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= -2.36 K(o=-4.6,f=-6.2!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.37 K(o=-4.6,f=-5.5!) USER MOD Set 1.3: B 40 CYS SG : rot -136:sc= 1.15 USER MOD Set 1.4: B 43 CYS SG : rot 177:sc= -2.03 USER MOD Set 2.1: A 44 GLN : amide:sc= -11! K(o=-19!,f=-6.5) USER MOD Set 2.2: B 44 GLN : amide:sc= -7.76! C(o=-19!,f=-15!) USER MOD Set 3.1: A 12 HIS : no HE2:sc= -2.43 K(o=-4.6,f=-6.1!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -1.23 K(o=-4.6,f=-5.6!) USER MOD Set 3.3: A 40 CYS SG : rot -139:sc= 1.18 USER MOD Set 3.4: A 43 CYS SG : rot 174:sc= -2.14 USER MOD Single : A 1 PHE N :NH3+ 148:sc= 0.0766 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.0258 (180deg=-0.353) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -78:sc= 0.87 USER MOD Single : A 18 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 22 MET CE :methyl 156:sc= -0.235 (180deg=-1.51!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 142:sc= -0.216 (180deg=-1.04) USER MOD Single : A 39 SER OG : rot 107:sc= 0.816 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 0.0883 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 161:sc= -0.018 (180deg=-0.339) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -79:sc= 0.885 USER MOD Single : B 18 ASN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : B 22 MET CE :methyl 152:sc= -0.243 (180deg=-1.44!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 155:sc= -0.158 (180deg=-1) USER MOD Single : B 39 SER OG : rot 111:sc= 0.894 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.238 -3.761 24.188 1.00 0.00 N ATOM 2 CA PHE A 1 94.166 -4.385 25.539 1.00 0.00 C ATOM 3 C PHE A 1 93.851 -3.310 26.585 1.00 0.00 C ATOM 4 O PHE A 1 92.720 -2.898 26.753 1.00 0.00 O ATOM 5 CB PHE A 1 95.515 -5.026 25.881 1.00 0.00 C ATOM 6 CG PHE A 1 95.697 -6.317 25.114 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.081 -7.492 25.563 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.497 -6.342 23.965 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.264 -8.690 24.862 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.681 -7.541 23.266 1.00 0.00 C ATOM 11 CZ PHE A 1 96.064 -8.715 23.713 1.00 0.00 C ATOM 0 H1 PHE A 1 94.930 -4.274 23.605 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.303 -3.806 23.735 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.531 -2.767 24.280 1.00 0.00 H new ATOM 0 HA PHE A 1 93.384 -5.144 25.540 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.324 -4.336 25.640 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.571 -5.221 26.952 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.465 -7.474 26.450 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.972 -5.436 23.618 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.788 -9.596 25.208 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.300 -7.560 22.381 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.205 -9.639 23.172 1.00 0.00 H new ATOM 23 N LEU A 2 94.853 -2.859 27.292 1.00 0.00 N ATOM 24 CA LEU A 2 94.635 -1.818 28.336 1.00 0.00 C ATOM 25 C LEU A 2 94.115 -0.531 27.689 1.00 0.00 C ATOM 26 O LEU A 2 93.251 0.137 28.220 1.00 0.00 O ATOM 27 CB LEU A 2 95.970 -1.529 29.032 1.00 0.00 C ATOM 28 CG LEU A 2 96.507 -2.810 29.693 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.946 -2.573 30.166 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.634 -3.195 30.900 1.00 0.00 C ATOM 0 H LEU A 2 95.819 -3.170 27.190 1.00 0.00 H new ATOM 0 HA LEU A 2 93.902 -2.175 29.059 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.693 -1.153 28.308 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.837 -0.751 29.783 1.00 0.00 H new ATOM 0 HG LEU A 2 96.483 -3.620 28.964 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.329 -3.479 30.635 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.572 -2.314 29.312 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.962 -1.757 30.888 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.026 -4.103 31.358 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.646 -2.386 31.631 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.610 -3.369 30.568 1.00 0.00 H new ATOM 42 N ASP A 3 94.639 -0.178 26.550 1.00 0.00 N ATOM 43 CA ASP A 3 94.181 1.068 25.870 1.00 0.00 C ATOM 44 C ASP A 3 92.692 0.971 25.538 1.00 0.00 C ATOM 45 O ASP A 3 91.927 1.879 25.792 1.00 0.00 O ATOM 46 CB ASP A 3 94.971 1.254 24.577 1.00 0.00 C ATOM 47 CG ASP A 3 94.506 2.531 23.874 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.327 2.623 23.576 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.337 3.395 23.646 1.00 0.00 O ATOM 0 H ASP A 3 95.366 -0.698 26.058 1.00 0.00 H new ATOM 0 HA ASP A 3 94.344 1.917 26.534 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.037 1.314 24.795 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.827 0.394 23.924 1.00 0.00 H new ATOM 54 N GLY A 4 92.280 -0.123 24.963 1.00 0.00 N ATOM 55 CA GLY A 4 90.843 -0.285 24.604 1.00 0.00 C ATOM 56 C GLY A 4 89.992 -0.249 25.873 1.00 0.00 C ATOM 57 O GLY A 4 88.897 0.278 25.887 1.00 0.00 O ATOM 0 H GLY A 4 92.878 -0.915 24.725 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.535 0.510 23.925 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.693 -1.229 24.079 1.00 0.00 H new ATOM 61 N ILE A 5 90.489 -0.816 26.932 1.00 0.00 N ATOM 62 CA ILE A 5 89.727 -0.838 28.211 1.00 0.00 C ATOM 63 C ILE A 5 89.559 0.578 28.768 1.00 0.00 C ATOM 64 O ILE A 5 88.521 0.923 29.297 1.00 0.00 O ATOM 65 CB ILE A 5 90.473 -1.715 29.218 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.355 -3.179 28.784 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.881 -1.540 30.621 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.329 -4.032 29.591 1.00 0.00 C ATOM 0 H ILE A 5 91.401 -1.271 26.968 1.00 0.00 H new ATOM 0 HA ILE A 5 88.733 -1.247 28.029 1.00 0.00 H new ATOM 0 HB ILE A 5 91.522 -1.419 29.247 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.335 -3.532 28.935 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.570 -3.272 27.720 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.423 -2.171 31.326 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.969 -0.497 30.926 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.830 -1.828 30.611 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.244 -5.073 29.281 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.347 -3.684 29.418 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.093 -3.949 30.652 1.00 0.00 H new ATOM 80 N ASP A 6 90.567 1.395 28.680 1.00 0.00 N ATOM 81 CA ASP A 6 90.446 2.771 29.235 1.00 0.00 C ATOM 82 C ASP A 6 89.307 3.500 28.534 1.00 0.00 C ATOM 83 O ASP A 6 88.444 4.080 29.163 1.00 0.00 O ATOM 84 CB ASP A 6 91.743 3.538 28.984 1.00 0.00 C ATOM 85 CG ASP A 6 91.696 4.879 29.719 1.00 0.00 C ATOM 86 OD1 ASP A 6 91.100 5.802 29.189 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.261 4.961 30.797 1.00 0.00 O ATOM 0 H ASP A 6 91.465 1.173 28.251 1.00 0.00 H new ATOM 0 HA ASP A 6 90.250 2.711 30.306 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.596 2.953 29.328 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.879 3.702 27.915 1.00 0.00 H new ATOM 92 N LYS A 7 89.294 3.475 27.235 1.00 0.00 N ATOM 93 CA LYS A 7 88.207 4.166 26.495 1.00 0.00 C ATOM 94 C LYS A 7 86.885 3.439 26.754 1.00 0.00 C ATOM 95 O LYS A 7 85.848 4.048 26.928 1.00 0.00 O ATOM 96 CB LYS A 7 88.522 4.136 25.002 1.00 0.00 C ATOM 97 CG LYS A 7 87.549 5.050 24.264 1.00 0.00 C ATOM 98 CD LYS A 7 87.859 5.024 22.766 1.00 0.00 C ATOM 99 CE LYS A 7 86.910 5.972 22.031 1.00 0.00 C ATOM 100 NZ LYS A 7 87.234 7.380 22.393 1.00 0.00 N ATOM 0 H LYS A 7 89.988 3.006 26.653 1.00 0.00 H new ATOM 0 HA LYS A 7 88.127 5.200 26.830 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.548 4.461 24.828 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.442 3.118 24.622 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.524 4.724 24.439 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.630 6.068 24.645 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.893 5.322 22.593 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.750 4.011 22.379 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.002 5.832 20.954 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.877 5.746 22.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.818 8.024 21.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.844 7.595 23.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.266 7.505 22.410 1.00 0.00 H new ATOM 114 N ALA A 8 86.922 2.135 26.783 1.00 0.00 N ATOM 115 CA ALA A 8 85.681 1.345 27.033 1.00 0.00 C ATOM 116 C ALA A 8 85.233 1.526 28.485 1.00 0.00 C ATOM 117 O ALA A 8 84.057 1.522 28.789 1.00 0.00 O ATOM 118 CB ALA A 8 85.960 -0.137 26.767 1.00 0.00 C ATOM 0 H ALA A 8 87.765 1.578 26.643 1.00 0.00 H new ATOM 0 HA ALA A 8 84.892 1.695 26.368 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.055 -0.716 26.949 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.272 -0.268 25.731 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.752 -0.483 27.431 1.00 0.00 H new ATOM 124 N GLN A 9 86.167 1.664 29.385 1.00 0.00 N ATOM 125 CA GLN A 9 85.806 1.822 30.823 1.00 0.00 C ATOM 126 C GLN A 9 84.960 3.084 31.006 1.00 0.00 C ATOM 127 O GLN A 9 85.223 4.115 30.418 1.00 0.00 O ATOM 128 CB GLN A 9 87.094 1.932 31.646 1.00 0.00 C ATOM 129 CG GLN A 9 86.756 2.095 33.130 1.00 0.00 C ATOM 130 CD GLN A 9 88.050 2.172 33.941 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.122 1.924 33.424 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.996 2.517 35.199 1.00 0.00 N ATOM 0 H GLN A 9 87.167 1.674 29.187 1.00 0.00 H new ATOM 0 HA GLN A 9 85.229 0.960 31.158 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.706 1.042 31.500 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.683 2.783 31.303 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.164 2.998 33.282 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.150 1.255 33.470 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.097 2.725 35.633 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.853 2.579 35.748 1.00 0.00 H new ATOM 141 N GLU A 10 83.938 3.000 31.816 1.00 0.00 N ATOM 142 CA GLU A 10 83.060 4.182 32.042 1.00 0.00 C ATOM 143 C GLU A 10 82.098 3.884 33.199 1.00 0.00 C ATOM 144 O GLU A 10 81.941 2.751 33.609 1.00 0.00 O ATOM 145 CB GLU A 10 82.268 4.470 30.764 1.00 0.00 C ATOM 146 CG GLU A 10 81.518 5.797 30.905 1.00 0.00 C ATOM 147 CD GLU A 10 81.011 6.248 29.533 1.00 0.00 C ATOM 148 OE1 GLU A 10 81.434 5.669 28.546 1.00 0.00 O ATOM 149 OE2 GLU A 10 80.210 7.167 29.492 1.00 0.00 O ATOM 0 H GLU A 10 83.674 2.161 32.332 1.00 0.00 H new ATOM 0 HA GLU A 10 83.665 5.053 32.295 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.943 4.513 29.909 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.562 3.662 30.573 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.681 5.682 31.594 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.177 6.556 31.328 1.00 0.00 H new ATOM 156 N GLU A 11 81.461 4.895 33.731 1.00 0.00 N ATOM 157 CA GLU A 11 80.514 4.681 34.869 1.00 0.00 C ATOM 158 C GLU A 11 79.628 3.461 34.592 1.00 0.00 C ATOM 159 O GLU A 11 79.577 2.960 33.487 1.00 0.00 O ATOM 160 CB GLU A 11 79.631 5.921 35.034 1.00 0.00 C ATOM 161 CG GLU A 11 80.477 7.092 35.542 1.00 0.00 C ATOM 162 CD GLU A 11 80.919 6.821 36.981 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.082 6.415 37.772 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.087 7.024 37.270 1.00 0.00 O ATOM 0 H GLU A 11 81.556 5.864 33.426 1.00 0.00 H new ATOM 0 HA GLU A 11 81.085 4.509 35.782 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.169 6.180 34.081 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.822 5.713 35.735 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.349 7.228 34.