USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -1.57! X(o=-2.5!,f=-2.4) USER MOD Set 1.2: B 44 GLN : amide:sc= -0.924 X(o=-2.5,f=-2.4) USER MOD Single : A 1 PHE N :NH3+ 152:sc= 0.938 (180deg=0.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0549 F(o=-0.94,f=-0.055) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -19:sc= 1.26 USER MOD Single : A 16 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-2.8!) USER MOD Single : A 17 SER OG : rot -37:sc= 0.57 USER MOD Single : A 18 ASN : amide:sc= -0.0626 K(o=-0.063,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.166 (180deg=-1.36) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 137:sc= -0.248! USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0306 (180deg=-0.323) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 53 GLN :FLIP amide:sc= -2.14! C(o=-2.8!,f=-2.1!) USER MOD Single : B 1 PHE N :NH3+ 130:sc= 1.01 (180deg=0.365) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN :FLIP amide:sc= -0.0542 F(o=-0.95,f=-0.054) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -38:sc= 1.28 USER MOD Single : B 16 HIS : no HD1:sc= -2.63 X(o=-2.6,f=-3!) USER MOD Single : B 17 SER OG : rot -36:sc= 0.546 USER MOD Single : B 18 ASN : amide:sc= -0.0228 K(o=-0.023,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 150:sc= -0.152 (180deg=-1.24) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0222 F(o=-0.84,f=-0.022) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 141:sc= -0.229! USER MOD Single : B 42 LYS NZ :NH3+ 162:sc= -0.0262 (180deg=-0.324) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : B 53 GLN :FLIP amide:sc= -2.02! C(o=-2.7!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.389 -4.875 23.746 1.00 0.00 N ATOM 2 CA PHE A 1 95.019 -4.096 24.960 1.00 0.00 C ATOM 3 C PHE A 1 95.136 -2.604 24.655 1.00 0.00 C ATOM 4 O PHE A 1 96.219 -2.062 24.560 1.00 0.00 O ATOM 5 CB PHE A 1 95.959 -4.471 26.106 1.00 0.00 C ATOM 6 CG PHE A 1 96.170 -5.969 26.101 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.113 -6.820 26.435 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.417 -6.507 25.753 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.297 -8.207 26.425 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.602 -7.896 25.743 1.00 0.00 C ATOM 11 CZ PHE A 1 96.542 -8.745 26.080 1.00 0.00 C ATOM 0 H1 PHE A 1 95.769 -5.800 24.030 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.546 -5.014 23.153 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.110 -4.355 23.206 1.00 0.00 H new ATOM 0 HA PHE A 1 93.993 -4.324 25.250 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.913 -3.956 25.994 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.536 -4.154 27.059 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.152 -6.406 26.701 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.235 -5.851 25.493 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.478 -8.862 26.683 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.562 -8.311 25.475 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.685 -9.816 26.074 1.00 0.00 H new ATOM 23 N LEU A 2 94.022 -1.939 24.488 1.00 0.00 N ATOM 24 CA LEU A 2 94.054 -0.478 24.169 1.00 0.00 C ATOM 25 C LEU A 2 93.841 0.353 25.427 1.00 0.00 C ATOM 26 O LEU A 2 93.026 0.040 26.266 1.00 0.00 O ATOM 27 CB LEU A 2 92.953 -0.149 23.154 1.00 0.00 C ATOM 28 CG LEU A 2 93.153 -0.962 21.867 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.028 -0.625 20.884 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.513 -0.624 21.227 1.00 0.00 C ATOM 0 H LEU A 2 93.089 -2.345 24.559 1.00 0.00 H new ATOM 0 HA LEU A 2 95.031 -0.238 23.750 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.976 -0.370 23.583 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.967 0.917 22.925 1.00 0.00 H new ATOM 0 HG LEU A 2 93.133 -2.025 22.107 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.162 -1.198 19.967 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.066 -0.876 21.331 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.053 0.440 20.653 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.641 -1.208 20.315 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.547 0.438 20.985 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.314 -0.863 21.927 1.00 0.00 H new ATOM 42 N ASP A 3 94.570 1.428 25.545 1.00 0.00 N ATOM 43 CA ASP A 3 94.422 2.316 26.730 1.00 0.00 C ATOM 44 C ASP A 3 92.986 2.829 26.777 1.00 0.00 C ATOM 45 O ASP A 3 92.387 2.934 27.830 1.00 0.00 O ATOM 46 CB ASP A 