.234 -1.673 20.935 1.00 0.00 C ATOM 401 CG PHE A 26 85.019 -0.320 21.579 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.885 0.744 21.286 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.956 -0.130 22.472 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.686 1.996 21.883 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.757 1.123 23.070 1.00 0.00 C ATOM 406 CZ PHE A 26 84.621 2.186 22.776 1.00 0.00 C ATOM 0 H PHE A 26 82.765 -2.373 20.489 1.00 0.00 H new ATOM 0 HA PHE A 26 84.832 -0.803 19.002 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.818 -2.457 21.567 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.301 -1.874 20.837 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.706 0.598 20.600 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.290 -0.949 22.700 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.353 2.815 21.656 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.937 1.269 23.758 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.467 3.151 23.236 1.00 0.00 H new ATOM 416 N ASN A 27 84.139 -3.759 18.357 1.00 0.00 N ATOM 417 CA ASN A 27 84.540 -4.973 17.593 1.00 0.00 C ATOM 418 C ASN A 27 85.585 -5.764 18.386 1.00 0.00 C ATOM 419 O ASN A 27 86.572 -6.219 17.840 1.00 0.00 O ATOM 420 CB ASN A 27 85.123 -4.560 16.237 1.00 0.00 C ATOM 421 CG ASN A 27 84.052 -3.828 15.430 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.303 -2.773 14.884 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.861 -4.349 15.324 1.00 0.00 N ATOM 0 H ASN A 27 83.135 -3.649 18.500 1.00 0.00 H new ATOM 0 HA ASN A 27 83.664 -5.601 17.432 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.990 -3.915 16.382 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.467 -5.440 15.693 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.141 -3.870 14.783 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.649 -5.235 15.782 1.00 0.00 H new ATOM 430 N LEU A 28 85.371 -5.941 19.670 1.00 0.00 N ATOM 431 CA LEU A 28 86.344 -6.711 20.515 1.00 0.00 C ATOM 432 C LEU A 28 85.658 -7.994 20.994 1.00 0.00 C ATOM 433 O LEU A 28 84.454 -8.026 21.145 1.00 0.00 O ATOM 434 CB LEU A 28 86.735 -5.865 21.737 1.00 0.00 C ATOM 435 CG LEU A 28 87.608 -4.677 21.305 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.637 -3.633 22.426 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.048 -5.140 21.009 1.00 0.00 C ATOM 0 H LEU A 28 84.559 -5.583 20.173 1.00 0.00 H new ATOM 0 HA LEU A 28 87.237 -6.950 19.937 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.838 -5.502 22.239 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.276 -6.480 22.456 1.00 0.00 H new ATOM 0 HG LEU A 28 87.183 -4.244 20.399 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.256 -2.789 22.121 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.623 -3.286 22.626 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.052 -4.080 23.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.650 -4.284 20.705 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.478 -5.586 21.906 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.035 -5.878 20.207 1.00 0.00 H new ATOM 449 N PRO A 29 86.402 -9.047 21.240 1.00 0.00 N ATOM 450 CA PRO A 29 85.813 -10.327 21.718 1.00 0.00 C ATOM 451 C PRO A 29 85.312 -10.186 23.157 1.00 0.00 C ATOM 452 O PRO A 29 85.715 -9.284 23.869 1.00 0.00 O ATOM 453 CB PRO A 29 86.974 -11.327 21.629 1.00 0.00 C ATOM 454 CG PRO A 29 88.208 -10.493 21.743 1.00 0.00 C ATOM 455 CD PRO A 29 87.869 -9.143 21.097 1.00 0.00 C ATOM 0 HA PRO A 29 84.950 -10.642 21.131 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.921 -12.066 22.428 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.953 -11.875 20.687 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.497 -10.365 22.786 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.048 -10.968 21.236 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.375 -8.319 21.600 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.173 -9.112 20.051 1.00 0.00 H new ATOM 463 N PRO A 30 84.433 -11.054 23.582 1.00 0.00 N ATOM 464 CA PRO A 30 83.870 -11.002 24.963 1.00 0.00 C ATOM 465 C PRO A 30 84.977 -11.039 26.027 1.00 0.00 C ATOM 466 O PRO A 30 84.773 -10.671 27.164 1.00 0.00 O ATOM 467 CB PRO A 30 82.962 -12.252 25.050 1.00 0.00 C ATOM 468 CG PRO A 30 83.367 -13.126 23.900 1.00 0.00 C ATOM 469 CD PRO A 30 83.889 -12.187 22.813 1.00 0.00 C ATOM 0 HA PRO A 30 83.325 -10.077 25.151 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.096 -12.768 26.001 1.00 0.00 H new ATOM 0 HB3 PRO A 30 81.909 -11.977 24.982 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.136 -13.836 24.203 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.520 -13.709 23.537 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.655 -12.664 22.202 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.094 -11.871 22.138 1.00 0.00 H new ATOM 477 N VAL A 31 86.147 -11.486 25.669 1.00 0.00 N ATOM 478 CA VAL A 31 87.244 -11.559 26.672 1.00 0.00 C ATOM 479 C VAL A 31 87.532 -10.168 27.231 1.00 0.00 C ATOM 480 O VAL A 31 87.569 -9.966 28.429 1.00 0.00 O ATOM 481 CB VAL A 31 88.505 -12.108 25.992 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.702 -12.022 26.946 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.263 -13.564 25.595 1.00 0.00 C ATOM 0 H VAL A 31 86.391 -11.802 24.730 1.00 0.00 H new ATOM 0 HA VAL A 31 86.946 -12.215 27.490 1.00 0.00 H new ATOM 0 HB VAL A 31 88.725 -11.515 25.104 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.590 -12.415 26.451 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.871 -10.982 27.224 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.496 -12.608 27.842 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.155 -13.962 25.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.041 -14.152 26.486 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.421 -13.618 24.905 1.00 0.00 H new ATOM 493 N VAL A 32 87.725 -9.200 26.384 1.00 0.00 N ATOM 494 CA VAL A 32 87.997 -7.829 26.891 1.00 0.00 C ATOM 495 C VAL A 32 86.736 -7.283 27.558 1.00 0.00 C ATOM 496 O VAL A 32 86.784 -6.725 28.636 1.00 0.00 O ATOM 497 CB VAL A 32 88.417 -6.928 25.724 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.455 -5.461 26.180 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.815 -7.351 25.253 1.00 0.00 C ATOM 0 H VAL A 32 87.707 -9.297 25.369 1.00 0.00 H new ATOM 0 HA VAL A 32 88.805 -7.854 27.623 1.00 0.00 H new ATOM 0 HB VAL A 32 87.699 -7.027 24.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.754 -4.828 25.345 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.466 -5.162 26.526 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.172 -5.351 26.994 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.126 -6.718 24.422 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.523 -7.246 26.075 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.790 -8.391 24.927 1.00 0.00 H new ATOM 509 N ALA A 33 85.608 -7.447 26.924 1.00 0.00 N ATOM 510 CA ALA A 33 84.337 -6.946 27.515 1.00 0.00 C ATOM 511 C ALA A 33 84.053 -7.681 28.828 1.00 0.00 C ATOM 512 O ALA A 33 83.690 -7.078 29.820 1.00 0.00 O ATOM 513 CB ALA A 33 83.185 -7.184 26.533 1.00 0.00 C ATOM 0 H ALA A 33 85.512 -7.908 26.019 1.00 0.00 H new ATOM 0 HA ALA A 33 84.429 -5.878 27.713 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.255 -6.817 26.967 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.385 -6.654 25.602 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.094 -8.251 26.330 1.00 0.00 H new ATOM 519 N LYS A 34 84.208 -8.981 28.847 1.00 0.00 N ATOM 520 CA LYS A 34 83.933 -9.733 30.105 1.00 0.00 C ATOM 521 C LYS A 34 84.892 -9.271 31.207 1.00 0.00 C ATOM 522 O LYS A 34 84.508 -9.131 32.349 1.00 0.00 O ATOM 523 CB LYS A 34 84.106 -11.241 29.866 1.00 0.00 C ATOM 524 CG LYS A 34 82.973 -11.776 28.971 1.00 0.00 C ATOM 525 CD LYS A 34 81.705 -12.038 29.797 1.00 0.00 C ATOM 526 CE LYS A 34 80.667 -12.749 28.924 1.00 0.00 C ATOM 527 NZ LYS A 34 81.173 -14.099 28.553 1.00 0.00 N ATOM 0 H LYS A 34 84.510 -9.547 28.054 1.00 0.00 H new ATOM 0 HA LYS A 34 82.907 -9.538 30.416 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.071 -11.433 29.