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.901 8.016 35.496 1.00 0.00 H new ATOM 171 N HIS A 12 78.937 2.975 35.589 1.00 0.00 N ATOM 172 CA HIS A 12 78.066 1.782 35.377 1.00 0.00 C ATOM 173 C HIS A 12 76.877 2.161 34.497 1.00 0.00 C ATOM 174 O HIS A 12 75.770 2.336 34.963 1.00 0.00 O ATOM 175 CB HIS A 12 77.556 1.271 36.726 1.00 0.00 C ATOM 176 CG HIS A 12 76.578 0.146 36.506 1.00 0.00 C ATOM 177 ND1 HIS A 12 76.985 -1.153 36.224 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.207 0.107 36.551 1.00 0.00 C ATOM 179 CE1 HIS A 12 75.874 -1.913 36.122 1.00 0.00 C ATOM 180 NE2 HIS A 12 74.769 -1.190 36.313 1.00 0.00 N ATOM 0 H HIS A 12 78.938 3.351 36.537 1.00 0.00 H new ATOM 0 HA HIS A 12 78.645 1.000 34.886 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.392 0.925 37.334 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.076 2.081 37.275 1.00 0.00 H new ATOM 0 HD1 HIS A 12 77.947 -1.473 36.114 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.566 0.955 36.742 1.00 0.00 H new ATOM 0 HE1 HIS A 12 75.879 -2.972 35.912 1.00 0.00 H new ATOM 188 N GLU A 13 77.106 2.273 33.221 1.00 0.00 N ATOM 189 CA GLU A 13 76.006 2.622 32.283 1.00 0.00 C ATOM 190 C GLU A 13 75.182 1.370 31.984 1.00 0.00 C ATOM 191 O GLU A 13 75.555 0.270 32.340 1.00 0.00 O ATOM 192 CB GLU A 13 76.597 3.156 30.982 1.00 0.00 C ATOM 193 CG GLU A 13 77.223 4.531 31.223 1.00 0.00 C ATOM 194 CD GLU A 13 77.828 5.049 29.918 1.00 0.00 C ATOM 195 OE1 GLU A 13 78.152 4.231 29.073 1.00 0.00 O ATOM 196 OE2 GLU A 13 77.956 6.255 29.785 1.00 0.00 O ATOM 0 H GLU A 13 78.017 2.136 32.783 1.00 0.00 H new ATOM 0 HA GLU A 13 75.370 3.383 32.735 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.350 2.465 30.603 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.820 3.228 30.221 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.468 5.227 31.589 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.993 4.463 31.992 1.00 0.00 H new ATOM 203 N LYS A 14 74.069 1.523 31.321 1.00 0.00 N ATOM 204 CA LYS A 14 73.235 0.335 30.991 1.00 0.00 C ATOM 205 C LYS A 14 74.017 -0.546 30.017 1.00 0.00 C ATOM 206 O LYS A 14 73.838 -1.746 29.965 1.00 0.00 O ATOM 207 CB LYS A 14 71.929 0.777 30.328 1.00 0.00 C ATOM 208 CG LYS A 14 71.040 1.481 31.354 1.00 0.00 C ATOM 209 CD LYS A 14 69.740 1.918 30.677 1.00 0.00 C ATOM 210 CE LYS A 14 68.851 2.641 31.688 1.00 0.00 C ATOM 211 NZ LYS A 14 67.554 2.991 31.045 1.00 0.00 N ATOM 0 H LYS A 14 73.702 2.417 30.995 1.00 0.00 H new ATOM 0 HA LYS A 14 73.001 -0.214 31.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.142 1.448 29.496 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.409 -0.088 29.915 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.823 0.811 32.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.557 2.346 31.768 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.960 2.575 29.836 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.218 1.050 30.275 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.679 2.006 32.557 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.347 3.543 32.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.948 3.483 31.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.727 3.612 30.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.080 2.123 30.725 1.00 0.00 H new ATOM 225 N TYR A 15 74.888 0.047 29.247 1.00 0.00 N ATOM 226 CA TYR A 15 75.689 -0.743 28.274 1.00 0.00 C ATOM 227 C TYR A 15 76.473 -1.820 29.030 1.00 0.00 C ATOM 228 O TYR A 15 76.793 -2.859 28.486 1.00 0.00 O ATOM 229 CB TYR A 15 76.656 0.185 27.531 1.00 0.00 C ATOM 230 CG TYR A 15 75.883 1.018 26.534 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.654 0.530 25.241 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.392 2.277 26.904 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.936 1.301 24.319 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.674 3.047 25.981 1.00 0.00 C ATOM 235 CZ TYR A 15 74.446 2.560 24.688 1.00 0.00 C ATOM 236 OH TYR A 15 73.737 3.319 23.779 1.00 0.00 O ATOM 0 H TYR A 15 75.079 1.049 29.251 1.00 0.00 H new ATOM 0 HA TYR A 15 75.028 -1.217 27.549 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.173 0.832 28.239 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.419 -0.401 27.019 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.031 -0.441 24.955 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.567 2.653 27.901 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.760 0.924 23.322 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.296 4.017 26.267 1.00 0.00 H new ATOM 0 HH TYR A 15 73.469 4.164 24.197 1.00 0.00 H new ATOM 246 N HIS A 16 76.775 -1.594 30.284 1.00 0.00 N ATOM 247 CA HIS A 16 77.521 -2.629 31.055 1.00 0.00 C ATOM 248 C HIS A 16 76.692 -3.915 31.077 1.00 0.00 C ATOM 249 O HIS A 16 77.215 -5.005 30.947 1.00 0.00 O ATOM 250 CB HIS A 16 77.737 -2.154 32.502 1.00 0.00 C ATOM 251 CG HIS A 16 78.919 -1.227 32.585 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.553 -0.946 33.794 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.606 -0.527 31.627 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.577 -0.112 33.526 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.649 0.174 32.223 1.00 0.00 N ATOM 0 H HIS A 16 76.539 -0.747 30.801 1.00 0.00 H new ATOM 0 HA HIS A 16 78.489 -2.804 30.585 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.843 -1.644 32.860 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.896 -3.014 33.153 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.373 -0.521 30.572 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.255 0.277 34.272 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.327 0.780 31.762 1.00 0.00 H new ATOM 263 N SER A 17 75.402 -3.798 31.234 1.00 0.00 N ATOM 264 CA SER A 17 74.550 -5.016 31.254 1.00 0.00 C ATOM 265 C SER A 17 74.651 -5.706 29.896 1.00 0.00 C ATOM 266 O SER A 17 74.784 -6.910 29.804 1.00 0.00 O ATOM 267 CB SER A 17 73.099 -4.615 31.525 1.00 0.00 C ATOM 268 OG SER A 17 72.645 -3.768 30.478 1.00 0.00 O ATOM 0 H SER A 17 74.905 -2.915 31.349 1.00 0.00 H new ATOM 0 HA SER A 17 74.884 -5.696 32.038 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.470 -5.503 31.589 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.024 -4.101 32.483 1.00 0.00 H new ATOM 0 HG SER A 17 72.992 -2.862 30.616 1.00 0.00 H new ATOM 274 N ASN A 18 74.610 -4.942 28.834 1.00 0.00 N ATOM 275 CA ASN A 18 74.728 -5.536 27.470 1.00 0.00 C ATOM 276 C ASN A 18 76.186 -5.455 27.020 1.00 0.00 C ATOM 277 O ASN A 18 76.578 -4.542 26.321 1.00 0.00 O ATOM 278 CB ASN A 18 73.855 -4.745 26.493 1.00 0.00 C ATOM 279 CG ASN A 18 72.391 -4.829 26.927 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.702 -3.830 26.975 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.885 -5.988 27.248 1.00 0.00 N ATOM 0 H ASN A 18 74.499 -3.928 28.854 1.00 0.00 H new ATOM 0 HA ASN A 18 74.401 -6.576 27.490 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.177 -3.704 26.464 1.00 0.00 H new ATOM 0 HB3 ASN A 18 73.969 -5.142 25.484 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.910 -6.056 27.540 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.465 -6.826 27.207 1.00 0.00 H new ATOM 288 N TRP A 19 76.996 -6.396 27.412 1.00 0.00 N ATOM 289 CA TRP A 19 78.424 -6.354 26.999 1.00 0.00 C ATOM 290 C TRP A 19 78.537 -6.642 25.502 1.00 0.00 C ATOM 291 O TRP A 19 79.469 -6.214 24.850 1.00 0.00 O ATOM 292 CB TRP A 19 79.236 -7.377 27.797 1.00 0.00 C ATOM 293 CG TRP A 19 78.782 -8.763 27.482 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.907 -9.480 28.223 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.167 -9.613 26.366 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.739 -10.722 27.638 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.494 -10.851 26.489 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.029 -9.433 25.270 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.672 -11.874 25.560 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.208 -10.459 24.330 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.532 -11.679 24.476 1.00 0.00 C ATOM 0 H TRP A 19 76.733 -7.189 27.998 1.00 0.00 H new ATOM 0 HA TRP A 19 78.824 -5.360 27.201 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.295 -7.273 27.562 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.126 -7.185 28.864 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.419 -9.139 29.124 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.132 -11.453 28.010 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.557 -8.498 25.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.149 -12.812 25.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.870 -10.309 23.490 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.676 -12.467 23.751 1.00 0.00 H new ATOM 312 N ARG A 20 77.604 -7.370 24.945 1.00 0.00 N ATOM 313 CA ARG A 20 77.685 -7.680 23.490 1.00 0.00 C ATOM 314 C ARG A 20 77.672 -6.379 22.685 1.00 0.00 C ATOM 315 O ARG A 20 78.398 -6.229 21.723 1.00 0.00 O ATOM 316 CB ARG A 20 76.483 -8.530 23.069 1.00 0.00 C ATOM 317 CG ARG A 20 76.597 -9.935 23.662 1.00 0.00 C ATOM 318 CD ARG A 20 75.383 -10.759 23.221 1.00 0.00 C ATOM 319 NE ARG A 20 75.383 -12.093 23.908 1.00 0.00 N ATOM 320 CZ ARG A 20 76.386 -12.923 23.798 1.00 0.00 C ATOM 321 NH1 ARG A 20 77.348 -12.697 22.947 1.00 0.00 N ATOM 322 NH2 ARG A 20 76.401 -14.015 24.514 1.00 0.00 N ATOM 0 H ARG A 20 76.797 -7.760 25.431 1.00 0.00 H new ATOM 0 HA ARG A 20 78.608 -8.228 23.299 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.559 -8.059 23.406 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.433 -8.589 21.982 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.518 -10.412 23.327 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.642 -9.883 24.750 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.465 -10.221 23.456 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.403 -10.899 22.140 1.00 0.00 H new ATOM 0 HE ARG A 20 74.579 -12.359 24.476 1.00 0.00 H new ATOM 0 HH11 ARG A 20 77.323 -11.865 22.