3 95.388 3.497 26.617 1.00 0.00 C ATOM 47 CG ASP A 3 96.824 3.002 26.802 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.994 1.930 27.360 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.729 3.707 26.387 1.00 0.00 O ATOM 0 H ASP A 3 95.267 1.731 24.865 1.00 0.00 H new ATOM 0 HA ASP A 3 94.650 1.761 27.640 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.280 3.977 25.644 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.151 4.248 27.371 1.00 0.00 H new ATOM 54 N GLY A 4 92.424 3.146 25.636 1.00 0.00 N ATOM 55 CA GLY A 4 91.014 3.644 25.596 1.00 0.00 C ATOM 56 C GLY A 4 90.141 2.758 26.487 1.00 0.00 C ATOM 57 O GLY A 4 89.038 3.115 26.853 1.00 0.00 O ATOM 0 H GLY A 4 92.883 3.081 24.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.971 4.678 25.938 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.640 3.631 24.572 1.00 0.00 H new ATOM 61 N ILE A 5 90.645 1.614 26.858 1.00 0.00 N ATOM 62 CA ILE A 5 89.879 0.705 27.746 1.00 0.00 C ATOM 63 C ILE A 5 89.563 1.456 29.044 1.00 0.00 C ATOM 64 O ILE A 5 88.513 1.289 29.631 1.00 0.00 O ATOM 65 CB ILE A 5 90.737 -0.543 28.027 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.681 -1.478 26.813 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.221 -1.281 29.271 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.747 -2.569 26.954 1.00 0.00 C ATOM 0 H ILE A 5 91.564 1.270 26.580 1.00 0.00 H new ATOM 0 HA ILE A 5 88.945 0.390 27.282 1.00 0.00 H new ATOM 0 HB ILE A 5 91.766 -0.233 28.209 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.692 -1.930 26.735 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.846 -0.911 25.897 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.839 -2.160 29.455 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.269 -0.617 30.134 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.189 -1.591 29.108 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.705 -3.232 26.090 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.733 -2.109 27.011 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.562 -3.143 27.862 1.00 0.00 H new ATOM 80 N ASP A 6 90.459 2.295 29.483 1.00 0.00 N ATOM 81 CA ASP A 6 90.208 3.072 30.729 1.00 0.00 C ATOM 82 C ASP A 6 88.953 3.928 30.540 1.00 0.00 C ATOM 83 O ASP A 6 88.142 4.068 31.433 1.00 0.00 O ATOM 84 CB ASP A 6 91.407 3.979 31.015 1.00 0.00 C ATOM 85 CG ASP A 6 92.604 3.125 31.438 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.382 2.020 31.905 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.721 3.590 31.284 1.00 0.00 O ATOM 0 H ASP A 6 91.356 2.477 29.032 1.00 0.00 H new ATOM 0 HA ASP A 6 90.065 2.389 31.566 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.657 4.560 30.127 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.158 4.691 31.802 1.00 0.00 H new ATOM 92 N LYS A 7 88.788 4.502 29.380 1.00 0.00 N ATOM 93 CA LYS A 7 87.586 5.347 29.128 1.00 0.00 C ATOM 94 C LYS A 7 86.335 4.469 29.208 1.00 0.00 C ATOM 95 O LYS A 7 85.315 4.868 29.734 1.00 0.00 O ATOM 96 CB LYS A 7 87.681 5.982 27.737 1.00 0.00 C ATOM 97 CG LYS A 7 86.488 6.917 27.518 1.00 0.00 C ATOM 98 CD LYS A 7 86.579 7.553 26.130 1.00 0.00 C ATOM 99 CE LYS A 7 85.372 8.467 25.911 1.00 0.00 C ATOM 100 NZ LYS A 7 85.386 8.985 24.514 1.00 0.00 N ATOM 0 H LYS A 7 89.434 4.422 28.595 1.00 0.00 H new ATOM 0 HA LYS A 7 87.531 6.138 29.876 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.614 6.538 27.643 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.693 5.206 26.972 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.555 6.361 27.613 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.476 7.693 28.284 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.503 8.124 26.039 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.606 6.778 25.364 1.00 0.00 H new ATOM 0 HE2 LYS A 7 84.449 7.918 26.097 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.398 9.296 26.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.565 9.606 24.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.261 9.523 24.