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.105 -11.769 30.819 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.756 -11.056 28.181 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.292 -12.697 28.484 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.944 -12.649 30.667 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.300 -11.097 30.170 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.723 -12.838 29.462 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.469 -12.164 28.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.369 -14.731 28.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.765 -14.026 27.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.739 -14.485 29.335 1.00 0.00 H new ATOM 541 N GLU A 35 86.138 -9.036 30.885 1.00 0.00 N ATOM 542 CA GLU A 35 87.098 -8.593 31.938 1.00 0.00 C ATOM 543 C GLU A 35 86.637 -7.262 32.540 1.00 0.00 C ATOM 544 O GLU A 35 86.689 -7.062 33.737 1.00 0.00 O ATOM 545 CB GLU A 35 88.492 -8.420 31.322 1.00 0.00 C ATOM 546 CG GLU A 35 89.551 -8.377 32.429 1.00 0.00 C ATOM 547 CD GLU A 35 89.427 -7.064 33.205 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.447 -6.022 32.571 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.312 -7.123 34.417 1.00 0.00 O ATOM 0 H GLU A 35 86.529 -9.131 29.948 1.00 0.00 H new ATOM 0 HA GLU A 35 87.137 -9.347 32.724 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.701 -9.243 30.638 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.529 -7.502 30.736 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.422 -9.224 33.103 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.548 -8.463 31.997 1.00 0.00 H new ATOM 556 N ILE A 36 86.182 -6.352 31.724 1.00 0.00 N ATOM 557 CA ILE A 36 85.718 -5.042 32.266 1.00 0.00 C ATOM 558 C ILE A 36 84.496 -5.289 33.142 1.00 0.00 C ATOM 559 O ILE A 36 84.342 -4.713 34.199 1.00 0.00 O ATOM 560 CB ILE A 36 85.358 -4.115 31.105 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.623 -3.846 30.289 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.807 -2.794 31.652 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.286 -3.017 29.049 1.00 0.00 C ATOM 0 H ILE A 36 86.111 -6.456 30.712 1.00 0.00 H new ATOM 0 HA ILE A 36 86.503 -4.573 32.858 1.00 0.00 H new ATOM 0 HB ILE A 36 84.599 -4.581 30.476 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.354 -3.317 30.901 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.080 -4.790 29.991 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.551 -2.135 30.822 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.915 -2.990 32.248 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.562 -2.315 32.276 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.195 -2.832 28.477 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.572 -3.561 28.431 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.850 -2.066 29.355 1.00 0.00 H new ATOM 575 N VAL A 37 83.630 -6.155 32.707 1.00 0.00 N ATOM 576 CA VAL A 37 82.418 -6.467 33.504 1.00 0.00 C ATOM 577 C VAL A 37 82.843 -7.073 34.845 1.00 0.00 C ATOM 578 O VAL A 37 82.286 -6.772 35.880 1.00 0.00 O ATOM 579 CB VAL A 37 81.565 -7.470 32.716 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.453 -8.030 33.603 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.943 -6.763 31.505 1.00 0.00 C ATOM 0 H VAL A 37 83.711 -6.664 31.827 1.00 0.00 H new ATOM 0 HA VAL A 37 81.838 -5.563 33.693 1.00 0.00 H new ATOM 0 HB VAL A 37 82.199 -8.292 32.382 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.855 -8.740 33.032 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.893 -8.535 34.463 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.817 -7.215 33.947 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.336 -7.472 30.942 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.316 -5.940 31.847 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.735 -6.374 30.864 1.00 0.00 H new ATOM 591 N ALA A 38 83.832 -7.918 34.825 1.00 0.00 N ATOM 592 CA ALA A 38 84.316 -8.550 36.082 1.00 0.00 C ATOM 593 C ALA A 38 85.016 -7.507 36.957 1.00 0.00 C ATOM 594 O ALA A 38 85.023 -7.604 38.166 1.00 0.00 O ATOM 595 CB ALA A 38 85.301 -9.669 35.733 1.00 0.00 C ATOM 0 H ALA A 38 84.332 -8.201 33.982 1.00 0.00 H new ATOM 0 HA ALA A 38 83.468 -8.960 36.630 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.660 -10.137 36.650 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.800 -10.416 35.117 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.145 -9.252 35.184 1.00 0.00 H new ATOM 601 N SER A 39 85.616 -6.517 36.357 1.00 0.00 N ATOM 602 CA SER A 39 86.328 -5.486 37.164 1.00 0.00 C ATOM 603 C SER A 39 85.313 -4.603 37.887 1.00 0.00 C ATOM 604 O SER A 39 85.539 -4.163 38.999 1.00 0.00 O ATOM 605 CB SER A 39 87.196 -4.623 36.247 1.00 0.00 C ATOM 606 OG SER A 39 88.202 -5.436 35.661 1.00 0.00 O ATOM 0 H SER A 39 85.645 -6.377 35.347 1.00 0.00 H new ATOM 0 HA SER A 39 86.961 -5.982 37.899 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.583 -4.165 35.471 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.651 -3.811 36.814 1.00 0.00 H new ATOM 0 HG SER A 39 87.788 -6.077 35.046 1.00 0.00 H new ATOM 612 N CYS A 40 84.195 -4.340 37.276 1.00 0.00 N ATOM 613 CA CYS A 40 83.175 -3.485 37.945 1.00 0.00 C ATOM 614 C CYS A 40 82.494 -4.292 39.058 1.00 0.00 C ATOM 615 O CYS A 40 81.816 -5.270 38.810 1.00 0.00 O ATOM 616 CB CYS A 40 82.137 -3.050 36.912 1.00 0.00 C ATOM 617 SG CYS A 40 81.018 -1.830 37.649 1.00 0.00 S ATOM 0 H CYS A 40 83.942 -4.677 36.347 1.00 0.00 H new ATOM 0 HA CYS A 40 83.649 -2.604 38.377 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.633 -2.623 36.041 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.571 -3.914 36.565 1.00 0.00 H new ATOM 0 HG CYS A 40 80.429 -1.156 36.706 1.00 0.00 H new ATOM 622 N ASP A 41 82.677 -3.888 40.287 1.00 0.00 N ATOM 623 CA ASP A 41 82.057 -4.636 41.422 1.00 0.00 C ATOM 624 C ASP A 41 80.529 -4.645 41.288 1.00 0.00 C ATOM 625 O ASP A 41 79.882 -5.636 41.567 1.00 0.00 O ATOM 626 CB ASP A 41 82.453 -3.962 42.739 1.00 0.00 C ATOM 627 CG ASP A 41 83.936 -4.231 43.023 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.312 -5.392 43.049 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.668 -3.274 43.204 1.00 0.00 O ATOM 0 H ASP A 41 83.229 -3.073 40.555 1.00 0.00 H new ATOM 0 HA ASP A 41 82.413 -5.666 41.408 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.271 -2.889 42.680 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.840 -4.345 43.555 1.00 0.00 H new ATOM 634 N LYS A 42 79.947 -3.553 40.883 1.00 0.00 N ATOM 635 CA LYS A 42 78.464 -3.504 40.748 1.00 0.00 C ATOM 636 C LYS A 42 77.992 -4.554 39.739 1.00 0.00 C ATOM 637 O LYS A 42 76.987 -5.203 39.936 1.00 0.00 O ATOM 638 CB LYS A 42 78.032 -2.118 40.271 1.00 0.00 C ATOM 639 CG LYS A 42 78.256 -1.097 41.387 1.00 0.00 C ATOM 640 CD LYS A 42 77.822 0.285 40.900 1.00 0.00 C ATOM 641 CE LYS A 42 78.037 1.311 42.013 1.00 0.00 C ATOM 642 NZ LYS A 42 77.835 2.681 41.460 1.00 0.00 N ATOM 0 H LYS A 42 80.434 -2.690 40.639 1.00 0.00 H new ATOM 0 HA LYS A 42 78.018 -3.712 41.720 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.600 -1.834 39.385 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.981 -2.133 39.984 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.687 -1.379 42.273 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.307 -1.080 41.675 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.394 0.567 40.016 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.772 0.266 40.607 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.340 1.129 42.831 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.042 1.216 42.