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 78.126 -13.353 22.870 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.633 -14.216 25.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 77.181 -14.667 24.433 1.00 0.00 H new ATOM 336 N ALA A 21 76.861 -5.434 23.071 1.00 0.00 N ATOM 337 CA ALA A 21 76.820 -4.147 22.321 1.00 0.00 C ATOM 338 C ALA A 21 78.202 -3.497 22.359 1.00 0.00 C ATOM 339 O ALA A 21 78.734 -3.079 21.348 1.00 0.00 O ATOM 340 CB ALA A 21 75.796 -3.205 22.960 1.00 0.00 C ATOM 0 H ALA A 21 76.228 -5.496 23.869 1.00 0.00 H new ATOM 0 HA ALA A 21 76.532 -4.340 21.288 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.771 -2.266 22.407 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.810 -3.668 22.934 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.078 -3.009 23.995 1.00 0.00 H new ATOM 346 N MET A 22 78.786 -3.404 23.522 1.00 0.00 N ATOM 347 CA MET A 22 80.131 -2.775 23.633 1.00 0.00 C ATOM 348 C MET A 22 81.150 -3.587 22.833 1.00 0.00 C ATOM 349 O MET A 22 81.989 -3.039 22.145 1.00 0.00 O ATOM 350 CB MET A 22 80.541 -2.728 25.107 1.00 0.00 C ATOM 351 CG MET A 22 81.922 -2.082 25.239 1.00 0.00 C ATOM 352 SD MET A 22 82.335 -1.892 26.991 1.00 0.00 S ATOM 353 CE MET A 22 82.327 -3.648 27.425 1.00 0.00 C ATOM 0 H MET A 22 78.389 -3.737 24.401 1.00 0.00 H new ATOM 0 HA MET A 22 80.097 -1.762 23.232 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.808 -2.161 25.680 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.559 -3.736 25.521 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.672 -2.698 24.742 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.929 -1.110 24.745 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.949 -3.808 28.306 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.306 -3.965 27.639 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.721 -4.230 26.592 1.00 0.00 H new ATOM 363 N ALA A 23 81.087 -4.888 22.910 1.00 0.00 N ATOM 364 CA ALA A 23 82.057 -5.722 22.142 1.00 0.00 C ATOM 365 C ALA A 23 81.841 -5.490 20.647 1.00 0.00 C ATOM 366 O ALA A 23 82.779 -5.373 19.884 1.00 0.00 O ATOM 367 CB ALA A 23 81.831 -7.201 22.470 1.00 0.00 C ATOM 0 H ALA A 23 80.410 -5.408 23.468 1.00 0.00 H new ATOM 0 HA ALA A 23 83.076 -5.445 22.413 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.539 -7.810 21.909 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.978 -7.364 23.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.814 -7.483 22.197 1.00 0.00 H new ATOM 373 N SER A 24 80.610 -5.424 20.226 1.00 0.00 N ATOM 374 CA SER A 24 80.327 -5.200 18.782 1.00 0.00 C ATOM 375 C SER A 24 80.734 -3.778 18.396 1.00 0.00 C ATOM 376 O SER A 24 81.266 -3.539 17.331 1.00 0.00 O ATOM 377 CB SER A 24 78.831 -5.390 18.526 1.00 0.00 C ATOM 378 OG SER A 24 78.573 -5.267 17.133 1.00 0.00 O ATOM 0 H SER A 24 79.786 -5.516 20.820 1.00 0.00 H new ATOM 0 HA SER A 24 80.894 -5.913 18.184 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.511 -6.369 18.882 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.258 -4.647 19.081 1.00 0.00 H new ATOM 0 HG SER A 24 77.615 -5.390 16.966 1.00 0.00 H new ATOM 384 N ASP A 25 80.471 -2.831 19.253 1.00 0.00 N ATOM 385 CA ASP A 25 80.824 -1.416 18.939 1.00 0.00 C ATOM 386 C ASP A 25 82.334 -1.283 18.721 1.00 0.00 C ATOM 387 O ASP A 25 82.779 -0.585 17.831 1.00 0.00 O ATOM 388 CB ASP A 25 80.402 -0.521 20.105 1.00 0.00 C ATOM 389 CG ASP A 25 80.759 0.931 19.788 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.882 1.319 20.066 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.905 1.630 19.269 1.00 0.00 O ATOM 0 H ASP A 25 80.026 -2.975 20.159 1.00 0.00 H new ATOM 0 HA ASP A 25 80.305 -1.113 18.029 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.330 -0.613 20.279 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.902 -0.838 21.020 1.00 0.00 H new ATOM 396 N PHE A 26 83.124 -1.939 19.530 1.00 0.00 N ATOM 397 CA PHE A 26 84.612 -1.845 19.383 1.00 0.00 C ATOM 398 C PHE A 26 85.137 -3.077 18.648 1.00 0.00 C ATOM 399 O PHE A 26 86.326 -3.237 18.457 1.00 0.00 O ATOM 400 CB PHE A 26 85.253 -1.755 20.770 1.00 0.00 C ATOM 401 CG PHE A 26 84.949 -0.400 21.361 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.731 0.706 21.005 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.885 -0.244 22.257 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.450 1.967 21.545 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.603 1.017 22.796 1.00 0.00 C ATOM 406 CZ PHE A 26 84.385 2.122 22.439 1.00 0.00 C ATOM 0 H PHE A 26 82.804 -2.539 20.290 1.00 0.00 H new ATOM 0 HA PHE A 26 84.866 -0.954 18.808 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.867 -2.543 21.416 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.331 -1.902 20.698 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.552 0.586 20.313 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.282 -1.096 22.533 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.055 2.819 21.272 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.782 1.137 23.487 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.166 3.095 22.854 1.00 0.00 H new ATOM 416 N ASN A 27 84.255 -3.938 18.221 1.00 0.00 N ATOM 417 CA ASN A 27 84.690 -5.154 17.478 1.00 0.00 C ATOM 418 C ASN A 27 85.719 -5.936 18.297 1.00 0.00 C ATOM 419 O ASN A 27 86.676 -6.458 17.761 1.00 0.00 O ATOM 420 CB ASN A 27 85.309 -4.741 16.139 1.00 0.00 C ATOM 421 CG ASN A 27 84.276 -3.960 15.326 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.475 -2.799 15.026 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.174 -4.550 14.956 1.00 0.00 N ATOM 0 H ASN A 27 83.248 -3.851 18.355 1.00 0.00 H new ATOM 0 HA ASN A 27 83.822 -5.790 17.301 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.195 -4.129 16.308 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.632 -5.623 15.587 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.478 -4.037 14.414 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.008 -5.524 15.208 1.00 0.00 H new ATOM 430 N LEU A 28 85.525 -6.031 19.590 1.00 0.00 N ATOM 431 CA LEU A 28 86.485 -6.794 20.451 1.00 0.00 C ATOM 432 C LEU A 28 85.793 -8.075 20.932 1.00 0.00 C ATOM 433 O LEU A 28 84.590 -8.095 21.105 1.00 0.00 O ATOM 434 CB LEU A 28 86.858 -5.945 21.673 1.00 0.00 C ATOM 435 CG LEU A 28 87.672 -4.715 21.244 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.687 -3.698 22.390 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.119 -5.116 20.903 1.00 0.00 C ATOM 0 H LEU A 28 84.740 -5.612 20.089 1.00 0.00 H new ATOM 0 HA LEU A 28 87.384 -7.035 19.884 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.954 -5.627 22.192 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.436 -6.544 22.377 1.00 0.00 H new ATOM 0 HG LEU A 28 87.211 -4.278 20.358 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.263 -2.822 22.092 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.665 -3.398 22.623 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.143 -4.149 23.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.680 -4.232 20.601 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.589 -5.562 21.779 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.114 -5.838 20.087 1.00 0.00 H new ATOM 449 N PRO A 29 86.531 -9.134 21.163 1.00 0.00 N ATOM 450 CA PRO A 29 85.941 -10.413 21.648 1.00 0.00 C ATOM 451 C PRO A 29 85.440 -10.272 23.092 1.00 0.00 C ATOM 452 O PRO A 29 85.834 -9.367 23.801 1.00 0.00 O ATOM 453 CB PRO A 29 87.100 -11.418 21.551 1.00 0.00 C ATOM 454 CG PRO A 29 88.341 -10.585 21.632 1.00 0.00 C ATOM 455 CD PRO A 29 87.992 -9.239 20.989 1.00 0.00 C ATOM 0 HA PRO A 29 85.074 -10.725 21.067 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.060 -12.147 22.361 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.060 -11.978 20.616 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.655 -10.453 22.667 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.167 -11.065 21.108 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.513 -8.415 21.477 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.272 -9.214 19.936 1.00 0.00 H new ATOM 463 N PRO A 30 84.570 -11.146 23.518 1.00 0.00 N ATOM 464 CA PRO A 30 83.998 -11.102 24.895 1.00 0.00 C ATOM 465 C PRO A 30 85.093 -11.088 25.968 1.00 0.00 C ATOM 466 O PRO A 30 84.862 -10.721 27.100 1.00 0.00 O ATOM 467 CB PRO A 30 83.145 -12.390 24.988 1.00 0.00 C ATOM 468 CG PRO A 30 83.592 -13.246 23.841 1.00 0.00 C ATOM 469 CD PRO A 30 84.041 -12.280 22.750 1.00 0.00 C ATOM 0 HA PRO A 30 83.417 -10.196 25.068 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.301 -12.897 25.941 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.081 -12.163 24.918 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.408 -13.905 24.140 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.780 -13.883 23.489 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.801 -12.722 22.106 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.213 -11.982 22.107 1.00 0.00 H new ATOM 477 N VAL A 31 86.278 -11.501 25.628 1.00 0.00 N ATOM 478 CA VAL A 31 87.365 -11.528 26.641 1.00 0.00 C ATOM 479 C VAL A 31 87.607 -10.123 27.188 1.00 0.00 C ATOM 480 O VAL A 31 87.616 -9.908 28.384 1.00 0.00 O ATOM 481 CB VAL A 31 88.645 -12.039 25.981 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.796 -12.018 26.989 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.421 -13.467 25.480 1.00 0.00 C ATOM 0 H VAL A 31 86.541 -11.820 24.696 1.00 0.00 H new ATOM 0 HA VAL A 31 87.077 -12.184 27.462 1.00 0.00 H new ATOM 0 HB VAL A 31 88.900 -11.394 25.140 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.705 -12.384 26.511 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.955 -10.998 27.339 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.549 -12.658 27.836 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.333 -13.834 25.009 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.162 -14.111 26.320 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.608 -13.474 24.754 1.00 0.00 H new ATOM 493 N VAL A 32 87.798 -9.165 26.332 1.00 0.00 N ATOM 494 CA VAL A 32 88.032 -7.783 26.824 1.00 0.00 C ATOM 495 C VAL A 32 86.741 -7.255 27.448 1.00 0.00 C ATOM 496 O VAL A 32 86.746 -6.651 28.502 1.00 0.00 O ATOM 497 CB VAL A 32 88.453 -6.890 25.655 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.477 -5.426 26.101 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.849 -7.303 25.181 1.00 0.00 C ATOM 0 H VAL A 32 87.803 -9.277 25.318 1.00 0.00 H new ATOM 0 HA VAL A 32 88.824 -7.782 27.572 1.00 0.00 H new ATOM 0 HB VAL A 32 87.739 -7.003 24.839 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.778 -4.796 25.264 