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.341 8.188 23.848 1.00 0.00 H new ATOM 114 N ALA A 8 86.408 3.276 28.688 1.00 0.00 N ATOM 115 CA ALA A 8 85.229 2.367 28.728 1.00 0.00 C ATOM 116 C ALA A 8 84.824 2.122 30.183 1.00 0.00 C ATOM 117 O ALA A 8 83.657 2.008 30.501 1.00 0.00 O ATOM 118 CB ALA A 8 85.594 1.035 28.070 1.00 0.00 C ATOM 0 H ALA A 8 87.237 2.890 28.235 1.00 0.00 H new ATOM 0 HA ALA A 8 84.397 2.824 28.191 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.733 0.367 28.098 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.885 1.209 27.034 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.424 0.579 28.609 1.00 0.00 H new ATOM 124 N GLN A 9 85.777 2.041 31.070 1.00 0.00 N ATOM 125 CA GLN A 9 85.441 1.804 32.502 1.00 0.00 C ATOM 126 C GLN A 9 84.556 2.946 33.010 1.00 0.00 C ATOM 127 O GLN A 9 83.622 2.738 33.760 1.00 0.00 O ATOM 128 CB GLN A 9 86.734 1.757 33.323 1.00 0.00 C ATOM 129 CG GLN A 9 87.507 0.482 32.984 1.00 0.00 C ATOM 130 CD GLN A 9 88.814 0.442 33.778 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.558 1.512 33.843 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 89.165 -0.577 34.340 1.00 0.00 N flip ATOM 0 H GLN A 9 86.772 2.129 30.866 1.00 0.00 H new ATOM 0 HA GLN A 9 84.909 0.858 32.603 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.345 2.634 33.109 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.502 1.782 34.388 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.902 -0.394 33.218 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.719 0.447 31.915 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.584 -1.414 34.289 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.041 -0.596 34.862 1.00 0.00 H new ATOM 141 N GLU A 10 84.851 4.151 32.611 1.00 0.00 N ATOM 142 CA GLU A 10 84.043 5.318 33.068 1.00 0.00 C ATOM 143 C GLU A 10 82.581 5.155 32.634 1.00 0.00 C ATOM 144 O GLU A 10 81.669 5.486 33.365 1.00 0.00 O ATOM 145 CB GLU A 10 84.615 6.598 32.455 1.00 0.00 C ATOM 146 CG GLU A 10 85.981 6.893 33.078 1.00 0.00 C ATOM 147 CD GLU A 10 86.557 8.173 32.468 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.988 8.652 31.501 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.558 8.649 32.977 1.00 0.00 O ATOM 0 H GLU A 10 85.622 4.380 31.984 1.00 0.00 H new ATOM 0 HA GLU A 10 84.084 5.376 34.156 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.712 6.485 31.375 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.936 7.433 32.629 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.883 7.005 34.158 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.659 6.058 32.904 1.00 0.00 H new ATOM 156 N GLU A 11 82.351 4.670 31.442 1.00 0.00 N ATOM 157 CA GLU A 11 80.946 4.510 30.949 1.00 0.00 C ATOM 158 C GLU A 11 80.432 3.099 31.247 1.00 0.00 C ATOM 159 O GLU A 11 79.335 2.741 30.869 1.00 0.00 O ATOM 160 CB GLU A 11 80.910 4.751 29.438 1.00 0.00 C ATOM 161 CG GLU A 11 81.159 6.233 29.153 1.00 0.00 C ATOM 162 CD GLU A 11 81.238 6.458 27.642 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.936 5.532 26.908 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.605 7.551 27.244 1.00 0.00 O ATOM 0 H GLU A 11 83.075 4.377 30.786 1.00 0.00 H new ATOM 0 HA GLU A 11 80.309 5.233 31.459 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.667 4.142 28.944 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.944 4.449 29.034 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.357 6.836 29.579 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.086 6.554 29.628 1.00 0.00 H new ATOM 171 N CYS A 12 81.205 2.293 31.922 1.00 0.00 N ATOM 172 CA CYS A 12 80.736 0.911 32.236 1.00 0.00 C ATOM 173 C CYS A 12 79.323 0.980 32.822 1.00 0.00 C ATOM 174 O CYS A 12 78.460 0.193 32.488 1.00 0.00 O ATOM 175 CB CYS A 12 81.678 0.270 33.256 1.00 0.00 C ATOM 176 SG CYS A 12 81.147 -1.428 33.589 1.00 0.00 S ATOM 0 H CYS A 12 82.135 2.528 32.268 1.00 0.00 H new ATOM 0 HA CYS A 12 80.728 0.312 31.325 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.700 0.274 32.876 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.679 0.849 34.179 1.00 0.00 H new ATOM 181 N GLU A 13 79.080 1.926 33.687 1.00 0.00 N ATOM 182 CA GLU A 13 77.725 2.061 34.292 1.00 0.00 C ATOM 183 C GLU A 13 76.699 2.304 33.181 1.00 0.00 C ATOM 184 O GLU A 13 75.600 1.788 33.211 1.00 0.00 O ATOM 185 CB GLU A 13 77.720 3.246 35.262 1.00 0.00 C ATOM 186 CG GLU A 13 76.363 3.334 35.963 1.00 0.00 C ATOM 187 CD GLU A 13 76.365 4.519 36.930 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.426 5.085 37.140 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.308 4.837 37.447 1.00 0.00 O ATOM 0 H GLU A 13 79.764 2.614 34.002 1.00 0.00 H new ATOM 0 HA GLU A 13 77.469 1.149 34.831 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.514 3.128 35.999 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.922 4.171 34.722 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.568 3.453 35.227 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.160 2.410 