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.980 3.384 42.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.517 2.850 40.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.867 2.766 41.088 1.00 0.00 H new ATOM 656 N CYS A 43 78.702 -4.722 38.654 1.00 0.00 N ATOM 657 CA CYS A 43 78.274 -5.730 37.641 1.00 0.00 C ATOM 658 C CYS A 43 78.668 -7.134 38.107 1.00 0.00 C ATOM 659 O CYS A 43 78.029 -8.112 37.770 1.00 0.00 O ATOM 660 CB CYS A 43 78.951 -5.461 36.299 1.00 0.00 C ATOM 661 SG CYS A 43 78.657 -3.757 35.775 1.00 0.00 S ATOM 0 H CYS A 43 79.554 -4.209 38.427 1.00 0.00 H new ATOM 0 HA CYS A 43 77.192 -5.659 37.526 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.023 -5.643 36.382 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.568 -6.151 35.547 1.00 0.00 H new ATOM 0 HG CYS A 43 79.527 -2.973 36.340 1.00 0.00 H new ATOM 666 N GLN A 44 79.730 -7.240 38.857 1.00 0.00 N ATOM 667 CA GLN A 44 80.185 -8.583 39.322 1.00 0.00 C ATOM 668 C GLN A 44 79.237 -9.113 40.398 1.00 0.00 C ATOM 669 O GLN A 44 78.424 -9.975 40.146 1.00 0.00 O ATOM 670 CB GLN A 44 81.590 -8.463 39.911 1.00 0.00 C ATOM 671 CG GLN A 44 82.130 -9.861 40.228 1.00 0.00 C ATOM 672 CD GLN A 44 83.599 -9.762 40.639 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.519 -9.700 39.716 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.915 -9.742 41.811 1.00 0.00 N ATOM 0 H GLN A 44 80.303 -6.456 39.169 1.00 0.00 H new ATOM 0 HA GLN A 44 80.191 -9.270 38.476 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.250 -7.958 39.206 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.566 -7.856 40.816 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.547 -10.314 41.030 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.029 -10.507 39.356 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.197 -9.790 42.534 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.899 -9.677 42.073 1.00 0.00 H new ATOM 844 N PHE B 1 93.685 -14.143 21.737 1.00 0.00 N ATOM 845 CA PHE B 1 92.551 -13.868 22.665 1.00 0.00 C ATOM 846 C PHE B 1 91.942 -15.194 23.141 1.00 0.00 C ATOM 847 O PHE B 1 92.328 -15.740 24.157 1.00 0.00 O ATOM 848 CB PHE B 1 91.479 -13.045 21.943 1.00 0.00 C ATOM 849 CG PHE B 1 91.954 -11.622 21.755 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.830 -11.309 20.713 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.512 -10.617 22.622 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.264 -9.989 20.534 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.945 -9.298 22.448 1.00 0.00 C ATOM 854 CZ PHE B 1 92.821 -8.983 21.402 1.00 0.00 C ATOM 0 H1 PHE B 1 93.644 -13.483 20.934 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.585 -14.018 22.242 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.618 -15.120 21.386 1.00 0.00 H new ATOM 0 HA PHE B 1 92.919 -13.307 23.524 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.257 -13.493 20.975 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.553 -13.054 22.519 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.173 -12.085 20.045 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.835 -10.860 23.428 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.940 -9.747 19.727 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.604 -8.524 23.120 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.155 -7.965 21.265 1.00 0.00 H new ATOM 866 N LEU B 2 90.987 -15.707 22.414 1.00 0.00 N ATOM 867 CA LEU B 2 90.337 -16.989 22.816 1.00 0.00 C ATOM 868 C LEU B 2 91.375 -18.119 22.855 1.00 0.00 C ATOM 869 O LEU B 2 91.348 -18.966 23.727 1.00 0.00 O ATOM 870 CB LEU B 2 89.233 -17.322 21.806 1.00 0.00 C ATOM 871 CG LEU B 2 88.185 -16.199 21.804 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.260 -16.367 20.599 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.347 -16.238 23.095 1.00 0.00 C ATOM 0 H LEU B 2 90.627 -15.292 21.555 1.00 0.00 H new ATOM 0 HA LEU B 2 89.905 -16.885 23.811 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.660 -17.438 20.810 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.764 -18.271 22.064 1.00 0.00 H new ATOM 0 HG LEU B 2 88.702 -15.241 21.747 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.516 -15.570 20.597 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.846 -16.318 19.681 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.757 -17.332 20.658 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.610 -15.435 23.075 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.836 -17.198 23.168 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.001 -16.109 23.957 1.00 0.00 H new ATOM 885 N ASP B 3 92.275 -18.148 21.911 1.00 0.00 N ATOM 886 CA ASP B 3 93.302 -19.236 21.890 1.00 0.00 C ATOM 887 C ASP B 3 94.223 -19.124 23.102 1.00 0.00 C ATOM 888 O ASP B 3 94.491 -20.089 23.786 1.00 0.00 O ATOM 889 CB ASP B 3 94.152 -19.111 20.635 1.00 0.00 C ATOM 890 CG ASP B 3 94.846 -17.749 20.629 1.00 0.00 C ATOM 891 OD1 ASP B 3 94.280 -16.820 21.181 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.937 -17.662 20.087 1.00 0.00 O ATOM 0 H ASP B 3 92.346 -17.469 21.154 1.00 0.00 H new ATOM 0 HA ASP B 3 92.785 -20.195 21.909 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.893 -19.910 20.603 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.529 -19.218 19.747 1.00 0.00 H new ATOM 897 N GLY B 4 94.713 -17.950 23.360 1.00 0.00 N ATOM 898 CA GLY B 4 95.627 -17.758 24.524 1.00 0.00 C ATOM 899 C GLY B 4 94.933 -18.248 25.798 1.00 0.00 C ATOM 900 O GLY B 4 95.548 -18.817 26.681 1.00 0.00 O ATOM 0 H GLY B 4 94.522 -17.109 22.816 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.555 -18.308 24.367 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.893 -16.706 24.623 1.00 0.00 H new ATOM 904 N ILE B 5 93.654 -18.034 25.893 1.00 0.00 N ATOM 905 CA ILE B 5 92.904 -18.483 27.097 1.00 0.00 C ATOM 906 C ILE B 5 92.896 -20.013 27.178 1.00 0.00 C ATOM 907 O ILE B 5 92.997 -20.583 28.245 1.00 0.00 O ATOM 908 CB ILE B 5 91.471 -17.949 27.028 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.490 -16.444 27.293 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.596 -18.651 28.072 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.115 -15.852 26.992 1.00 0.00 C ATOM 0 H ILE B 5 93.091 -17.564 25.184 1.00 0.00 H new ATOM 0 HA ILE B 5 93.392 -18.095 27.991 1.00 0.00 H new ATOM 0 HB ILE B 5 91.056 -18.144 26.039 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.761 -16.251 28.331 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.247 -15.965 26.672 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.579 -18.264 28.014 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.587 -19.723 27.878 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.999 -18.466 29.068 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.131 -14.779 27.182 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.862 -16.032 25.947 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.368 -16.322 27.632 1.00 0.00 H new ATOM 923 N ASP B 6 92.745 -20.679 26.071 1.00 0.00 N ATOM 924 CA ASP B 6 92.699 -22.168 26.114 1.00 0.00 C ATOM 925 C ASP B 6 94.003 -22.700 26.705 1.00 0.00 C ATOM 926 O ASP