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.483 -5.132 26.438 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.188 -5.306 26.919 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.153 -6.669 24.348 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.559 -7.191 26.000 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.830 -8.344 24.857 1.00 0.00 H new ATOM 509 N ALA A 33 85.632 -7.485 26.803 1.00 0.00 N ATOM 510 CA ALA A 33 84.338 -7.004 27.353 1.00 0.00 C ATOM 511 C ALA A 33 84.038 -7.718 28.674 1.00 0.00 C ATOM 512 O ALA A 33 83.602 -7.108 29.631 1.00 0.00 O ATOM 513 CB ALA A 33 83.219 -7.287 26.346 1.00 0.00 C ATOM 0 H ALA A 33 85.567 -7.986 25.917 1.00 0.00 H new ATOM 0 HA ALA A 33 84.399 -5.931 27.534 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.269 -6.934 26.749 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.431 -6.769 25.411 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.159 -8.359 26.161 1.00 0.00 H new ATOM 519 N LYS A 34 84.267 -9.005 28.743 1.00 0.00 N ATOM 520 CA LYS A 34 83.991 -9.736 30.013 1.00 0.00 C ATOM 521 C LYS A 34 84.902 -9.215 31.128 1.00 0.00 C ATOM 522 O LYS A 34 84.486 -9.070 32.260 1.00 0.00 O ATOM 523 CB LYS A 34 84.229 -11.238 29.810 1.00 0.00 C ATOM 524 CG LYS A 34 83.125 -11.847 28.922 1.00 0.00 C ATOM 525 CD LYS A 34 81.885 -12.183 29.762 1.00 0.00 C ATOM 526 CE LYS A 34 80.866 -12.924 28.892 1.00 0.00 C ATOM 527 NZ LYS A 34 81.498 -14.142 28.310 1.00 0.00 N ATOM 0 H LYS A 34 84.630 -9.576 27.980 1.00 0.00 H new ATOM 0 HA LYS A 34 82.952 -9.571 30.297 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.204 -11.398 29.349 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.246 -11.743 30.776 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.857 -11.146 28.132 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.497 -12.748 28.435 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.167 -12.799 30.616 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.443 -11.269 30.160 1.00 0.00 H new ATOM 0 HE2 LYS A 34 79.997 -13.202 29.489 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.509 -12.271 28.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.807 -14.919 28.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.812 -13.940 27.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.317 -14.418 28.888 1.00 0.00 H new ATOM 541 N GLU A 35 86.143 -8.942 30.828 1.00 0.00 N ATOM 542 CA GLU A 35 87.068 -8.444 31.888 1.00 0.00 C ATOM 543 C GLU A 35 86.548 -7.122 32.457 1.00 0.00 C ATOM 544 O GLU A 35 86.585 -6.896 33.651 1.00 0.00 O ATOM 545 CB GLU A 35 88.464 -8.228 31.294 1.00 0.00 C ATOM 546 CG GLU A 35 89.458 -7.880 32.410 1.00 0.00 C ATOM 547 CD GLU A 35 89.306 -6.408 32.803 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.546 -5.562 31.957 1.00 0.00 O ATOM 549 OE2 GLU A 35 88.950 -6.151 33.941 1.00 0.00 O ATOM 0 H GLU A 35 86.555 -9.041 29.900 1.00 0.00 H new ATOM 0 HA GLU A 35 87.122 -9.183 32.687 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.790 -9.128 30.772 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.435 -7.425 30.557 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.282 -8.517 33.277 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.477 -8.072 32.074 1.00 0.00 H new ATOM 556 N ILE A 36 86.067 -6.242 31.621 1.00 0.00 N ATOM 557 CA ILE A 36 85.552 -4.942 32.135 1.00 0.00 C ATOM 558 C ILE A 36 84.338 -5.209 33.024 1.00 0.00 C ATOM 559 O ILE A 36 84.165 -4.603 34.063 1.00 0.00 O ATOM 560 CB ILE A 36 85.154 -4.052 30.954 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.400 -3.736 30.119 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.546 -2.749 31.474 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.979 -3.169 28.762 1.00 0.00 C ATOM 0 H ILE A 36 86.009 -6.366 30.610 1.00 0.00 H new ATOM 0 HA ILE A 36 86.322 -4.435 32.716 1.00 0.00 H new ATOM 0 HB ILE A 36 84.420 -4.571 30.338 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.030 -3.018 30.645 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.994 -4.639 29.979 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.264 -2.118 30.632 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.662 -2.973 32.072 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.278 -2.226 32.090 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.866 -2.945 28.170 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.367 -3.901 28.236 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.403 -2.256 28.912 1.00 0.00 H new ATOM 575 N VAL A 37 83.507 -6.128 32.624 1.00 0.00 N ATOM 576 CA VAL A 37 82.304 -6.469 33.433 1.00 0.00 C ATOM 577 C VAL A 37 82.753 -7.122 34.746 1.00 0.00 C ATOM 578 O VAL A 37 82.194 -6.884 35.798 1.00 0.00 O ATOM 579 CB VAL A 37 81.439 -7.455 32.640 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.330 -8.019 33.530 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.814 -6.736 31.444 1.00 0.00 C ATOM 0 H VAL A 37 83.610 -6.664 31.762 1.00 0.00 H new ATOM 0 HA VAL A 37 81.730 -5.569 33.652 1.00 0.00 H new ATOM 0 HB VAL A 37 82.066 -8.275 32.291 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.722 -8.718 32.955 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.774 -8.538 34.380 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.702 -7.204 33.890 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.199 -7.436 30.879 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.194 -5.912 31.798 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.603 -6.346 30.801 1.00 0.00 H new ATOM 591 N ALA A 38 83.749 -7.958 34.675 1.00 0.00 N ATOM 592 CA ALA A 38 84.246 -8.662 35.891 1.00 0.00 C ATOM 593 C ALA A 38 84.813 -7.660 36.900 1.00 0.00 C ATOM 594 O ALA A 38 84.686 -7.836 38.094 1.00 0.00 O ATOM 595 CB ALA A 38 85.349 -9.643 35.489 1.00 0.00 C ATOM 0 H ALA A 38 84.247 -8.187 33.815 1.00 0.00 H new ATOM 0 HA ALA A 38 83.414 -9.195 36.351 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.716 -10.161 36.375 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.949 -10.371 34.783 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.169 -9.097 35.022 1.00 0.00 H new ATOM 601 N SER A 39 85.455 -6.623 36.439 1.00 0.00 N ATOM 602 CA SER A 39 86.040 -5.640 37.396 1.00 0.00 C ATOM 603 C SER A 39 84.923 -4.844 38.067 1.00 0.00 C ATOM 604 O SER A 39 85.016 -4.487 39.225 1.00 0.00 O ATOM 605 CB SER A 39 86.971 -4.685 36.650 1.00 0.00 C ATOM 606 OG SER A 39 88.029 -5.427 36.056 1.00 0.00 O ATOM 0 H SER A 39 85.600 -6.414 35.451 1.00 0.00 H new ATOM 0 HA SER A 39 86.607 -6.177 38.157 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.417 -4.143 35.884 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.374 -3.941 37.337 1.00 0.00 H new ATOM 0 HG SER A 39 87.889 -5.479 35.088 1.00 0.00 H new ATOM 612 N CYS A 40 83.862 -4.568 37.364 1.00 0.00 N ATOM 613 CA CYS A 40 82.748 -3.806 37.991 1.00 0.00 C ATOM 614 C CYS A 40 81.995 -4.743 38.942 1.00 0.00 C ATOM 615 O CYS A 40 81.248 -5.606 38.524 1.00 0.00 O ATOM 616 CB CYS A 40 81.809 -3.283 36.900 1.00 0.00 C ATOM 617 SG CYS A 40 80.513 -2.261 37.643 1.00 0.00 S ATOM 0 H CYS A 40 83.718 -4.834 36.390 1.00 0.00 H new ATOM 0 HA CYS A 40 83.136 -2.954 38.550 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.372 -2.699 36.172 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.362 -4.118 36.361 1.00 0.00 H new ATOM 0 HG CYS A 40 79.376 -2.514 37.065 1.00 0.00 H new ATOM 622 N ASP A 41 82.208 -4.584 40.220 1.00 0.00 N ATOM 623 CA ASP A 41 81.537 -5.463 41.225 1.00 0.00 C ATOM 624 C ASP A 41 80.019 -5.336 41.113 1.00 0.00 C ATOM 625 O ASP A 41 79.294 -6.302 41.250 1.00 0.00 O ATOM 626 CB ASP A 41 81.984 -5.060 42.632 1.00 0.00 C ATOM 627 CG ASP A 41 83.436 -5.490 42.849 1.00 0.00 C ATOM 628 OD1 ASP A 41 83.764 -6.605 42.478 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.195 -4.697 43.381 1.00 0.00 O ATOM 0 H ASP A 41 82.825 -3.875 40.617 1.00 0.00 H new ATOM 0 HA ASP A 41 81.817 -6.499 41.033 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.890 -3.982 42.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.340 -5.527 43.377 1.00 0.00 H new ATOM 634 N LYS A 42 79.529 -4.153 40.886 1.00 0.00 N ATOM 635 CA LYS A 42 78.055 -3.963 40.789 1.00 0.00 C ATOM 636 C LYS A 42 77.506 -4.819 39.645 1.00 0.00 C ATOM 637 O LYS A 42 76.436 -5.386 39.744 1.00 0.00 O ATOM 638 CB LYS A 42 77.749 -2.486 40.506 1.00 0.00 C ATOM 639 CG LYS A 42 78.150 -1.612 41.711 1.00 0.00 C ATOM 640 CD LYS A 42 77.023 -1.585 42.767 1.00 0.00 C ATOM 641 CE LYS A 42 76.022 -0.468 42.445 1.00 0.00 C ATOM 642 NZ LYS A 42 75.010 -0.380 43.535 1.00 0.00 N ATOM 0 H LYS A 42 80.085 -3.307 40.763 1.00 0.00 H new ATOM 0 HA LYS A 42 77.588 -4.261 41.727 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.289 -2.160 39.617 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.686 -2.362 40.297 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.065 -2.000 42.159 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.364 -0.597 41.375 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.511 -2.547 42.788 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.447 -1.428 43.759 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.543 0.483 42.340 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.531 -0.669 41.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.331 0.377 43.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 74.505 -1.286 43.