36.504 1.00 0.00 H new ATOM 196 N LYS A 14 77.052 3.098 32.208 1.00 0.00 N ATOM 197 CA LYS A 14 76.106 3.394 31.095 1.00 0.00 C ATOM 198 C LYS A 14 75.750 2.098 30.364 1.00 0.00 C ATOM 199 O LYS A 14 74.619 1.887 29.975 1.00 0.00 O ATOM 200 CB LYS A 14 76.766 4.379 30.123 1.00 0.00 C ATOM 201 CG LYS A 14 75.800 4.718 28.983 1.00 0.00 C ATOM 202 CD LYS A 14 76.461 5.726 28.040 1.00 0.00 C ATOM 203 CE LYS A 14 75.499 6.066 26.900 1.00 0.00 C ATOM 204 NZ LYS A 14 76.037 7.219 26.124 1.00 0.00 N ATOM 0 H LYS A 14 77.960 3.557 32.136 1.00 0.00 H new ATOM 0 HA LYS A 14 75.193 3.836 31.495 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.051 5.289 30.652 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.681 3.946 29.719 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.533 3.813 28.437 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.876 5.132 29.386 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.728 6.630 28.587 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.386 5.312 27.638 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.372 5.202 26.247 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.515 6.311 27.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.384 7.451 25.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.137 8.043 26.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.967 6.969 25.730 1.00 0.00 H new ATOM 218 N TYR A 15 76.705 1.230 30.164 1.00 0.00 N ATOM 219 CA TYR A 15 76.415 -0.046 29.447 1.00 0.00 C ATOM 220 C TYR A 15 75.937 -1.100 30.452 1.00 0.00 C ATOM 221 O TYR A 15 75.381 -2.114 30.082 1.00 0.00 O ATOM 222 CB TYR A 15 77.683 -0.526 28.739 1.00 0.00 C ATOM 223 CG TYR A 15 77.987 0.415 27.597 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.389 0.212 26.348 1.00 0.00 C ATOM 225 CD2 TYR A 15 78.853 1.500 27.791 1.00 0.00 C ATOM 226 CE1 TYR A 15 77.658 1.089 25.292 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.120 2.379 26.734 1.00 0.00 C ATOM 228 CZ TYR A 15 78.523 2.174 25.484 1.00 0.00 C ATOM 229 OH TYR A 15 78.786 3.041 24.443 1.00 0.00 O ATOM 0 H TYR A 15 77.672 1.349 30.465 1.00 0.00 H new ATOM 0 HA TYR A 15 75.632 0.115 28.706 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.519 -0.554 29.438 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.546 -1.541 28.366 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.719 -0.622 26.199 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.314 1.658 28.755 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.198 0.929 24.328 1.00 0.00 H new ATOM 0 HE2 TYR A 15 79.787 3.215 26.883 1.00 0.00 H new ATOM 0 HH TYR A 15 78.555 2.611 23.593 1.00 0.00 H new ATOM 239 N HIS A 16 76.131 -0.854 31.720 1.00 0.00 N ATOM 240 CA HIS A 16 75.666 -1.822 32.759 1.00 0.00 C ATOM 241 C HIS A 16 76.302 -3.197 32.536 1.00 0.00 C ATOM 242 O HIS A 16 77.490 -3.317 32.310 1.00 0.00 O ATOM 243 CB HIS A 16 74.140 -1.945 32.699 1.00 0.00 C ATOM 244 CG HIS A 16 73.529 -0.572 32.660 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.557 0.282 33.754 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.872 0.112 31.667 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.935 1.421 33.396 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.500 1.366 32.136 1.00 0.00 N ATOM 0 H HIS A 16 76.594 -0.021 32.084 1.00 0.00 H new ATOM 0 HA HIS A 16 75.966 -1.454 33.740 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.844 -2.512 31.816 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.774 -2.493 33.567 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.675 -0.266 30.675 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.804 2.273 34.047 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.999 2.092 31.624 1.00 0.00 H new ATOM 257 N SER A 17 75.514 -4.238 32.617 1.00 0.00 N ATOM 258 CA SER A 17 76.053 -5.617 32.431 1.00 0.00 C ATOM 259 C SER A 17 76.072 -5.980 30.945 1.00 0.00 C ATOM 260 O SER A 17 76.475 -7.064 30.571 1.00 0.00 O ATOM 261 CB SER A 17 75.161 -6.611 33.175 1.00 0.00 C ATOM 262 OG SER A 17 75.761 -7.899 33.138 1.00 0.00 O ATOM 0 H SER A 17 74.513 -4.190 32.806 1.00 0.00 H new ATOM 0 HA SER A 17 77.069 -5.657 32.823 1.00 0.00 H new ATOM 0 HB2 SER A 17 75.023 -6.291 34.208 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.173 -6.644 32.717 1.00 0.00 H new ATOM 0 HG SER A 17 76.191 -8.035 32.268 1.00 0.00 H new ATOM 268 N ASN A 18 75.639 -5.093 30.092 1.00 0.00 N ATOM 269 CA ASN A 18 75.634 -5.412 28.635 1.00 0.00 C ATOM 270 C ASN A 18 77.042 -5.226 28.072 1.00 0.00 C ATOM 271 