B 6 93.998 -23.538 27.585 1.00 0.00 O ATOM 927 CB ASP B 6 92.509 -22.715 24.693 1.00 0.00 C ATOM 928 CG ASP B 6 92.438 -24.246 24.722 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.959 -24.830 25.657 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.856 -24.806 23.809 1.00 0.00 O ATOM 0 H ASP B 6 92.652 -20.263 25.144 1.00 0.00 H new ATOM 0 HA ASP B 6 91.865 -22.491 26.737 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.596 -22.309 24.258 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.335 -22.394 24.058 1.00 0.00 H new ATOM 935 N LYS B 7 95.118 -22.220 26.241 1.00 0.00 N ATOM 936 CA LYS B 7 96.415 -22.702 26.794 1.00 0.00 C ATOM 937 C LYS B 7 96.572 -22.202 28.233 1.00 0.00 C ATOM 938 O LYS B 7 97.023 -22.914 29.106 1.00 0.00 O ATOM 939 CB LYS B 7 97.553 -22.153 25.936 1.00 0.00 C ATOM 940 CG LYS B 7 97.509 -22.815 24.561 1.00 0.00 C ATOM 941 CD LYS B 7 98.645 -22.262 23.701 1.00 0.00 C ATOM 942 CE LYS B 7 98.608 -22.920 22.323 1.00 0.00 C ATOM 943 NZ LYS B 7 99.716 -22.378 21.481 1.00 0.00 N ATOM 0 H LYS B 7 95.191 -21.517 25.505 1.00 0.00 H new ATOM 0 HA LYS B 7 96.440 -23.792 26.787 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.460 -21.072 25.835 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.512 -22.347 26.416 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.606 -23.896 24.661 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.548 -22.624 24.083 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.547 -21.181 23.602 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.605 -22.453 24.181 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.708 -24.001 22.422 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.647 -22.731 21.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.690 -22.826 20.543 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.601 -21.350 21.377 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.629 -22.580 21.936 1.00 0.00 H new ATOM 957 N ALA B 8 96.197 -20.977 28.480 1.00 0.00 N ATOM 958 CA ALA B 8 96.314 -20.413 29.857 1.00 0.00 C ATOM 959 C ALA B 8 95.300 -21.080 30.792 1.00 0.00 C ATOM 960 O ALA B 8 95.567 -21.302 31.956 1.00 0.00 O ATOM 961 CB ALA B 8 96.051 -18.904 29.802 1.00 0.00 C ATOM 0 H ALA B 8 95.812 -20.338 27.784 1.00 0.00 H new ATOM 0 HA ALA B 8 97.317 -20.601 30.240 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.134 -18.483 30.804 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.783 -18.431 29.148 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.048 -18.723 29.415 1.00 0.00 H new ATOM 967 N GLN B 9 94.135 -21.391 30.295 1.00 0.00 N ATOM 968 CA GLN B 9 93.100 -22.028 31.158 1.00 0.00 C ATOM 969 C GLN B 9 93.624 -23.366 31.682 1.00 0.00 C ATOM 970 O GLN B 9 94.300 -24.096 30.983 1.00 0.00 O ATOM 971 CB GLN B 9 91.829 -22.263 30.338 1.00 0.00 C ATOM 972 CG GLN B 9 90.762 -22.916 31.222 1.00 0.00 C ATOM 973 CD GLN B 9 89.460 -23.065 30.430 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.328 -22.533 29.349 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.486 -23.779 30.927 1.00 0.00 N ATOM 0 H GLN B 9 93.854 -21.231 29.327 1.00 0.00 H new ATOM 0 HA GLN B 9 92.875 -21.373 32.000 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.459 -21.317 29.942 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.049 -22.902 29.483 1.00 0.00 H new ATOM 0 HG2 GLN B 9 91.106 -23.892 31.563 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.591 -22.310 32.111 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.595 -24.228 31.837 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.616 -23.888 30.406 1.00 0.00 H new ATOM 984 N GLU B 10 93.323 -23.684 32.913 1.00 0.00 N ATOM 985 CA GLU B 10 93.804 -24.970 33.491 1.00 0.00 C ATOM 986 C GLU B 10 93.038 -25.291 34.775 1.00 0.00 C ATOM 987 O GLU B 10 92.129 -24.586 35.168 1.00 0.00 O ATOM 988 CB GLU B 10 95.296 -24.860 33.793 1.00 0.00 C ATOM 989 CG GLU B 10 95.545 -23.713 34.781 1.00 0.00 C ATOM 990 CD GLU B 10 97.048 -23.574 35.032 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.777 -23.439 34.065 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.445 -23.597 36.188 1.00 0.00 O ATOM 0 H GLU B 10 92.764 -23.108 33.543 1.00 0.00 H new ATOM 0 HA GLU B 10 93.634 -25.772 32.773 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.661 -25.798 34.211 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.851 -24.685 32.871 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.144 -22.781 34.382 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.025 -23.907 35.719 1.00 0.00 H new ATOM 999 N GLU B 11 93.400 -26.361 35.429 1.00 0.00 N ATOM 1000 CA GLU B 11 92.700 -26.750 36.687 1.00 0.00 C ATOM 1001 C GLU B 11 92.848 -25.642 37.734 1.00 0.00 C ATOM 1002 O GLU B 11 93.758 -24.835 37.677 1.00 0.00 O ATOM 1003 CB GLU B 11 93.302 -28.049 37.226 1.00 0.00 C ATOM 1004 CG GLU B 11 92.919 -29.214 36.310 1.00 0.00 C ATOM 1005 CD GLU B 11 93.545 -30.507 36.836 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.717 -30.726 36.575 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.843 -31.255 37.498 1.00 0.00 O ATOM 0 H GLU B 11 94.154 -26.986 35.145 1.00 0.00 H new ATOM 0 HA GLU B 11 91.641 -26.899 36.475 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.387 -27.961 37.285 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.942 -28.236 38.238 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.835 -29.314 36.267 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.262 -29.019 35.294 1.00 0.00 H new ATOM 1014 N HIS B 12 91.953 -25.594 38.691 1.00 0.00 N ATOM 1015 CA HIS B 12 92.034 -24.540 39.747 1.00 0.00 C ATOM 1016 C HIS B 12 93.134 -24.904 40.743 1.00 0.00 C ATOM 1017 O HIS B 12 92.872 -25.311 41.858 1.00 0.00 O ATOM 1018 CB HIS B 12 90.690 -24.459 40.477 1.00 0.00 C ATOM 1019 CG HIS B 12 90.786 -23.508 41.637 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.597 -22.138 41.493 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.014 -23.719 42.971 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.706 -21.585 42.718 1.00 0.00 C ATOM 1023 NE2 HIS B 12 90.960 -22.508 43.649 1.00 0.00 N ATOM 0 H HIS B 12 91.170 -26.240 38.785 1.00 0.00 H new ATOM 0 HA HIS B 12 92.263 -23.577 39.291 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.913 -24.127 39.788 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.400 -25.448 40.831 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.410 -21.643 40.621 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.206 -24.680 43.426 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.601 -20.529 42.921 1.00 0.00 H new ATOM 1031 N GLU B 13 94.370 -24.768 40.340 1.00 0.00 N ATOM 1032 CA GLU B 13 95.508 -25.111 41.249 1.00 0.00 C ATOM 1033 C GLU B 13 96.056 -23.834 41.900 1.00 0.00 C ATOM 1034 O GLU B 13 95.398 -22.818 41.939 1.00 0.00 O ATOM 1035 CB GLU B 13 96.614 -25.780 40.432 1.00 0.00 C ATOM 1036 CG GLU B 13 96.151 -27.170 39.981 1.00 0.00 C ATOM 1037 CD GLU B 13 97.187 -27.770 39.028 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.802 -27.008 38.300 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.347 -28.980 39.037 1.00 0.00 O ATOM 0 H GLU B 13 94.643 -24.433 39.416 1.00 0.00 H new ATOM 0 HA GLU B 13 95.160 -25.789 42.029 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.860 -25.168 39.564 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.521 -25.864 41.030 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.019 -27.819 40.846 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.183 -27.099 39.485 1.00 0.00 H new ATOM 1046 N LYS B 14 97.260 -23.884 42.413 1.00 0.00 N ATOM 1047 CA LYS B 14 97.852 -22.680 43.067 1.00 0.00 C ATOM 1048 C LYS B 14 98.144 -21.628 42.003 1.00 0.00 C ATOM 1049 O LYS B 14 98.171 -20.444 42.272 1.00 0.00 O ATOM 1050 CB LYS B 14 99.158 -23.071 43.756 1.00 0.00 C ATOM 1051 CG LYS B 14 98.857 -23.974 44.952 1.00 0.00 C ATOM 1052 CD LYS B 14 100.168 -24.361 45.631 1.00 0.00 C ATOM 1053 CE LYS B 14 99.866 -25.258 46.825 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.057 -26.424 46.380 1.00 0.00 N ATOM 0 H LYS B 14 97.859 -24.710 42.406 1.00 0.00 H new ATOM 0 HA LYS B 14 97.154 -22.280 43.803 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.811 -23.588 43.053 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.688 -22.178 44.086 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.206 -23.458 45.658 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.326 -24.868 44.624 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.818 -24.880 44.926 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.700 -23.468 45.957 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.795 -25.600 47.280 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.325 -24.697 47.