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 75.487 -0.170 44.435 1.00 0.00 H new ATOM 656 N CYS A 43 78.219 -4.914 38.555 1.00 0.00 N ATOM 657 CA CYS A 43 77.718 -5.729 37.413 1.00 0.00 C ATOM 658 C CYS A 43 77.792 -7.222 37.755 1.00 0.00 C ATOM 659 O CYS A 43 76.840 -7.957 37.582 1.00 0.00 O ATOM 660 CB CYS A 43 78.591 -5.479 36.186 1.00 0.00 C ATOM 661 SG CYS A 43 78.382 -3.779 35.620 1.00 0.00 S ATOM 0 H CYS A 43 79.123 -4.464 38.407 1.00 0.00 H new ATOM 0 HA CYS A 43 76.685 -5.445 37.212 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.637 -5.664 36.429 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.321 -6.172 35.390 1.00 0.00 H new ATOM 0 HG CYS A 43 79.221 -3.536 34.658 1.00 0.00 H new ATOM 666 N GLN A 44 78.923 -7.674 38.223 1.00 0.00 N ATOM 667 CA GLN A 44 79.074 -9.122 38.562 1.00 0.00 C ATOM 668 C GLN A 44 78.449 -9.408 39.928 1.00 0.00 C ATOM 669 O GLN A 44 77.435 -10.068 40.032 1.00 0.00 O ATOM 670 CB GLN A 44 80.561 -9.495 38.583 1.00 0.00 C ATOM 671 CG GLN A 44 80.710 -11.015 38.705 1.00 0.00 C ATOM 672 CD GLN A 44 82.192 -11.395 38.635 1.00 0.00 C ATOM 673 OE1 GLN A 44 82.565 -12.402 37.888 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.021 -10.768 39.265 1.00 0.00 N ATOM 0 H GLN A 44 79.752 -7.103 38.386 1.00 0.00 H new ATOM 0 HA GLN A 44 78.563 -9.720 37.807 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.047 -9.144 37.673 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.058 -9.003 39.419 1.00 0.00 H new ATOM 0 HG2 GLN A 44 80.281 -11.358 39.646 1.00 0.00 H new ATOM 0 HG3 GLN A 44 80.159 -11.510 37.905 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.732 -9.983 39.848 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.006 -11.027 39.211 1.00 0.00 H new ATOM 844 N PHE B 1 93.931 -14.280 22.236 1.00 0.00 N ATOM 845 CA PHE B 1 92.662 -14.021 22.974 1.00 0.00 C ATOM 846 C PHE B 1 92.050 -15.354 23.417 1.00 0.00 C ATOM 847 O PHE B 1 92.470 -15.956 24.386 1.00 0.00 O ATOM 848 CB PHE B 1 91.670 -13.298 22.056 1.00 0.00 C ATOM 849 CG PHE B 1 92.064 -11.848 21.887 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.749 -10.913 22.882 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.729 -11.434 20.726 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.101 -9.568 22.716 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.077 -10.088 20.559 1.00 0.00 C ATOM 854 CZ PHE B 1 92.764 -9.156 21.555 1.00 0.00 C ATOM 0 H1 PHE B 1 94.073 -13.540 21.519 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.728 -14.273 22.904 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.878 -15.208 21.769 1.00 0.00 H new ATOM 0 HA PHE B 1 92.873 -13.402 23.846 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.642 -13.789 21.083 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.666 -13.362 22.475 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.235 -11.230 23.777 1.00 0.00 H new ATOM 0 HD2 PHE B 1 92.974 -12.154 19.959 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.861 -8.848 23.485 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.587 -9.769 19.662 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.034 -8.118 21.427 1.00 0.00 H new ATOM 866 N LEU B 2 91.048 -15.810 22.713 1.00 0.00 N ATOM 867 CA LEU B 2 90.386 -17.094 23.080 1.00 0.00 C ATOM 868 C LEU B 2 91.392 -18.246 22.988 1.00 0.00 C ATOM 869 O LEU B 2 91.403 -19.140 23.812 1.00 0.00 O ATOM 870 CB LEU B 2 89.234 -17.351 22.102 1.00 0.00 C ATOM 871 CG LEU B 2 88.212 -16.206 22.180 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.204 -16.344 21.033 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.463 -16.247 23.524 1.00 0.00 C ATOM 0 H LEU B 2 90.658 -15.344 21.894 1.00 0.00 H new ATOM 0 HA LEU B 2 90.009 -17.031 24.101 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.621 -17.436 21.086 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.750 -18.298 22.339 1.00 0.00 H new ATOM 0 HG LEU B 2 88.740 -15.256 22.098 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.478 -15.533 21.087 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.730 -16.298 20.079 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.687 -17.300 21.116 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.743 -15.430 23.564 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.939 -17.198 23.620 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.176 -16.142 24.341 1.00 0.00 H new ATOM 885 N ASP B 3 92.230 -18.236 21.990 1.00 0.00 N ATOM 886 CA ASP B 3 93.230 -19.333 21.840 1.00 0.00 C ATOM 887 C ASP B 3 94.156 -19.369 23.055 1.00 0.00 C ATOM 888 O ASP B 3 94.408 -20.409 23.627 1.00 0.00 O ATOM 889 CB ASP B 3 94.061 -19.088 20.584 1.00 0.00 C ATOM 890 CG ASP B 3 95.089 -20.211 20.425 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.879 -20.396 21.335 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.067 -20.867 19.397 1.00 0.00 O ATOM 0 H ASP B 3 92.267 -17.515 21.270 1.00 0.00 H new ATOM 0 HA ASP B 3 92.706 -20.285 21.761 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.413 -19.047 19.709 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.566 -18.125 20.652 1.00 0.00 H new ATOM 897 N GLY B 4 94.670 -18.238 23.445 1.00 0.00 N ATOM 898 CA GLY B 4 95.589 -18.197 24.618 1.00 0.00 C ATOM 899 C GLY B 4 94.841 -18.659 25.868 1.00 0.00 C ATOM 900 O GLY B 4 95.388 -19.323 26.727 1.00 0.00 O ATOM 0 H GLY B 4 94.494 -17.336 23.002 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.452 -18.838 24.440 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.968 -17.185 24.761 1.00 0.00 H new ATOM 904 N ILE B 5 93.595 -18.300 25.975 1.00 0.00 N ATOM 905 CA ILE B 5 92.790 -18.694 27.165 1.00 0.00 C ATOM 906 C ILE B 5 92.595 -20.212 27.207 1.00 0.00 C ATOM 907 O ILE B 5 92.633 -20.817 28.260 1.00 0.00 O ATOM 908 CB ILE B 5 91.432 -17.989 27.100 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.634 -16.495 27.369 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.477 -18.582 28.143 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.357 -15.731 27.020 1.00 0.00 C ATOM 0 H ILE B 5 93.093 -17.744 25.282 1.00 0.00 H new ATOM 0 HA ILE B 5 93.318 -18.397 28.071 1.00 0.00 H new ATOM 0 HB ILE B 5 90.996 -18.131 26.111 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.890 -16.336 28.417 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.468 -16.119 26.777 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.515 -18.072 28.087 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.337 -19.645 27.945 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.899 -18.451 29.139 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.505 -14.668 27.213 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.121 -15.879 25.966 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.534 -16.100 27.632 1.00 0.00 H new ATOM 923 N ASP B 6 92.364 -20.833 26.087 1.00 0.00 N ATOM 924 CA ASP B 6 92.143 -22.306 26.099 1.00 0.00 C ATOM 925 C ASP B 6 93.377 -22.998 26.669 1.00 0.00 C ATOM 926 O ASP B 6 93.286 -23.827 27.553 1.00 0.00 O ATOM 927 CB ASP B 6 91.923 -22.799 24.671 1.00 0.00 C ATOM 928 CG ASP B 6 91.499 -24.268 24.696 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.370 -25.114 24.811 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.309 -24.523 24.599 1.00 0.00 O ATOM 0 H ASP B 6 92.318 -20.390 25.169 1.00 0.00 H new ATOM 0 HA ASP B 6 91.270 -22.534 26.711 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.157 -22.197 24.181 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.838 -22.684 24.091 1.00 0.00 H new ATOM 935 N LYS B 7 94.529 -22.663 26.171 1.00 0.00 N ATOM 936 CA LYS B 7 95.767 -23.301 26.685 1.00 0.00 C ATOM 937 C LYS B 7 95.999 -22.853 28.131 1.00 0.00 C ATOM 938 O LYS B 7 96.394 -23.628 28.980 1.00 0.00 O ATOM 939 CB LYS B 7 96.949 -22.866 25.822 1.00 0.00 C ATOM 940 CG LYS B 7 98.172 -23.703 26.184 1.00 0.00 C ATOM 941 CD LYS B 7 99.360 -23.273 25.321 1.00 0.00 C ATOM 942 CE LYS B 7 100.576 -24.138 25.657 1.00 0.00 C ATOM 943 NZ LYS B 7 100.341 -25.531 25.183 1.00 0.00 N ATOM 0 H LYS B 7 94.668 -21.975 25.431 1.00 0.00 H new ATOM 0 HA LYS B 7 95.668 -24.386 26.650 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.708 -22.990 24.766 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.159 -21.808 25.979 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.412 -23.577 27.240 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.960 -24.761 26.029 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.110 -23.373 24.265 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.589 -22.222 25.497 1.00 0.00 H new ATOM 0 HE2 LYS B 7 101.469 -23.728 25.185 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.753 -24.133 26.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.250 -26.031 25.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.725 -26.028 25.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.884 -25.507 24.249 1.00 0.00 H new ATOM 957 N ALA B 8 95.750 -21.603 28.410 1.00 0.00 N ATOM 958 CA ALA B 8 95.946 -21.082 29.794 1.00 0.00 C ATOM 959 C ALA B 8 94.882 -21.669 30.726 1.00 0.00 C ATOM 960 O ALA B 8 95.124 -21.906 31.892 1.00 0.00 O ATOM 961 CB ALA B 8 95.826 -19.556 29.785 1.00 0.00 C ATOM 0 H ALA B 8 95.417 -20.915 27.735 1.00 0.00 H new ATOM 0 HA ALA B 8 96.935 -21.371 30.149 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.969 -19.174 30.796 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.586 -19.135 29.127 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.837 -19.271 29.426 1.00 0.00 H new ATOM 967 N GLN B 9 93.700 -21.887 30.219 1.00 0.00 N ATOM 968 CA GLN B 9 92.609 -22.436 31.073 1.00 0.00 C ATOM 969 C GLN B 9 93.016 -23.811 31.607 1.00 0.00 C ATOM 970 O GLN B 9 93.586 -24.622 30.904 1.00 0.00 O ATOM 971 CB GLN B 9 91.336 -22.560 30.228 1.00 0.00 C ATOM 972 CG GLN B 9 90.195 -23.123 31.077 1.00 0.00 C ATOM 973 CD GLN B 9 88.926 -23.212 30.229 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.878 -22.700 29.128 1.00 0.00 O ATOM 975 NE2 GLN B 9 87.889 -23.853 30.695 1.00 0.00 N ATOM 0 H GLN B 9 93.442 -21.708 29.248 1.00 0.00 H new ATOM 0 HA GLN B 9 92.427 -21.771 31.917 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.057 -21.584 29.831 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.519 -23.211 29.373 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.462 -24.109 31.456 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.022 -22.484 31.943 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.928 -24.283 31.619 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.039 -23.924 30.135 1.00 0.00 H new ATOM 984 N GLU B 10 92.731 -24.071 32.855 1.00 0.00 N ATOM 985 CA GLU B 10 93.102 -25.383 33.454 1.00 0.00 C ATOM 986 C GLU B 10 92.450 -25.512 34.836 1.00 0.00 C ATOM 987 O GLU B 10 91.972 -24.546 35.398 1.00 0.00 O ATOM 988 CB GLU B 10 94.625 -25.462 33.587 1.00 0.00 C ATOM 989 CG GLU B 10 95.037 -26.876 34.004 1.00 0.00 C ATOM 990 CD GLU B 10 96.547 -27.047 33.813 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.146 -26.188 33.185 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.076 -28.035 34.292 1.00 0.00 O ATOM 0 H GLU B 10 92.255 -23.427 33.487 1.00 0.00 H new ATOM 0 HA GLU B 10 92.753 -26.195 32.816 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.096 -25.201 32.639 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.973 -24.739 34.325 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.770 -27.051 35.046 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.499 -27.613 33.408 1.00 0.00 H new ATOM 999 N GLU B 11 92.416 -26.700 35.381 1.00 0.00 N ATOM 1000 CA GLU B 11 91.786 -26.904 36.722 1.00 0.00 C ATOM 1001 C GLU B 11 92.224 -25.790 37.679 1.00 0.00 C ATOM 1002 O GLU B 11 93.145 -25.048 37.404 1.00 0.00 O ATOM 1003 CB GLU B 11 92.221 -28.258 37.288 1.00 0.00 C ATOM 1004 CG GLU B 11 91.590 -29.386 36.467 1.00 0.00 C ATOM 1005 CD GLU B 11 90.078 -29.412 36.705 1.00 0.00 C ATOM 1006 OE1 GLU B 11 89.677 -29.311 37.853 1.00 0.00 O ATOM 1007 OE2 GLU B 11 89.349 -29.532 35.735 1.00 0.00 O ATOM 0 H GLU B 11 92.799 -27.543 34.953 1.00 0.00 H new ATOM 0 HA GLU B 11 90.701 -26.881 36.615 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.308 -28.341 37.264 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.918 -28.341 38.332 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.799 -29.239 35.407 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.029 -30.343 36.748 1.00 0.00 H new ATOM 1014 N HIS B 12 91.563 -25.662 38.802 1.00 0.00 N ATOM 1015 CA HIS B 12 91.940 -24.589 39.767 1.00 0.00 C ATOM 1016 C HIS B 12 93.301 -24.907 40.387 1.00 0.00 C ATOM 1017 O HIS B 12 93.398 -25.344 41.517 1.00 0.00 O ATOM 1018 CB HIS B 12 90.889 -24.497 40.873 1.00 0.00 C ATOM 1019 CG HIS B 12 91.330 -23.501 41.913 1.00 0.00 C ATOM 1020 ND1 HIS B 12 91.195 -22.130 41.738 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.882 -23.667 43.159 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.649 -21.531 42.860 1.00 0.00 C ATOM 1023 NE2 HIS B 12 92.078 -22.425 43.752 1.00 0.00 N ATOM 0 H HIS B 12 90.782 -26.252 39.090 1.00 0.00 H new ATOM 0 HA HIS B 12 91.995 -23.638 39.238 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.930 -24.196 40.452 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.743 -25.475 41.331 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.821 -21.661 40.913 1.00 0.00 H new ATOM 0 HD2 HIS B 12 92.127 -24.617 43.610 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.663 -20.462 43.015 1.00 0.00 H new ATOM 1031 N GLU B 13 94.348 -24.674 39.654 1.00 0.00 N ATOM 1032 CA GLU B 13 95.713 -24.937 40.179 1.00 0.00 C ATOM 1033 C GLU B 13 96.139 -23.778 41.081 1.00 0.00 C ATOM 1034 O GLU B 13 95.485 -22.756 41.143 1.00 0.00 O ATOM 1035 CB GLU B 13 96.692 -25.052 39.014 1.00 0.00 C ATOM 1036 CG GLU B 13 96.423 -26.343 38.239 1.00 0.00 C ATOM 1037 CD GLU B 13 97.401 -26.442 37.067 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.883 -25.408 36.635 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.651 -27.550 36.622 1.00 0.00 O ATOM 0 H GLU B 13 94.317 -24.308 38.702 1.00 0.00 H new ATOM 0 HA GLU B 13 95.711 -25.866 40.749 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.588 -24.192 38.353 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.717 -25.047 39.386 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.536 -27.205 38.896 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.396 -26.354 37.873 1.00 0.00 H new ATOM 1046 N LYS B 14 97.234 -23.922 41.773 1.00 0.00 N ATOM 1047 CA LYS B 14 97.701 -22.819 42.657 1.00 0.00 C ATOM 1048 C LYS B 14 98.082 -21.627 41.779 1.00 0.00 C ATOM 1049 O LYS B 14 98.013 -20.486 42.193 1.00 0.00 O ATOM 1050 CB LYS B 14 98.927 -23.268 43.454 1.00 0.00 C ATOM 1051 CG LYS B 14 98.518 -24.316 44.490 1.00 0.00 C ATOM 1052 CD LYS B 14 99.753 -24.755 45.277 1.00 0.00 C ATOM 1053 CE LYS B 14 99.359 -25.819 46.302 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.549 -26.180 47.123 1.00 0.00 N ATOM 0 H LYS B 14 97.824 -24.754 41.765 1.00 0.00 H new ATOM 0 HA LYS B 14 96.908 -22.545 43.353 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.677 -23.683 42.781 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.383 -22.411 43.951 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.769 -23.903 45.166 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.063 -25.174 43.996 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.507 -25.152 44.597 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.199 -23.898 45.781 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.561 -25.444 46.943 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.972 -26.703 45.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.283 -26.904 47.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.297 -26.554 46.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.899 -25.335 47.617 1.00 0.00 H new ATOM 1068 N TYR B 15 98.482 -21.887 40.566 1.00 0.00 N ATOM 1069 CA TYR B 15 98.869 -20.780 39.650 1.00 0.00 C ATOM 1070 C TYR B 15 97.686 -19.819 39.499 1.00 0.00 C ATOM 1071 O TYR B 15 97.862 -18.645 39.239 1.00 0.00 O ATOM 1072 CB TYR B 15 99.255 -21.354 38.283 1.00 0.00 C ATOM 1073 CG TYR B 15 100.607 -22.024 38.385 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.775 -21.275 38.190 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.693 -23.390 38.676 1.00 0.00 C ATOM 1076 CE1 TYR B 15 103.028 -21.893 38.286 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.947 -24.008 38.772 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.114 -23.259 38.577 1.00 0.00 C ATOM 1079 OH TYR B 15 104.348 -23.870 38.674 1.00 0.00 O ATOM 0 H TYR B 15 98.558 -22.823 40.168 1.00 0.00 H new ATOM 0 HA TYR B 15 99.724 -20.242 40.061 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.505 -22.072 37.952 1.00 0.00 H new ATOM 0 HB3 TYR B 15 99.286 -20.559 37.538 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.709 -20.221 37.966 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.793 -23.968 38.827 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.928 -21.315 38.135 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.013 -25.062 38.996 1.00 0.00 H new ATOM 0 HH TYR B 15 104.227 -24.820 38.883 1.00 0.00 H new ATOM 1089 N HIS B 16 96.480 -20.296 39.676 1.00 0.00 N ATOM 1090 CA HIS B 16 95.307 -19.385 39.556 1.00 0.00 C ATOM 1091 C HIS B 16 95.444 -18.272 40.598 1.00 0.00 C ATOM 1092 O HIS B 16 95.162 -17.120 40.332 1.00 0.00 O ATOM 1093 CB HIS B 16 94.006 -20.160 39.829 1.00 0.00 C ATOM 1094 CG HIS B 16 93.567 -20.906 38.600 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.264 -21.378 38.447 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.229 -21.253 37.448 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.191 -21.971 37.240 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.358 -21.922 36.597 1.00 0.00 N ATOM 0 H HIS B 16 96.260 -21.267 39.896 1.00 0.00 H new ATOM 0 HA HIS B 16 95.274 -18.969 38.549 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.159 -20.860 40.651 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.223 -19.469 40.141 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.266 -21.039 37.236 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.298 -22.429 36.842 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.568 -22.298 35.672 1.00 0.00 H new ATOM 1106 N SER B 17 95.884 -18.605 41.781 1.00 0.00 N ATOM 1107 CA SER B 17 96.045 -17.560 42.827 1.00 0.00 C ATOM 1108 C SER B 17 97.093 -16.555 42.356 1.00 0.00 C ATOM 1109 O SER B 17 96.923 -15.358 42.479 1.00 0.00 O ATOM 1110 CB SER B 17 96.503 -18.214 44.131 1.00 0.00 C ATOM 1111 OG SER B 17 97.764 -18.837 43.924 1.00 0.00 O ATOM 0 H SER B 17 96.137 -19.551 42.066 1.00 0.00 H new ATOM 0 HA SER B 17 95.097 -17.050 42.999 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.579 -17.466 44.920 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.770 -18.950 44.460 1.00 0.00 H new ATOM 0 HG SER B 17 97.633 -19.699 43.477 1.00 0.00 H new ATOM 1117 N ASN B 18 98.173 -17.036 41.797 1.00 0.00 N ATOM 1118 CA ASN B 18 99.235 -16.121 41.289 1.00 0.00 C ATOM 1119 C ASN B 18 99.012 -15.885 39.796 1.00 0.00 C ATOM 1120 O ASN B 18 99.606 -16.538 38.962 1.00 0.00 O ATOM 1121 CB ASN B 18 100.608 -16.764 41.496 1.00 0.00 C ATOM 1122 CG ASN B 18 100.847 -16.993 42.989 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.266 -18.060 43.391 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.596 -16.031 43.834 1.00 0.00 N ATOM 0 H ASN B 18 98.365 -18.030 41.670 1.00 0.00 H new ATOM 0 HA ASN B 18 99.193 -15.175 41.828 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.662 -17.711 40.959 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.387 -16.121 41.087 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.752 -16.175 44.832 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.244 -15.135 43.497 1.00 0.00 H new ATOM 1131 N TRP B 19 98.162 -14.962 39.447 1.00 0.00 N ATOM 1132 CA TRP B 19 97.913 -14.701 38.003 1.00 0.00 C ATOM 1133 C TRP B 19 99.145 -14.048 37.376 1.00 0.00 C ATOM 1134 O TRP B 19 99.385 -14.172 36.191 1.00 0.00 O ATOM 1135 CB TRP B 19 96.691 -13.799 37.831 1.00 0.00 C ATOM 1136 CG TRP B 19 96.946 -12.457 38.430 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.555 -12.070 39.666 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.632 -11.316 37.841 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.949 -10.761 39.870 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.618 -10.253 38.774 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.257 -11.102 36.600 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.202 -9.019 38.485 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.848 -9.863 36.306 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.819 -8.823 37.247 1.00 0.00 C ATOM 0 H TRP B 19 97.631 -14.380 40.095 1.00 0.00 H new ATOM 0 HA TRP B 19 97.718 -15.648 37.500 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.456 -13.693 36.772 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.823 -14.257 38.306 1.00 0.00 H new ATOM 0 HD1 TRP B 19 96.022 -12.684 40.377 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.768 -10.235 40.725 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.283 -11.896 35.868 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.177 -8.222 39.213 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.327 -9.710 35.350 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.273 -7.871 37.015 1.00 0.00 H new ATOM 1155 N ARG B 20 99.928 -13.346 38.153 1.00 0.00 N ATOM 1156 CA ARG B 20 101.133 -12.686 37.575 1.00 0.00 C ATOM 1157 C ARG B 20 102.058 -13.743 36.969 1.00 0.00 C ATOM 1158 O ARG B 20 102.618 -13.553 35.908 1.00 0.00 O ATOM 1159 CB ARG B 20 101.896 -11.938 38.673 1.00 0.00 C ATOM 1160 CG ARG B 20 101.097 -10.715 39.130 1.00 0.00 C ATOM 1161 CD ARG B 20 101.886 -9.990 40.226 1.00 0.00 C ATOM 1162 NE ARG B 20 101.065 -8.874 40.803 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.592 -7.909 40.060 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.961 -7.786 38.815 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.779 -7.032 40.580 1.00 0.00 N ATOM 0 H ARG B 20 99.787 -13.203 39.153 1.00 0.00 H new ATOM 0 HA ARG B 20 100.813 -11.984 36.805 1.00 0.00 H new ATOM 0 HB2 ARG B 20 102.075 -12.602 39.519 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.872 -11.626 38.301 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.918 -10.046 38.289 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.121 -11.021 39.507 1.00 0.00 H new ATOM 0 HD2 ARG B 20 102.161 -10.693 41.012 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.814 -9.593 39.814 1.00 0.00 H new ATOM 0 HE ARG B 20 100.871 -8.869 41.804 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.625 -8.447 38.412 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.585 -7.029 38.244 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.515 -7.101 41.563 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.407 -6.277 40.004 1.00 0.00 H new ATOM 1179 N ALA B 21 102.221 -14.857 37.625 1.00 0.00 N ATOM 1180 CA ALA B 21 103.108 -15.917 37.069 1.00 0.00 C ATOM 1181 C ALA B 21 102.575 -16.357 35.707 1.00 0.00 C ATOM 1182 O