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.174 -27.206 47.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.054 -26.153 46.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.377 -26.729 45.439 1.00 0.00 H new ATOM 1068 N TYR B 15 98.363 -22.053 40.790 1.00 0.00 N ATOM 1069 CA TYR B 15 98.656 -21.080 39.706 1.00 0.00 C ATOM 1070 C TYR B 15 97.477 -20.113 39.573 1.00 0.00 C ATOM 1071 O TYR B 15 97.661 -18.931 39.362 1.00 0.00 O ATOM 1072 CB TYR B 15 98.875 -21.831 38.386 1.00 0.00 C ATOM 1073 CG TYR B 15 100.281 -22.387 38.346 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.580 -23.605 38.973 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.287 -21.679 37.682 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.887 -24.112 38.930 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.591 -22.182 37.640 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.894 -23.399 38.260 1.00 0.00 C ATOM 1079 OH TYR B 15 104.183 -23.895 38.217 1.00 0.00 O ATOM 0 H TYR B 15 98.351 -23.032 40.504 1.00 0.00 H new ATOM 0 HA TYR B 15 99.559 -20.519 39.944 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.150 -22.640 38.292 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.715 -21.159 37.543 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.805 -24.152 39.489 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.056 -20.741 37.200 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.119 -25.050 39.412 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.366 -21.630 37.128 1.00 0.00 H new ATOM 0 HH TYR B 15 104.754 -23.278 37.713 1.00 0.00 H new ATOM 1089 N HIS B 16 96.269 -20.593 39.713 1.00 0.00 N ATOM 1090 CA HIS B 16 95.097 -19.674 39.611 1.00 0.00 C ATOM 1091 C HIS B 16 95.218 -18.597 40.697 1.00 0.00 C ATOM 1092 O HIS B 16 94.939 -17.437 40.462 1.00 0.00 O ATOM 1093 CB HIS B 16 93.792 -20.468 39.816 1.00 0.00 C ATOM 1094 CG HIS B 16 93.343 -21.094 38.521 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.011 -21.427 38.284 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.023 -21.441 37.378 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.937 -21.945 37.045 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.132 -21.975 36.451 1.00 0.00 N ATOM 0 H HIS B 16 96.044 -21.572 39.892 1.00 0.00 H new ATOM 0 HA HIS B 16 95.078 -19.209 38.625 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.946 -21.243 40.567 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.013 -19.806 40.196 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.085 -21.318 37.223 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.023 -22.294 36.587 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.347 -22.317 35.515 1.00 0.00 H new ATOM 1106 N SER B 17 95.644 -18.960 41.881 1.00 0.00 N ATOM 1107 CA SER B 17 95.785 -17.935 42.954 1.00 0.00 C ATOM 1108 C SER B 17 96.811 -16.894 42.508 1.00 0.00 C ATOM 1109 O SER B 17 96.624 -15.707 42.684 1.00 0.00 O ATOM 1110 CB SER B 17 96.272 -18.599 44.246 1.00 0.00 C ATOM 1111 OG SER B 17 97.641 -18.961 44.106 1.00 0.00 O ATOM 0 H SER B 17 95.897 -19.912 42.147 1.00 0.00 H new ATOM 0 HA SER B 17 94.820 -17.461 43.136 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.149 -17.916 45.087 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.671 -19.482 44.462 1.00 0.00 H new ATOM 0 HG SER B 17 97.708 -19.796 43.598 1.00 0.00 H new ATOM 1117 N ASN B 18 97.893 -17.333 41.916 1.00 0.00 N ATOM 1118 CA ASN B 18 98.939 -16.379 41.437 1.00 0.00 C ATOM 1119 C ASN B 18 98.738 -16.114 39.943 1.00 0.00 C ATOM 1120 O ASN B 18 99.275 -16.810 39.104 1.00 0.00 O ATOM 1121 CB ASN B 18 100.323 -16.996 41.659 1.00 0.00 C ATOM 1122 CG ASN B 18 100.635 -17.023 43.157 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.059 -16.274 43.922 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.524 -17.862 43.613 1.00 0.00 N ATOM 0 H ASN B 18 98.098 -18.317 41.743 1.00 0.00 H new ATOM 0 HA ASN B 18 98.861 -15.442 41.988 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.352 -18.007 41.252 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.080 -16.418 41.129 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.735 -17.889 44.611 1.00 0.00 H new ATOM 0 HD22 ASN B 18 102.008 -18.491 42.972 1.00 0.00 H new ATOM 1131 N TRP B 19 97.973 -15.116 39.598 1.00 0.00 N ATOM 1132 CA TRP B 19 97.752 -14.816 38.159 1.00 0.00 C ATOM 1133 C TRP B 19 99.025 -14.218 37.549 1.00 0.00 C ATOM 1134 O TRP B 19 99.252 -14.311 36.358 1.00 0.00 O ATOM 1135 CB TRP B 19 96.570 -13.860 37.995 1.00 0.00 C ATOM 1136 CG TRP B 19 96.885 -12.525 38.592 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.482 -12.105 39.812 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.644 -11.426 38.012 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.944 -10.816 40.018 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.668 -10.355 38.938 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.311 -11.256 36.785 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.326 -9.157 38.653 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.973 -10.052 36.498 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.981 -9.005 37.428 1.00 0.00 C ATOM 0 H TRP B 19 97.492 -14.497 40.251 1.00 0.00 H new ATOM 0 HA TRP B 19 97.518 -15.741 37.633 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.333 -13.744 36.937 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.686 -14.280 38.476 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.895 -12.681 40.512 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.770 -10.274 40.864 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.314 -12.056 36.060 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.329 -8.353 39.374 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.480 -9.932 35.552 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.492 -8.082 37.199 1.00 0.00 H new ATOM 1155 N ARG B 20 99.861 -13.608 38.354 1.00 0.00 N ATOM 1156 CA ARG B 20 101.115 -13.003 37.805 1.00 0.00 C ATOM 1157 C ARG B 20 101.975 -14.088 37.158 1.00 0.00 C ATOM 1158 O ARG B 20 102.555 -13.884 36.111 1.00 0.00 O ATOM 1159 CB ARG B 20 101.929 -12.377 38.952 1.00 0.00 C ATOM 1160 CG ARG B 20 101.229 -11.116 39.487 1.00 0.00 C ATOM 1161 CD ARG B 20 101.634 -9.891 38.655 1.00 0.00 C ATOM 1162 NE ARG B 20 103.126 -9.689 38.718 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.756 -9.483 39.849 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.090 -9.307 40.957 1.00 0.00 N ATOM 1165 NH2 ARG B 20 105.063 -9.411 39.860 1.00 0.00 N ATOM 0 H ARG B 20 99.731 -13.503 39.360 1.00 0.00 H new ATOM 0 HA ARG B 20 100.844 -12.246 37.069 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.050 -13.102 39.757 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.929 -12.123 38.599 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.148 -11.248 39.450 1.00 0.00 H new ATOM 0 HG3 ARG B 20 101.496 -10.959 40.532 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.321 -10.026 37.620 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.123 -9.003 39.029 1.00 0.00 H new ATOM 0 HE ARG B 20 103.664 -9.713 37.852 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.070 -9.329 40.948 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.589 -9.147 41.832 1.00 0.00 H new ATOM 0 HH21 ARG B 20 105.587 -9.515 38.991 1.00 0.00 H new ATOM 0 HH22 ARG B 20 105.558 -9.251 40.738 1.00 0.00 H new ATOM 1179 N ALA B 21 102.069 -15.230 37.773 1.00 0.00 N ATOM 1180 CA ALA B 21 102.901 -16.326 37.195 1.00 0.00 C ATOM 1181 C ALA B 21 102.372 -16.718 35.813 1.00 0.00 C ATOM 1182 O ALA B 21 103.116 -16.814 34.856 1.00 0.00 O ATOM 1183 CB ALA B 21 102.861 -17.538 38.129 1.00 0.00 C ATOM 0 H ALA B 21 101.606 -15.456 38.653 1.00 0.00 H new ATOM 0 HA ALA B 21 103.929 -15.979 37.090 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.468 -18.341 37.710 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.255 -17.258 39.106 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.832 -17.880 38.237 1.00 0.00 H new ATOM 1189 N MET B 22 101.095 -16.956 35.704 1.00 0.00 N ATOM 1190 CA MET B 22 100.521 -17.354 34.389 1.00 0.00 C ATOM 1191 C MET B 22 100.709 -16.227 33.374 1.00 0.00 C ATOM 1192 O MET B 22 101.030 -16.462 32.225 1.00 0.00 O ATOM 1193 CB MET B 22 99.032 -17.644 34.557 1.00 0.00 C ATOM 1194 CG MET B 22 98.450 -18.132 33.230 1.00 0.00 C ATOM 1195 SD MET B 22 96.748 -18.691 33.484 1.00 0.00 S ATOM 1196 CE MET B 22 96.047 -17.095 33.975 1.00 0.00 C ATOM 0 H MET B 22 100.424 -16.892 36.469 1.00 0.00 H new ATOM 0 HA MET B 22 101.033 -18.246 34.029 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.883 -18.398 35.330 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.511 -16.744 34.885 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.474 -17.329 32.493 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.056 -18.947 32.833 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.983 -17.078 33.741 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.185 -16.951 35.047 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.551 -16.294 33.434 1.00 0.00 H new ATOM 1206 N ALA B 23 100.517 -15.005 33.786 1.00 0.00 N ATOM 1207 CA ALA B 23 100.690 -13.868 32.840 1.00 0.00 C ATOM 1208 C ALA B 23 102.153 -13.789 32.416 1.00 0.00 C ATOM 1209 O ALA B 23 102.470 -13.541 31.270 1.00 0.00 O ATOM 1210 CB ALA B 23 100.283 -12.563 33.532 1.00 0.00 C ATOM 0 H ALA B 23 100.248 -14.745 34.735 1.00 0.00 H new ATOM 0 HA ALA B 23 100.063 -14.020 31.961 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.409 -11.730 32.841 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.239 -12.624 33.840 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.911 -12.405 34.409 1.00 0.00 H new ATOM 1216 N SER B 24 103.049 -14.001 33.335 1.00 0.00 N ATOM 1217 CA SER B 24 104.492 -13.948 32.994 1.00 0.00 C ATOM 1218 C SER B 24 104.858 -15.148 32.117 1.00 0.00 C ATOM 1219 O SER B 24 105.637 -15.037 31.189 1.00 0.00 O ATOM 1220 CB SER B 24 105.327 -13.958 34.275 1.00 0.00 C ATOM 1221 OG SER B 24 106.700 -13.812 33.940 1.00 0.00 O ATOM 0 H SER B 24 102.842 -14.210 34.312 1.00 0.00 H new ATOM 0 HA SER B 24 104.700 -13.030 32.444 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.013 -13.148 34.934 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.170 -14.890 34.818 1.00 0.00 H new ATOM 0 HG SER B 24 107.239 -13.816 34.759 1.00 0.00 H new ATOM 1227 N ASP B 25 104.319 -16.300 32.420 1.00 0.00 N ATOM 1228 CA ASP B 25 104.648 -17.521 31.622 1.00 0.00 C ATOM 1229 C ASP B 25 104.234 -17.342 30.159 1.00 0.00 C ATOM 1230 O ASP B 25 104.936 -17.749 29.256 1.00 0.00 O ATOM 1231 CB ASP B 25 103.891 -18.723 32.199 1.00 0.00 C ATOM 1232 CG ASP B 25 104.475 -19.099 33.558 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.682 -19.019 33.709 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.701 -19.470 34.425 1.00 0.00 O ATOM 0 H ASP B 25 103.664 -16.449 33.187 1.00 0.00 H new ATOM 0 HA ASP B 25 105.725 -17.685 31.672 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.833 -18.483 32.302 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.961 -19.570 31.516 1.00 0.00 H new ATOM 1239 N PHE B 26 103.097 -16.748 29.915 1.00 0.00 N ATOM 1240 CA PHE B 26 102.629 -16.555 28.507 1.00 0.00 C ATOM 1241 C PHE B 26 102.922 -15.122 28.063 1.00 0.00 C ATOM 1242 O PHE B 26 102.573 -14.718 26.971 1.00 0.00 O ATOM 1243 CB PHE B 26 101.124 -16.816 28.439 1.00 0.00 C ATOM 1244 CG PHE B 26 100.853 -18.295 28.583 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.900 -19.128 27.461 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.546 -18.829 29.841 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.643 -20.497 27.594 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.287 -20.198 29.974 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.335 -21.032 28.851 1.00 0.00 C ATOM 0 H PHE B 26 102.468 -16.386 30.632 1.00 0.00 H new ATOM 0 HA PHE B 26 103.151 -17.249 27.848 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.614 -16.265 29.229 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.726 -16.455 27.491 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.135 -18.715 26.491 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.509 -18.185 30.707 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.682 -21.141 26.728 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.050 -20.611 30.943 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.134 -22.088 28.954 1.00 0.00 H new ATOM 1259 N ASN B 27 103.564 -14.351 28.896 1.00 0.00 N ATOM 1260 CA ASN B 27 103.884 -12.948 28.517 1.00 0.00 C ATOM 1261 C ASN B 27 102.602 -12.227 28.077 1.00 0.00 C ATOM 1262 O ASN B 27 102.590 -11.525 27.086 1.00 0.00 O ATOM 1263 CB ASN B 27 104.906 -12.943 27.370 1.00 0.00 C ATOM 1264 CG ASN B 27 106.205 -13.604 27.840 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.749 -14.455 27.164 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.725 -13.248 28.982 1.00 0.00 N ATOM 0 H ASN B 27 103.881 -14.633 29.824 1.00 0.00 H new ATOM 0 HA ASN B 27 104.309 -12.429 29.376 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.505 -13.477 26.509 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.102 -11.920 27.048 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.588 -13.684 29.307 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.269 -12.534 29.550 1.00 0.00 H new ATOM 1273 N LEU B 28 101.522 -12.392 28.811 1.00 0.00 N ATOM 1274 CA LEU B 28 100.234 -11.715 28.447 1.00 0.00 C ATOM 1275 C LEU B 28 99.901 -10.696 29.539 1.00 0.00 C ATOM 1276 O LEU B 28 100.276 -10.875 30.677 1.00 0.00 O ATOM 1277 CB LEU B 28 99.117 -12.765 28.384 1.00 0.00 C ATOM 1278 CG LEU B 28 99.316 -13.681 27.167 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.462 -14.937 27.341 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.899 -12.966 25.868 1.00 0.00 C ATOM 0 H LEU B 28 101.479 -12.970 29.650 1.00 0.00 H new ATOM 0 HA LEU B 28 100.326 -11.219 27.481 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.114 -13.359 29.298 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.147 -12.271 28.322 1.00 0.00 H new ATOM 0 HG LEU B 28 100.372 -13.944 27.098 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.598 -15.592 26.480 