ALA B 21 103.306 -16.443 34.739 1.00 0.00 O ATOM 1183 CB ALA B 21 103.138 -17.120 38.018 1.00 0.00 C ATOM 0 H ALA B 21 101.781 -15.079 38.518 1.00 0.00 H new ATOM 0 HA ALA B 21 104.118 -15.522 36.959 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.788 -17.892 37.606 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.517 -16.807 38.991 1.00 0.00 H new ATOM 0 HB3 ALA B 21 102.130 -17.518 38.133 1.00 0.00 H new ATOM 1189 N MET B 22 101.305 -16.643 35.627 1.00 0.00 N ATOM 1190 CA MET B 22 100.720 -17.085 34.331 1.00 0.00 C ATOM 1191 C MET B 22 100.856 -15.969 33.294 1.00 0.00 C ATOM 1192 O MET B 22 101.188 -16.211 32.150 1.00 0.00 O ATOM 1193 CB MET B 22 99.243 -17.428 34.540 1.00 0.00 C ATOM 1194 CG MET B 22 98.628 -17.886 33.216 1.00 0.00 C ATOM 1195 SD MET B 22 96.926 -18.435 33.499 1.00 0.00 S ATOM 1196 CE MET B 22 96.266 -16.855 34.083 1.00 0.00 C ATOM 0 H MET B 22 100.647 -16.590 36.404 1.00 0.00 H new ATOM 0 HA MET B 22 101.251 -17.966 33.970 1.00 0.00 H new ATOM 0 HB2 MET B 22 99.145 -18.214 35.289 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.708 -16.558 34.919 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.643 -17.069 32.494 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.217 -18.698 32.791 1.00 0.00 H new ATOM 0 HE1 MET B 22 95.202 -16.797 33.852 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.408 -16.777 35.161 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.789 -16.037 33.588 1.00 0.00 H new ATOM 1206 N ALA B 23 100.609 -14.747 33.680 1.00 0.00 N ATOM 1207 CA ALA B 23 100.735 -13.625 32.705 1.00 0.00 C ATOM 1208 C ALA B 23 102.190 -13.516 32.252 1.00 0.00 C ATOM 1209 O ALA B 23 102.478 -13.314 31.088 1.00 0.00 O ATOM 1210 CB ALA B 23 100.308 -12.316 33.375 1.00 0.00 C ATOM 0 H ALA B 23 100.327 -14.477 34.622 1.00 0.00 H new ATOM 0 HA ALA B 23 100.096 -13.814 31.843 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.400 -11.496 32.663 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.272 -12.397 33.704 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.948 -12.122 34.236 1.00 0.00 H new ATOM 1216 N SER B 24 103.111 -13.651 33.164 1.00 0.00 N ATOM 1217 CA SER B 24 104.549 -13.557 32.792 1.00 0.00 C ATOM 1218 C SER B 24 104.938 -14.773 31.951 1.00 0.00 C ATOM 1219 O SER B 24 105.687 -14.672 31.000 1.00 0.00 O ATOM 1220 CB SER B 24 105.398 -13.525 34.064 1.00 0.00 C ATOM 1221 OG SER B 24 106.764 -13.343 33.712 1.00 0.00 O ATOM 0 H SER B 24 102.929 -13.823 34.153 1.00 0.00 H new ATOM 0 HA SER B 24 104.719 -12.648 32.215 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.067 -12.716 34.716 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.275 -14.454 34.621 1.00 0.00 H new ATOM 0 HG SER B 24 107.311 -13.320 34.525 1.00 0.00 H new ATOM 1227 N ASP B 25 104.445 -15.927 32.306 1.00 0.00 N ATOM 1228 CA ASP B 25 104.791 -17.158 31.542 1.00 0.00 C ATOM 1229 C ASP B 25 104.349 -17.023 30.084 1.00 0.00 C ATOM 1230 O ASP B 25 105.052 -17.416 29.174 1.00 0.00 O ATOM 1231 CB ASP B 25 104.085 -18.358 32.173 1.00 0.00 C ATOM 1232 CG ASP B 25 104.440 -19.625 31.393 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.765 -19.905 30.416 1.00 0.00 O ATOM 1234 OD2 ASP B 25 105.378 -20.297 31.790 1.00 0.00 O ATOM 0 H ASP B 25 103.815 -16.071 33.095 1.00 0.00 H new ATOM 0 HA ASP B 25 105.871 -17.300 31.572 1.00 0.00 H new ATOM 0 HB2 ASP B 25 104.385 -18.464 33.216 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.006 -18.204 32.166 1.00 0.00 H new ATOM 1239 N PHE B 26 103.182 -16.476 29.853 1.00 0.00 N ATOM 1240 CA PHE B 26 102.679 -16.319 28.451 1.00 0.00 C ATOM 1241 C PHE B 26 102.907 -14.885 27.975 1.00 0.00 C ATOM 1242 O PHE B 26 102.532 -14.518 26.880 1.00 0.00 O ATOM 1243 CB PHE B 26 101.186 -16.650 28.411 1.00 0.00 C ATOM 1244 CG PHE B 26 101.009 -18.137 28.601 1.00 0.00 C ATOM 1245 CD1 PHE B 26 101.160 -19.001 27.510 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.704 -18.652 29.867 1.00 0.00 C ATOM 1247 CE1 PHE B 26 101.005 -20.381 27.684 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.550 -20.034 30.040 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.701 -20.897 28.949 1.00 0.00 C ATOM 0 H PHE B 26 102.553 -16.130 30.577 1.00 0.00 H new ATOM 0 HA PHE B 26 103.220 -16.999 27.792 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.658 -16.105 29.193 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.756 -16.338 27.459 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.396 -18.603 26.534 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.588 -17.985 30.709 1.00 0.00 H new ATOM 0 HE1 PHE B 26 101.120 -21.048 26.842 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.315 -20.433 31.016 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.583 -21.962 29.083 1.00 0.00 H new ATOM 1259 N ASN B 27 103.533 -14.078 28.788 1.00 0.00 N ATOM 1260 CA ASN B 27 103.809 -12.671 28.386 1.00 0.00 C ATOM 1261 C ASN B 27 102.511 -11.974 27.975 1.00 0.00 C ATOM 1262 O ASN B 27 102.485 -11.213 27.028 1.00 0.00 O ATOM 1263 CB ASN B 27 104.791 -12.658 27.212 1.00 0.00 C ATOM 1264 CG ASN B 27 106.087 -13.355 27.630 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.454 -14.368 27.067 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.799 -12.854 28.600 1.00 0.00 N ATOM 0 H ASN B 27 103.866 -14.335 29.717 1.00 0.00 H new ATOM 0 HA ASN B 27 104.243 -12.139 29.233 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.354 -13.164 26.351 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.998 -11.632 26.907 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.664 -13.312 28.887 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.491 -12.004 29.072 1.00 0.00 H new ATOM 1273 N LEU B 28 101.435 -12.219 28.684 1.00 0.00 N ATOM 1274 CA LEU B 28 100.133 -11.559 28.344 1.00 0.00 C ATOM 1275 C LEU B 28 99.803 -10.545 29.445 1.00 0.00 C ATOM 1276 O LEU B 28 100.168 -10.737 30.588 1.00 0.00 O ATOM 1277 CB LEU B 28 99.021 -12.617 28.302 1.00 0.00 C ATOM 1278 CG LEU B 28 99.243 -13.580 27.125 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.381 -14.830 27.330 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.851 -12.907 25.797 1.00 0.00 C ATOM 0 H LEU B 28 101.402 -12.849 29.485 1.00 0.00 H new ATOM 0 HA LEU B 28 100.208 -11.065 27.375 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.005 -13.175 29.238 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.051 -12.130 28.204 1.00 0.00 H new ATOM 0 HG LEU B 28 100.298 -13.852 27.084 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.534 -15.518 26.498 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.665 -15.319 28.262 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.330 -14.544 27.376 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.015 -13.603 24.974 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.799 -12.624 25.829 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.462 -12.017 25.646 1.00 0.00 H new ATOM 1292 N PRO B 29 99.109 -9.479 29.124 1.00 0.00 N ATOM 1293 CA PRO B 29 98.732 -8.452 30.134 1.00 0.00 C ATOM 1294 C PRO B 29 97.695 -9.006 31.119 1.00 0.00 C ATOM 1295 O PRO B 29 97.040 -9.992 30.844 1.00 0.00 O ATOM 1296 CB PRO B 29 98.153 -7.300 29.295 1.00 0.00 C ATOM 1297 CG PRO B 29 97.675 -7.944 28.033 1.00 0.00 C ATOM 1298 CD PRO B 29 98.611 -9.130 27.780 1.00 0.00 C ATOM 0 HA PRO B 29 99.575 -8.133 30.747 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.336 -6.802 29.818 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.909 -6.542 29.090 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.642 -8.277 28.133 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.704 -7.240 27.201 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.083 -9.965 27.320 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.426 -8.860 27.109 1.00 0.00 H new ATOM 1306 N PRO B 30 97.558 -8.392 32.262 1.00 0.00 N ATOM 1307 CA PRO B 30 96.596 -8.849 33.307 1.00 0.00 C ATOM 1308 C PRO B 30 95.170 -8.969 32.756 1.00 0.00 C ATOM 1309 O PRO B 30 94.328 -9.631 33.324 1.00 0.00 O ATOM 1310 CB PRO B 30 96.681 -7.755 34.399 1.00 0.00 C ATOM 1311 CG PRO B 30 97.363 -6.592 33.742 1.00 0.00 C ATOM 1312 CD PRO B 30 98.286 -7.191 32.688 1.00 0.00 C ATOM 0 HA PRO B 30 96.841 -9.842 33.683 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.689 -7.478 34.757 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.245 -8.105 35.263 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.636 -5.919 33.288 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.927 -6.008 34.469 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.452 -6.504 31.859 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.265 -7.436 33.100 1.00 0.00 H new ATOM 1320 N VAL B 31 94.890 -8.324 31.664 1.00 0.00 N ATOM 1321 CA VAL B 31 93.515 -8.391 31.103 1.00 0.00 C ATOM 1322 C VAL B 31 93.147 -9.837 30.783 1.00 0.00 C ATOM 1323 O VAL B 31 92.119 -10.331 31.200 1.00 0.00 O ATOM 1324 CB VAL B 31 93.465 -7.561 29.822 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.072 -7.655 29.195 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.789 -6.106 30.153 1.00 0.00 C ATOM 0 H VAL B 31 95.551 -7.754 31.135 1.00 0.00 H new ATOM 0 HA VAL B 31 92.806 -8.000 31.833 1.00 0.00 H new ATOM 0 HB VAL B 31 94.197 -7.944 29.111 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.043 -7.061 28.282 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.849 -8.695 28.958 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.330 -7.276 29.898 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.755 -5.509 29.242 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.058 -5.723 30.865 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.786 -6.045 30.589 1.00 0.00 H new ATOM 1336 N VAL B 32 93.975 -10.521 30.051 1.00 0.00 N ATOM 1337 CA VAL B 32 93.656 -11.933 29.719 1.00 0.00 C ATOM 1338 C VAL B 32 93.749 -12.772 30.992 1.00 0.00 C ATOM 1339 O VAL B 32 92.907 -13.605 31.267 1.00 0.00 O ATOM 1340 CB VAL B 32 94.653 -12.448 28.676 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.478 -13.958 28.492 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.401 -11.739 27.343 1.00 0.00 C ATOM 0 H VAL B 32 94.853 -10.167 29.670 1.00 0.00 H new ATOM 0 HA VAL B 32 92.648 -12.004 29.310 1.00 0.00 H new ATOM 0 HB VAL B 32 95.669 -12.244 29.015 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.189 -14.319 27.749 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.657 -14.463 29.441 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.463 -14.168 28.154 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.109 -12.103 26.598 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.384 -11.944 27.008 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.531 -10.664 27.472 1.00 0.00 H new ATOM 1352 N ALA B 33 94.768 -12.554 31.774 1.00 0.00 N ATOM 1353 CA ALA B 33 94.922 -13.331 33.033 1.00 0.00 C ATOM 