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.766 -15.461 28.247 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.412 -14.655 27.419 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.049 -13.635 25.020 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.847 -12.687 25.928 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.505 -12.070 25.735 1.00 0.00 H new ATOM 1292 N PRO B 29 99.203 -9.635 29.214 1.00 0.00 N ATOM 1293 CA PRO B 29 98.835 -8.604 30.221 1.00 0.00 C ATOM 1294 C PRO B 29 97.796 -9.155 31.202 1.00 0.00 C ATOM 1295 O PRO B 29 97.136 -10.136 30.922 1.00 0.00 O ATOM 1296 CB PRO B 29 98.259 -7.453 29.377 1.00 0.00 C ATOM 1297 CG PRO B 29 97.762 -8.105 28.127 1.00 0.00 C ATOM 1298 CD PRO B 29 98.690 -9.298 27.872 1.00 0.00 C ATOM 0 HA PRO B 29 99.678 -8.285 30.833 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.453 -6.942 29.903 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.021 -6.705 29.157 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.729 -8.433 28.243 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.784 -7.408 27.289 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.153 -10.135 27.427 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.498 -9.038 27.188 1.00 0.00 H new ATOM 1306 N PRO B 30 97.659 -8.549 32.345 1.00 0.00 N ATOM 1307 CA PRO B 30 96.684 -9.010 33.374 1.00 0.00 C ATOM 1308 C PRO B 30 95.257 -9.067 32.816 1.00 0.00 C ATOM 1309 O PRO B 30 94.388 -9.709 33.369 1.00 0.00 O ATOM 1310 CB PRO B 30 96.800 -7.957 34.503 1.00 0.00 C ATOM 1311 CG PRO B 30 97.505 -6.784 33.884 1.00 0.00 C ATOM 1312 CD PRO B 30 98.400 -7.361 32.792 1.00 0.00 C ATOM 0 HA PRO B 30 96.898 -10.021 33.719 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.817 -7.672 34.877 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.361 -8.350 35.351 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.790 -6.074 33.468 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.093 -6.246 34.627 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.552 -6.651 31.979 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.386 -7.622 33.176 1.00 0.00 H new ATOM 1320 N VAL B 31 95.004 -8.389 31.733 1.00 0.00 N ATOM 1321 CA VAL B 31 93.626 -8.398 31.168 1.00 0.00 C ATOM 1322 C VAL B 31 93.219 -9.825 30.808 1.00 0.00 C ATOM 1323 O VAL B 31 92.165 -10.296 31.189 1.00 0.00 O ATOM 1324 CB VAL B 31 93.603 -7.521 29.913 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.257 -7.647 29.200 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.837 -6.067 30.313 1.00 0.00 C ATOM 0 H VAL B 31 95.686 -7.833 31.217 1.00 0.00 H new ATOM 0 HA VAL B 31 92.924 -8.010 31.906 1.00 0.00 H new ATOM 0 HB VAL B 31 94.390 -7.850 29.234 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.256 -7.018 28.310 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.094 -8.685 28.910 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.459 -7.328 29.870 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.822 -5.438 29.423 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.051 -5.747 30.997 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.806 -5.976 30.805 1.00 0.00 H new ATOM 1336 N VAL B 32 94.042 -10.521 30.087 1.00 0.00 N ATOM 1337 CA VAL B 32 93.689 -11.917 29.723 1.00 0.00 C ATOM 1338 C VAL B 32 93.722 -12.782 30.981 1.00 0.00 C ATOM 1339 O VAL B 32 92.835 -13.573 31.230 1.00 0.00 O ATOM 1340 CB VAL B 32 94.682 -12.439 28.682 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.486 -13.946 28.483 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.430 -11.718 27.357 1.00 0.00 C ATOM 0 H VAL B 32 94.940 -10.189 29.734 1.00 0.00 H new ATOM 0 HA VAL B 32 92.687 -11.953 29.294 1.00 0.00 H new ATOM 0 HB VAL B 32 95.700 -12.254 29.024 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.196 -14.310 27.741 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.652 -14.462 29.428 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.470 -14.138 28.138 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.132 -12.081 26.606 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.410 -11.913 27.025 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.568 -10.646 27.494 1.00 0.00 H new ATOM 1352 N ALA B 33 94.742 -12.629 31.778 1.00 0.00 N ATOM 1353 CA ALA B 33 94.839 -13.436 33.025 1.00 0.00 C ATOM 1354 C ALA B 33 93.686 -13.080 33.968 1.00 0.00 C ATOM 1355 O ALA B 33 93.062 -13.946 34.547 1.00 0.00 O ATOM 1356 CB ALA B 33 96.173 -13.157 33.719 1.00 0.00 C ATOM 0 H ALA B 33 95.513 -11.980 31.620 1.00 0.00 H new ATOM 0 HA ALA B 33 94.779 -14.494 32.769 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.240 -13.750 34.631 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.993 -13.424 33.052 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.239 -12.098 33.969 1.00 0.00 H new ATOM 1362 N LYS B 34 93.397 -11.813 34.130 1.00 0.00 N ATOM 1363 CA LYS B 34 92.284 -11.425 35.043 1.00 0.00 C ATOM 1364 C LYS B 34 90.962 -11.985 34.518 1.00 0.00 C ATOM 1365 O LYS B 34 90.135 -12.444 35.279 1.00 0.00 O ATOM 1366 CB LYS B 34 92.197 -9.895 35.139 1.00 0.00 C ATOM 1367 CG LYS B 34 93.401 -9.332 35.920 1.00 0.00 C ATOM 1368 CD LYS B 34 93.171 -9.454 37.435 1.00 0.00 C ATOM 1369 CE LYS B 34 94.294 -8.720 38.178 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.200 -7.260 37.900 1.00 0.00 N ATOM 0 H LYS B 34 93.879 -11.039 33.674 1.00 0.00 H new ATOM 0 HA LYS B 34 92.478 -11.835 36.034 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.171 -9.463 34.139 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.269 -9.608 35.634 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.306 -9.871 35.640 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.557 -8.287 35.654 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.204 -9.029 37.703 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.151 -10.504 37.728 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.216 -8.903 39.250 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.265 -9.100 37.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.640 -6.729 38.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.694 -7.043 37.011 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.200 -6.986 37.816 1.00 0.00 H new ATOM 1384 N GLU B 35 90.747 -11.948 33.228 1.00 0.00 N ATOM 1385 CA GLU B 35 89.465 -12.483 32.685 1.00 0.00 C ATOM 1386 C GLU B 35 89.333 -13.972 33.026 1.00 0.00 C ATOM 1387 O GLU B 35 88.276 -14.440 33.400 1.00 0.00 O ATOM 1388 CB GLU B 35 89.434 -12.299 31.161 1.00 0.00 C ATOM 1389 CG GLU B 35 87.994 -12.448 30.656 1.00 0.00 C ATOM 1390 CD GLU B 35 87.554 -13.911 30.767 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.243 -14.760 30.230 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.530 -14.153 31.388 1.00 0.00 O ATOM 0 H GLU B 35 91.396 -11.575 32.535 1.00 0.00 H new ATOM 0 HA GLU B 35 88.633 -11.939 33.133 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.824 -11.317 30.895 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.077 -13.038 30.682 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.327 -11.813 31.239 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.926 -12.116 29.620 1.00 0.00 H new ATOM 1399 N ILE B 36 90.397 -14.721 32.906 1.00 0.00 N ATOM 1400 CA ILE B 36 90.314 -16.173 33.232 1.00 0.00 C ATOM 1401 C ILE B 36 90.035 -16.322 34.724 1.00 0.00 C ATOM 1402 O ILE B 36 89.248 -17.146 35.148 1.00 0.00 O ATOM 1403 CB ILE B 36 91.642 -16.845 32.879 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.854 -16.735 31.367 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.597 -18.321 33.292 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.234 -17.283 