1354 C ALA B 33 93.768 -13.006 33.987 1.00 0.00 C ATOM 1355 O ALA B 33 93.209 -13.883 34.613 1.00 0.00 O ATOM 1356 CB ALA B 33 96.256 -12.974 33.694 1.00 0.00 C ATOM 0 H ALA B 33 95.502 -11.869 31.595 1.00 0.00 H new ATOM 0 HA ALA B 33 94.906 -14.397 32.804 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.369 -13.543 34.617 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.074 -13.216 33.016 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.276 -11.908 33.921 1.00 0.00 H new ATOM 1362 N LYS B 34 93.403 -11.754 34.105 1.00 0.00 N ATOM 1363 CA LYS B 34 92.283 -11.398 35.023 1.00 0.00 C ATOM 1364 C LYS B 34 90.980 -12.039 34.535 1.00 0.00 C ATOM 1365 O LYS B 34 90.182 -12.511 35.320 1.00 0.00 O ATOM 1366 CB LYS B 34 92.120 -9.873 35.078 1.00 0.00 C ATOM 1367 CG LYS B 34 93.291 -9.230 35.849 1.00 0.00 C ATOM 1368 CD LYS B 34 93.033 -9.288 37.362 1.00 0.00 C ATOM 1369 CE LYS B 34 94.131 -8.512 38.095 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.178 -7.112 37.585 1.00 0.00 N ATOM 0 H LYS B 34 93.829 -10.971 33.610 1.00 0.00 H new ATOM 0 HA LYS B 34 92.512 -11.772 36.021 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.078 -9.469 34.066 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.176 -9.620 35.561 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.219 -9.749 35.612 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.416 -8.194 35.535 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.056 -8.863 37.592 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.017 -10.324 37.700 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.937 -8.513 39.168 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.095 -8.997 37.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.581 -6.490 38.315 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.770 -7.073 36.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.215 -6.795 37.353 1.00 0.00 H new ATOM 1384 N GLU B 35 90.748 -12.054 33.249 1.00 0.00 N ATOM 1385 CA GLU B 35 89.485 -12.657 32.733 1.00 0.00 C ATOM 1386 C GLU B 35 89.417 -14.138 33.116 1.00 0.00 C ATOM 1387 O GLU B 35 88.380 -14.637 33.504 1.00 0.00 O ATOM 1388 CB GLU B 35 89.439 -12.525 31.208 1.00 0.00 C ATOM 1389 CG GLU B 35 88.070 -12.987 30.685 1.00 0.00 C ATOM 1390 CD GLU B 35 88.022 -14.517 30.638 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.801 -15.092 29.897 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.206 -15.086 31.345 1.00 0.00 O ATOM 0 H GLU B 35 91.374 -11.677 32.538 1.00 0.00 H new ATOM 0 HA GLU B 35 88.636 -12.133 33.172 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.618 -11.490 30.918 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.231 -13.124 30.758 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.277 -12.609 31.331 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.893 -12.578 29.690 1.00 0.00 H new ATOM 1399 N ILE B 36 90.508 -14.847 33.012 1.00 0.00 N ATOM 1400 CA ILE B 36 90.484 -16.292 33.374 1.00 0.00 C ATOM 1401 C ILE B 36 90.182 -16.422 34.867 1.00 0.00 C ATOM 1402 O ILE B 36 89.434 -17.279 35.292 1.00 0.00 O ATOM 1403 CB ILE B 36 91.845 -16.916 33.054 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.091 -16.844 31.545 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.856 -18.380 33.501 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.567 -17.119 31.250 1.00 0.00 C ATOM 0 H ILE B 36 91.409 -14.491 32.694 1.00 0.00 H new ATOM 0 HA ILE B 36 89.714 -16.811 32.803 1.00 0.00 H new ATOM 0 HB ILE B 36 92.628 -16.371 33.581 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.465 -17.573 31.030 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.812 -15.860 31.168 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.825 -18.823 33.273 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.676 -18.434 34.575 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.074 -18.927 32.974 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.739 -17.067 30.175 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.183 -16.374 31.753 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.831 -18.112 31.612 1.00 0.00 H new ATOM 1418 N VAL B 37 90.752 -15.560 35.659 1.00 0.00 N ATOM 1419 CA VAL B 37 90.504 -15.598 37.128 1.00 0.00 C ATOM 1420 C VAL B 37 89.043 -15.225 37.397 1.00 0.00 C ATOM 1421 O VAL B 37 88.389 -15.787 38.255 1.00 0.00 O ATOM 1422 CB VAL B 37 91.428 -14.584 37.809 1.00 0.00 C ATOM 1423 CG1 VAL B 37 91.032 -14.415 39.277 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.874 -15.076 37.728 1.00 0.00 C ATOM 0 H VAL B 37 91.386 -14.823 35.350 1.00 0.00 H new ATOM 0 HA VAL B 37 90.701 -16.596 37.520 1.00 0.00 H new ATOM 0 HB VAL B 37 91.337 -13.624 37.301 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.695 -13.692 39.752 1.00 0.00 H new ATOM 0 HG12 VAL B 37 90.004 -14.059 39.338 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.115 -15.374 39.789 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.532 -14.354 38.213 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.959 -16.039 38.231 1.00 0.00 H new ATOM 0 HG23 VAL B 37 93.163 -15.185 36.683 1.00 0.00 H new ATOM 1434 N ALA B 38 88.541 -14.263 36.676 1.00 0.00 N ATOM 1435 CA ALA B 38 87.134 -13.808 36.876 1.00 0.00 C ATOM 1436 C ALA B 38 86.152 -14.934 36.543 1.00 0.00 C ATOM 1437 O ALA B 38 85.121 -15.071 37.170 1.00 0.00 O ATOM 1438 CB ALA B 38 86.858 -12.615 35.963 1.00 0.00 C ATOM 0 H ALA B 38 89.051 -13.765 35.947 1.00 0.00 H new ATOM 0 HA ALA B 38 87.001 -13.523 37.920 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.831 -12.278 36.105 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.543 -11.803 36.208 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.002 -12.911 34.924 1.00 0.00 H new ATOM 1444 N SER B 39 86.445 -15.729 35.552 1.00 0.00 N ATOM 1445 CA SER B 39 85.499 -16.821 35.184 1.00 0.00 C ATOM 1446 C SER B 39 85.516 -17.906 36.261 1.00 0.00 C ATOM 1447 O SER B 39 84.507 -18.514 36.554 1.00 0.00 O ATOM 1448 CB SER B 39 85.904 -17.427 33.840 1.00 0.00 C ATOM 1449 OG SER B 39 85.856 -16.422 32.837 1.00 0.00 O ATOM 0 H SER B 39 87.291 -15.672 34.985 1.00 0.00 H new ATOM 0 HA SER B 39 84.493 -16.408 35.104 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.909 -17.844 33.905 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.234 -18.247 33.581 1.00 0.00 H new ATOM 0 HG SER B 39 86.767 -16.207 32.545 1.00 0.00 H new ATOM 1455 N CYS B 40 86.646 -18.150 36.862 1.00 0.00 N ATOM 1456 CA CYS B 40 86.697 -19.190 37.924 1.00 0.00 C ATOM 1457 C CYS B 40 86.033 -18.627 39.187 1.00 0.00 C ATOM 1458 O CYS B 40 86.592 -17.802 39.884 1.00 0.00 O ATOM 1459 CB CYS B 40 88.156 -19.561 38.208 1.00 0.00 C ATOM 1460 SG CYS B 40 88.223 -20.903 39.421 1.00 0.00 S ATOM 0 H CYS B 40 87.529 -17.679 36.666 1.00 0.00 H new ATOM 0 HA CYS B 40 86.169 -20.088 37.603 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.649 -19.868 37.285 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.695 -18.692 38.584 1.00 0.00 H new ATOM 0 HG CYS B 40 89.149 -20.650 40.298 1.00 0.00 H new ATOM 1465 N ASP B 41 84.833 -19.059 39.467 1.00 0.00 N ATOM 1466 CA ASP B 41 84.096 -18.553 40.663 1.00 0.00 C ATOM 1467 C ASP B 41 84.877 -18.861 41.940 1.00 0.00 C ATOM 1468 O ASP B 41 84.918 -18.069 42.860 1.00 0.00 O ATOM 1469 CB ASP B 41 82.718 -19.217 40.733 1.00 0.00 C ATOM 1470 CG ASP B 41 81.825 -18.655 39.625 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.830 -17.448 39.442 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.149 -19.439 38.980 1.00 0.00 O ATOM 0 H ASP B 41 84.326 -19.749 38.912 1.00 0.00 H new ATOM 0 HA ASP B 41 83.980 -17.473 40.574 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.817 -20.297 40.623 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.264 -19.036 41.707 1.00 0.00 H new ATOM 1477 N LYS B 42 85.480 -20.011 42.014 1.00 0.00 N ATOM 1478 CA LYS B 42 86.239 -20.376 43.241 1.00 0.00 C ATOM 1479 C LYS B 42 87.355 -19.355 43.473 1.00 0.00 C ATOM 1480 O LYS B 42 87.640 -18.983 44.593 1.00 0.00 O ATOM 1481 CB LYS B 42 86.857 -21.770 43.062 1.00 0.00 C ATOM 1482 CG LYS B 42 85.754 -22.843 42.981 1.00 0.00 C ATOM 1483 CD LYS B 42 85.314 -23.284 44.395 1.00 0.00 C ATOM 1484 CE LYS B 42 86.216 -24.417 44.901 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.704 -24.911 46.211 1.00 0.00 N ATOM 0 H LYS B 42 85.481 -20.716 41.277 1.00 0.00 H new ATOM 0 HA LYS B 42 85.565 -20.381 44.097 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.462 -21.792 42.155 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.524 -21.988 43.896 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.897 -22.450 42.435 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.119 -23.705 42.423 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.363 -22.437 45.080 1.00 0.00 H new ATOM 0 HD3 LYS B 42 84.276 -23.617 44.374 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.237 -25.231 44.176 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.240 -24.060 45.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.315 -25.679 46.555 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.706 -24.132 46.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.734 -25.267 46.093 1.00 0.00 H new ATOM 1499 N CYS B 43 87.997 -18.903 42.430 1.00 0.00 N ATOM 1500 CA CYS B 43 89.098 -17.915 42.612 1.00 0.00 C ATOM 1501 C CYS B 43 88.524 -16.553 43.023 1.00 0.00 C ATOM 1502 O CYS B 43 88.973 -15.939 43.970 1.00 0.00 O ATOM 1503 CB CYS B 43 89.844 -17.736 41.293 1.00 0.00 C ATOM 1504 SG CYS B 43 90.703 -19.263 40.860 1.00 0.00 S ATOM 0 H CYS B 43 87.808 -19.173 41.465 1.00 0.00 H new ATOM 0 HA CYS B 43 89.770 -18.284 43.386 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.143 -17.466 40.503 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.559 -16.918 41.378 1.00 0.00 H new ATOM 0 HG CYS B 43 91.282 -19.123 39.704 1.00 0.00 H new ATOM 1509 N GLN B 44 87.544 -16.074 42.306 1.00 0.00 N ATOM 1510 CA GLN B 44 86.948 -14.745 42.638 1.00 0.00 C ATOM 1511 C GLN B 44 85.963 -14.889 43.798 1.00 0.00 C ATOM 1512 O GLN B 44 86.207 -14.425 44.894 1.00 0.00 O ATOM 1513 CB GLN B 44 86.220 -14.183 41.410 1.00 0.00 C ATOM 1514 CG GLN B 44 85.807 -12.731 41.676 1.00 0.00 C ATOM 1515 CD GLN B 44 85.165 -12.141 40.416 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.349 -12.778 39.781 1.00 0.00 O ATOM 1517 NE2 GLN B 44 85.501 -10.938 40.025 1.00 0.00 N ATOM 0 H GLN B 44 87.128 -16.546 41.503 1.00 0.00 H new ATOM 0 HA GLN B 44 87.745 -14.061 42.930 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.869 -14.233 40.536 1.00 0.00 H new ATOM 0 HB3 GLN B 44 85.340 -14.787 41.188 1.00 0.00 H new ATOM 0 HG2 GLN B 44 85.105 -12.689 42.508 1.00 0.00 H new ATOM 0 HG3 GLN B 44 86.678 -12.141 41.963 1.00 0.00 H new ATOM 0 HE21 GLN B 44 86.186 -10.402 40.557 1.00 0.00 H new ATOM 0 HE22 GLN B 44 85.078 -10.537 39.188 1.00 0.00 H new