30.998 1.00 0.00 C ATOM 0 H ILE B 36 91.313 -14.393 32.599 1.00 0.00 H new ATOM 0 HA ILE B 36 89.514 -16.645 32.661 1.00 0.00 H new ATOM 0 HB ILE B 36 92.462 -16.357 33.406 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.079 -17.291 30.840 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.769 -15.695 31.053 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.544 -18.798 33.040 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.429 -18.393 34.367 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.786 -18.822 32.764 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.381 -17.203 29.921 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.003 -16.708 31.513 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.302 -18.329 31.297 1.00 0.00 H new ATOM 1418 N VAL B 37 90.658 -15.506 35.521 1.00 0.00 N ATOM 1419 CA VAL B 37 90.427 -15.563 36.989 1.00 0.00 C ATOM 1420 C VAL B 37 88.960 -15.235 37.267 1.00 0.00 C ATOM 1421 O VAL B 37 88.322 -15.840 38.106 1.00 0.00 O ATOM 1422 CB VAL B 37 91.340 -14.537 37.669 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.944 -14.373 39.142 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.791 -15.026 37.581 1.00 0.00 C ATOM 0 H VAL B 37 91.323 -14.795 35.217 1.00 0.00 H new ATOM 0 HA VAL B 37 90.652 -16.556 37.378 1.00 0.00 H new ATOM 0 HB VAL B 37 91.239 -13.574 37.168 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.599 -13.642 39.616 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.911 -14.030 39.205 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.040 -15.331 39.653 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.449 -14.302 38.062 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.882 -15.989 38.084 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.075 -15.135 36.534 1.00 0.00 H new ATOM 1434 N ALA B 38 88.427 -14.272 36.572 1.00 0.00 N ATOM 1435 CA ALA B 38 87.004 -13.886 36.784 1.00 0.00 C ATOM 1436 C ALA B 38 86.076 -14.995 36.273 1.00 0.00 C ATOM 1437 O ALA B 38 84.980 -15.179 36.769 1.00 0.00 O ATOM 1438 CB ALA B 38 86.712 -12.593 36.025 1.00 0.00 C ATOM 0 H ALA B 38 88.919 -13.731 35.861 1.00 0.00 H new ATOM 0 HA ALA B 38 86.830 -13.737 37.850 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.671 -12.308 36.178 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.363 -11.800 36.393 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.893 -12.747 34.961 1.00 0.00 H new ATOM 1444 N SER B 39 86.492 -15.723 35.274 1.00 0.00 N ATOM 1445 CA SER B 39 85.620 -16.800 34.727 1.00 0.00 C ATOM 1446 C SER B 39 85.551 -17.965 35.718 1.00 0.00 C ATOM 1447 O SER B 39 84.529 -18.606 35.863 1.00 0.00 O ATOM 1448 CB SER B 39 86.195 -17.293 33.396 1.00 0.00 C ATOM 1449 OG SER B 39 86.176 -16.233 32.450 1.00 0.00 O ATOM 0 H SER B 39 87.396 -15.619 34.814 1.00 0.00 H new ATOM 0 HA SER B 39 84.616 -16.406 34.568 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.215 -17.650 33.538 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.612 -18.136 33.025 1.00 0.00 H new ATOM 0 HG SER B 39 86.812 -15.539 32.724 1.00 0.00 H new ATOM 1455 N CYS B 40 86.622 -18.240 36.407 1.00 0.00 N ATOM 1456 CA CYS B 40 86.604 -19.359 37.392 1.00 0.00 C ATOM 1457 C CYS B 40 85.789 -18.933 38.617 1.00 0.00 C ATOM 1458 O CYS B 40 86.151 -18.021 39.337 1.00 0.00 O ATOM 1459 CB CYS B 40 88.040 -19.694 37.802 1.00 0.00 C ATOM 1460 SG CYS B 40 88.054 -21.196 38.815 1.00 0.00 S ATOM 0 H CYS B 40 87.508 -17.740 36.332 1.00 0.00 H new ATOM 0 HA CYS B 40 86.147 -20.243 36.948 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.657 -19.837 36.915 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.472 -18.863 38.361 1.00 0.00 H new ATOM 0 HG CYS B 40 89.246 -21.714 38.807 1.00 0.00 H new ATOM 1465 N ASP B 41 84.681 -19.581 38.846 1.00 0.00 N ATOM 1466 CA ASP B 41 83.820 -19.222 40.010 1.00 0.00 C ATOM 1467 C ASP B 41 84.594 -19.402 41.319 1.00 0.00 C ATOM 1468 O ASP B 41 84.484 -18.603 42.227 1.00 0.00 O ATOM 1469 CB ASP B 41 82.575 -20.116 40.019 1.00 0.00 C ATOM 1470 CG ASP B 41 81.649 -19.707 38.868 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.298 -18.542 38.803 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.309 -20.566 38.071 1.00 0.00 O ATOM 0 H ASP B 41 84.332 -20.349 38.273 1.00 0.00 H new ATOM 0 HA ASP B 41 83.520 -18.178 39.921 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.864 -21.162 39.915 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.053 -20.023 40.971 1.00 0.00 H new ATOM 1477 N LYS B 42 85.367 -20.445 41.431 1.00 0.00 N ATOM 1478 CA LYS B 42 86.131 -20.670 42.694 1.00 0.00 C ATOM 1479 C LYS B 42 87.074 -19.497 42.960 1.00 0.00 C ATOM 1480 O LYS B 42 87.225 -19.055 44.084 1.00 0.00 O ATOM 1481 CB LYS B 42 86.955 -21.954 42.576 1.00 0.00 C ATOM 1482 CG LYS B 42 86.016 -23.159 42.574 1.00 0.00 C ATOM 1483 CD LYS B 42 86.841 -24.446 42.456 1.00 0.00 C ATOM 1484 CE LYS B 42 85.911 -25.661 42.451 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.700 -26.876 42.094 1.00 0.00 N ATOM 0 H LYS B 42 85.504 -21.150 40.707 1.00 0.00 H new ATOM 0 HA LYS B 42 85.423 -20.757 43.518 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.546 -21.938 41.660 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.657 -22.027 43.407 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.425 -23.175 43.490 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.314 -23.086 41.743 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.433 -24.426 41.541 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.542 -24.517 43.288 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.450 -25.786 43.431 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.103 -25.513 41.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.075 -27.707 42.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.120 -26.752 41.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.456 -27.017 42.794 1.00 0.00 H new ATOM 1499 N CYS B 43 87.706 -18.980 41.942 1.00 0.00 N ATOM 1500 CA CYS B 43 88.639 -17.834 42.147 1.00 0.00 C ATOM 1501 C CYS B 43 87.840 -16.535 42.295 1.00 0.00 C ATOM 1502 O CYS B 43 88.265 -15.610 42.957 1.00 0.00 O ATOM 1503 CB CYS B 43 89.576 -17.679 40.947 1.00 0.00 C ATOM 1504 SG CYS B 43 90.434 -19.235 40.604 1.00 0.00 S ATOM 0 H CYS B 43 87.617 -19.301 40.978 1.00 0.00 H new ATOM 0 HA CYS B 43 89.222 -18.031 43.047 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.006 -17.371 40.071 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.304 -16.892 41.146 1.00 0.00 H new ATOM 0 HG CYS B 43 89.674 -19.998 39.876 1.00 0.00 H new ATOM 1509 N GLN B 44 86.699 -16.452 41.666 1.00 0.00 N ATOM 1510 CA GLN B 44 85.886 -15.205 41.751 1.00 0.00 C ATOM 1511 C GLN B 44 85.258 -15.088 43.141 1.00 0.00 C ATOM 1512 O GLN B 44 85.697 -14.313 43.968 1.00 0.00 O ATOM 1513 CB GLN B 44 84.777 -15.250 40.701 1.00 0.00 C ATOM 1514 CG GLN B 44 84.059 -13.897 40.653 1.00 0.00 C ATOM 1515 CD GLN B 44 83.074 -13.881 39.486 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.901 -14.154 39.654 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.511 -13.568 38.301 1.00 0.00 N ATOM 0 H GLN B 44 86.294 -17.195 41.096 1.00 0.00 H new ATOM 0 HA GLN B 44 86.530 -14.344 41.572 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.198 -15.485 39.723 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.067 -16.041 40.941 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.531 -13.721 41.590 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.785 -13.092 40.540 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.496 -13.340 38.164 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.869 -13.551 37.509 1.00 0.00 H new