O ASN A 18 77.329 -4.257 27.398 1.00 0.00 O ATOM 272 CB ASN A 18 74.677 -4.465 27.910 1.00 0.00 C ATOM 273 CG ASN A 18 73.235 -4.801 28.288 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.947 -5.899 28.722 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.312 -3.892 28.142 1.00 0.00 N ATOM 0 H ASN A 18 75.290 -4.167 30.338 1.00 0.00 H new ATOM 0 HA ASN A 18 75.311 -6.443 28.490 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.901 -3.432 28.176 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.810 -4.553 26.832 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.346 -4.102 28.392 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.556 -2.971 27.778 1.00 0.00 H new ATOM 282 N TRP A 19 77.925 -6.147 28.346 1.00 0.00 N ATOM 283 CA TRP A 19 79.314 -6.022 27.828 1.00 0.00 C ATOM 284 C TRP A 19 79.321 -6.227 26.312 1.00 0.00 C ATOM 285 O TRP A 19 80.177 -5.725 25.611 1.00 0.00 O ATOM 286 CB TRP A 19 80.209 -7.074 28.488 1.00 0.00 C ATOM 287 CG TRP A 19 79.711 -8.449 28.169 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.812 -9.142 28.906 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.070 -9.311 27.047 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.603 -10.375 28.313 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.355 -10.526 27.165 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.940 -9.158 25.951 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.499 -11.553 26.230 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.086 -10.189 25.009 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.367 -11.384 25.149 1.00 0.00 C ATOM 0 H TRP A 19 77.743 -6.980 28.906 1.00 0.00 H new ATOM 0 HA TRP A 19 79.693 -5.027 28.061 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.235 -6.961 28.138 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.222 -6.925 29.568 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.336 -8.790 29.809 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.970 -11.086 28.680 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.499 -8.241 25.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.943 -12.472 26.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.756 -10.060 24.172 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.484 -12.174 24.421 1.00 0.00 H new ATOM 306 N ARG A 20 78.378 -6.968 25.799 1.00 0.00 N ATOM 307 CA ARG A 20 78.341 -7.212 24.329 1.00 0.00 C ATOM 308 C ARG A 20 78.205 -5.884 23.585 1.00 0.00 C ATOM 309 O ARG A 20 78.830 -5.667 22.564 1.00 0.00 O ATOM 310 CB ARG A 20 77.141 -8.098 23.992 1.00 0.00 C ATOM 311 CG ARG A 20 77.381 -9.514 24.518 1.00 0.00 C ATOM 312 CD ARG A 20 76.175 -10.392 24.176 1.00 0.00 C ATOM 313 NE ARG A 20 76.356 -11.747 24.767 1.00 0.00 N ATOM 314 CZ ARG A 20 75.333 -12.549 24.878 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.157 -12.166 24.463 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.486 -13.734 25.403 1.00 0.00 N ATOM 0 H ARG A 20 77.632 -7.415 26.333 1.00 0.00 H new ATOM 0 HA ARG A 20 79.264 -7.705 24.025 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.235 -7.684 24.435 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.986 -8.122 22.913 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.286 -9.930 24.075 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.535 -9.492 25.597 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.262 -9.937 24.559 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.064 -10.468 23.094 1.00 0.00 H new ATOM 0 HE ARG A 20 77.278 -12.047 25.084 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.038 -11.240 24.052 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.357 -12.792 24.549 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.406 -14.033 25.727 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.686 -14.361 25.490 1.00 0.00 H new ATOM 330 N ALA A 21 77.392 -4.994 24.080 1.00 0.00 N ATOM 331 CA ALA A 21 77.219 -3.686 23.390 1.00 0.00 C ATOM 332 C ALA A 21 78.511 -2.876 23.504 1.00 0.00 C ATOM 333 O ALA A 21 78.938 -2.236 22.565 1.00 0.00 O ATOM 334 CB ALA A 21 76.068 -2.913 24.040 1.00 0.00 C ATOM 0 H ALA A 21 76.841 -5.115 24.930 1.00 0.00 H new ATOM 0 HA ALA A 21 76.990 -3.857 22.338 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.942 -1.956 23.535 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.148 -3.492 23.956 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.294 -2.741 25.092 1.00 0.00 H new ATOM 340 N MET A 22 79.140 -2.900 24.648 1.00 0.00 N ATOM 341 CA MET A 22 80.404 -2.131 24.816 1.00 0.00 C ATOM 342 C MET A 22 81.476 -2.685 23.874 1.00 0.00 C ATOM 343 O MET A 22 82.228 -1.945 23.274 1.00 0.00 O ATOM 344 CB MET A 22 80.880 -2.238 26.267 1.00 0.00 C ATOM 345 CG MET A 22 82.174 -1.440 26.440 1.00 0.00 C ATOM 346 SD MET A 22 82.559 -1.288 28.202 1.00 0.00 S ATOM 347 CE MET A 22 82.679 -3.056 28.569 1.00 0.00 C ATOM 0 H MET A 22 78.833 -3.418 25.471 1.00 0.00 H new ATOM 0 HA MET A 22 80.225 -1.084 24.573 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.113 -1.858 26.941 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.046 -3.283 26.530 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.993 -1.937 25.920 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.066 -0.451 25.994 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.290 -3.202 29.460 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.682 -3.460 28.743 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.138 -3.572 27.726 1.00 0.00 H new ATOM 357 N ALA A 23 81.554 -3.981 23.731 1.00 0.00 N ATOM 358 CA ALA A 23 82.581 -4.561 22.820 1.00 0.00 C ATOM 359 C ALA A 23 82.372 -4.008 21.408 1.00 0.00 C ATOM 360 O ALA A 23 83.312 -3.699 20.702 1.00 0.00 O ATOM 361 CB ALA A 23 82.436 -6.084 22.793 1.00 0.00 C ATOM 0 H ALA A 23 80.955 -4.659 24.202 1.00 0.00 H new ATOM 0 HA ALA A 23 83.577 -4.296 23.176 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.187 -6.509 22.127 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.577 -6.481 23.798 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.441 -6.348 22.434 1.00 0.00 H new ATOM 367 N SER A 24 81.140 -3.885 20.994 1.00 0.00 N ATOM 368 CA SER A 24 80.848 -3.358 19.631 1.00 0.00 C ATOM 369 C SER A 24 81.296 -1.898 19.523 1.00 0.00 C ATOM 370 O SER A 24 81.819 -1.474 18.511 1.00 0.00 O ATOM 371 CB SER A 24 79.347 -3.455 19.359 1.00 0.00 C ATOM 372 OG SER A 24 78.977 -4.825 19.270 1.00 0.00 O ATOM 0 H SER A 24 80.318 -4.129 21.546 1.00 0.00 H new ATOM 0 HA SER A 24 81.393 -3.950 18.896 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.788 -2.966 20.157 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.099 -2.938 18.432 1.00 0.00 H new ATOM 0 HG SER A 24 78.015 -4.893 19.097 1.00 0.00 H new ATOM 378 N ASP A 25 81.083 -1.121 20.549 1.00 0.00 N ATOM 379 CA ASP A 25 81.485 0.314 20.491 1.00 0.00 C ATOM 380 C ASP A 25 83.007 0.430 20.473 1.00 0.00 C ATOM 381 O ASP A 25 83.567 1.245 19.767 1.00 0.00 O ATOM 382 CB ASP A 25 80.942 1.044 21.720 1.00 0.00 C ATOM 383 CG ASP A 25 79.423 1.168 21.612 1.00 0.00 C ATOM 384 OD1 ASP A 25 78.929 1.211 20.498 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.779 1.218 22.645 1.00 0.00 O ATOM 0 H ASP A 25 80.649 -1.416 21.424 1.00 0.00 H new ATOM 0 HA ASP A 25 81.078 0.760 19.584 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.209 0.500 22.626 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.393 2.033 21.797 1.00 0.00 H new ATOM 390 N PHE A 26 83.683 -0.378 21.241 1.00 0.00 N ATOM 391 CA PHE A 26 85.176 -0.321 21.272 1.00 0.00 C ATOM 392 C PHE A 26 85.755 -1.389 20.335 1.00 0.00 C ATOM 393 O PHE A 26 86.953 -1.493 20.163 1.00 0.00 O ATOM 394 CB PHE A 26 85.654 -0.556 22.706 1.00 0.00 C ATOM 395 CG PHE A 26 85.310 0.654 23.548 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.057 0.750 24.167 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.248 1.681 23.707 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.743 1.873 24.944 1.00 0.00 C ATOM 399 CE2 PHE A 26 85.934 2.803 24.484 1.00 0.00 C ATOM 400 CZ PHE A 26 84.682 2.899 25.102 1.00 0.00 C ATOM 0 H PHE A 26 83.266 -1.080 21.852 1.00 0.00 H new ATOM 0 HA PHE A 26 85.517 0.658 20.935 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.182 -1.448 23.118 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.730 -0.730 22.720 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.333 -0.042 24.045 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.214 1.608 23.230 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.777 1.947 25.421 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.658 3.595 24.606 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.440 3.765 25.701 1.00 0.00 H new ATOM 410 N ASN A 27 84.912 -2.169 19.712 1.00 0.00 N ATOM 411 CA ASN A 27 85.407 -3.216 18.767 1.00 0.00 C ATOM 412 C ASN A 27 86.489 -4.068 19.431 1.00 0.00 C ATOM 413 O ASN A 27 87.533 -4.307 18.857 1.00 0.00 O ATOM 414 CB ASN A 27 85.995 -2.544 17.526 1.00 0.00 C ATOM 415 CG ASN A 27 84.882 -1.846 16.745 1.00 0.00 C ATOM 416 OD1 ASN A 27 83.725 -2.433 16.617 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.069 -0.754 16.246 1.00 0.00 N flip ATOM 0 H ASN A 27 83.898 -2.127 19.816 1.00 0.00 H new ATOM 0 HA ASN A 27 84.571 -3.856 18.487 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.757 -1.821 17.818 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.485 -3.286 16.896 1.00 0.00 H new ATOM 0 HD21 ASN A 27 85.975 -0.296 16.347 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.320 -0.296 15.726 1.00 0.00 H new ATOM 424 N LEU A 28 86.248 -4.531 20.631 1.00 0.00 N ATOM 425 CA LEU A 28 87.262 -5.378 21.343 1.00 0.00 C ATOM 426 C LEU A 28 86.697 -6.792 21.524 1.00 0.00 C ATOM 427 O LEU A 28 85.498 -6.972 21.614 1.00 0.00 O ATOM 428 CB LEU A 28 87.537 -4.767 22.719 1.00 0.00 C ATOM 429 CG LEU A 28 88.361 -3.475 22.566 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.229 -2.624 23.835 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.848 -3.811 22.332 1.00 0.00 C ATOM 0 H LEU A 28 85.389 -4.360 21.154 1.00 0.00 H new ATOM 0 HA LEU A 28 88.184 -5.422 20.764 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.596 -4.550 23.225 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.076 -5.481 23.342 1.00 0.00 H new ATOM 0 HG LEU A 28 87.981 -2.920 21.708 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.813 -1.711 23.723 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.182 -2.367 23.994 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.598 -3.188 24.691 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.417 -2.888 22.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.231 -4.378 23.181 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.948 -4.405 21.424 1.00 0.00 H new ATOM 443 N PRO A 29 87.543 -7.796 21.579 1.00 0.00 N ATOM 444 CA PRO A 29 87.084 -9.204 21.753 1.00 0.00 C ATOM 445 C PRO A 29 86.525 -9.446 23.169 1.00 0.00 C ATOM 446 O PRO A 29 86.964 -8.827 24.118 1.00 0.00 O ATOM 447 CB PRO A 29 88.355 -10.035 21.513 1.00 0.00 C ATOM 448 CG PRO A 29 89.481 -9.119 21.866 1.00 0.00 C ATOM 449 CD PRO A 29 89.014 -7.712 21.484 1.00 0.00 C ATOM 0 HA PRO A 29 86.272 -9.464 21.074 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.365 -10.931 22.133 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.423 -10.364 20.476 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.714 -9.178 22.929 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.388 -9.389 21.326 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.417 -6.958 22.161 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.336 -7.442 20.478 1.00 0.00 H new ATOM 457 N PRO A 30 85.574 -10.339 23.320 1.00 0.00 N ATOM 458 CA PRO A 30 84.979 -10.645 24.650 1.00 0.00 C ATOM 459 C PRO A 30 86.034 -10.711 25.766 1.00 0.00 C ATOM 460 O PRO A 30 85.725 -10.564 26.933 1.00 0.00 O ATOM 461 CB PRO A 30 84.330 -12.020 24.445 1.00 0.00 C ATOM 462 CG PRO A 30 83.987 -12.088 22.986 1.00 0.00 C ATOM 463 CD PRO A 30 84.959 -11.150 22.250 1.00 0.00 C ATOM 0 HA PRO A 30 84.280 -9.871 24.967 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.013 -12.822 24.725 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.439 -12.129 25.063 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.081 -13.109 22.615 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.954 -11.782 22.818 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.711 -11.713 21.697 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.435 -10.523 21.528 1.00 0.00 H new ATOM 471 N VAL A 31 87.270 -10.959 25.421 1.00 0.00 N ATOM 472 CA VAL A 31 88.327 -11.064 26.471 1.00 0.00 C ATOM 473 C VAL A 31 88.425 -9.752 27.250 1.00 0.00 C ATOM 474 O VAL A 31 88.361 -9.733 28.463 1.00 0.00 O ATOM 475 CB VAL A 31 89.680 -11.348 25.804 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.810 -11.272 26.844 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.658 -12.743 25.174 1.00 0.00 C ATOM 0 H VAL A 31 87.593 -11.093 24.463 1.00 0.00 H new ATOM 0 HA VAL A 31 88.068 -11.873 27.154 1.00 0.00 H new ATOM 0 HB VAL A 31 89.858 -10.600 25.031 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.765 -11.475 26.359 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.832 -10.276 27.285 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.635 -12.011 27.626 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.619 -12.944 24.701 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.472 -13.488 25.947 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.868 -12.792 24.425 1.00 0.00 H new ATOM 487 N VAL A 32 88.587 -8.657 26.566 1.00 0.00 N ATOM 488 CA VAL A 32 88.696 -7.351 27.270 1.00 0.00 C ATOM 489 C VAL A 32 87.327 -6.933 27.807 1.00 0.00 C ATOM 490 O VAL A 32 87.212 -6.403 28.893 1.00 0.00 O ATOM 491 CB VAL A 32 89.214 -6.291 26.298 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.151 -4.908 26.955 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.661 -6.611 25.912 1.00 0.00 C ATOM 0 H VAL A 32 88.649 -8.609 25.549 1.00 0.00 H new ATOM 0 HA VAL A 32 89.390 -7.449 28.105 1.00 0.00 H new ATOM 0 HB VAL A 32 88.592 -6.291 25.403 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.521 -4.157 26.258 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.119 -4.678 27.221 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.767 -4.904 27.854 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.029 -5.854 25.219 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.284 -6.617 26.807 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.702 -7.590 25.435 1.00 0.00 H new ATOM 503 N ALA A 33 86.287 -7.151 27.050 1.00 0.00 N ATOM 504 CA ALA A 33 84.936 -6.743 27.520 1.00 0.00 C ATOM 505 C ALA A 33 84.611 -7.473 28.823 1.00 0.00 C ATOM 506 O ALA A 33 84.260 -6.863 29.814 1.00 0.00 O ATOM 507 CB ALA A 33 83.903 -7.101 26.451 1.00 0.00 C ATOM 0 H ALA A 33 86.315 -7.592 26.131 1.00 0.00 H new ATOM 0 HA ALA A 33 84.914 -5.668 27.697 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.911 -6.804 26.790 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.142 -6.578 25.525 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.920 -8.177 26.275 1.00 0.00 H new ATOM 513 N LYS A 34 84.745 -8.767 28.844 1.00 0.00 N ATOM 514 CA LYS A 34 84.467 -9.515 30.101 1.00 0.00 C ATOM 515 C LYS A 34 85.404 -9.026 31.208 1.00 0.00 C ATOM 516 O LYS A 34 85.016 -8.892 32.352 1.00 0.00 O ATOM 517 CB LYS A 34 84.668 -11.017 29.881 1.00 0.00 C ATOM 518 CG LYS A 34 83.548 -11.566 28.991 1.00 0.00 C ATOM 519 CD LYS A 34 83.759 -13.068 28.777 1.00 0.00 C ATOM 520 CE LYS A 34 82.640 -13.628 27.895 1.00 0.00 C ATOM 521 NZ LYS A 34 82.915 -15.063 27.599 1.00 0.00 N ATOM 0 H LYS A 34 85.034 -9.338 28.050 1.00 0.00 H new ATOM 0 HA LYS A 34 83.432 -9.338 30.395 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.637 -11.199 29.416 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.671 -11.537 30.839 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.578 -11.386 29.455 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.543 -11.048 28.032 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.727 -13.246 28.309 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.770 -13.584 29.737 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.679 -13.527 28.399 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.574 -13.060 26.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.156 -15.446 27.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.824 -15.147 27.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.957 -15.599 28.489 1.00 0.00 H new ATOM 535 N GLU A 35 86.641 -8.776 30.878 1.00 0.00 N ATOM 536 CA GLU A 35 87.617 -8.316 31.909 1.00 0.00 C ATOM 537 C GLU A 35 87.186 -6.977 32.505 1.00 0.00 C ATOM 538 O GLU A 35 87.314 -6.751 33.692 1.00 0.00 O ATOM 539 CB GLU A 35 88.994 -8.142 31.271 1.00 0.00 C ATOM 540 CG GLU A 35 90.043 -7.876 32.362 1.00 0.00 C ATOM 541 CD GLU A 35 89.983 -6.410 32.810 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.511 -5.588 32.042 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.410 -6.135 33.919 1.00 0.00 O ATOM 0 H GLU A 35 87.020 -8.870 29.936 1.00 0.00 H new ATOM 0 HA GLU A 35 87.655 -9.066 32.699 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.260 -9.037 30.708 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.975 -7.314 30.562 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.866 -8.532 33.214 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.039 -8.108 31.983 1.00 0.00 H new ATOM 550 N ILE A 36 86.686 -6.080 31.703 1.00 0.00 N ATOM 551 CA ILE A 36 86.270 -4.766 32.259 1.00 0.00 C ATOM 552 C ILE A 36 85.191 -5.020 33.307 1.00 0.00 C ATOM 553 O ILE A 36 85.181 -4.422 34.366 1.00 0.00 O ATOM 554 CB ILE A 36 85.727 -3.881 31.133 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.887 -3.476 30.218 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.086 -2.623 31.726 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.334 -2.868 28.928 1.00 0.00 C ATOM 0 H ILE A 36 86.549 -6.198 30.699 1.00 0.00 H new ATOM 0 HA ILE A 36 87.117 -4.254 32.716 1.00 0.00 H new ATOM 0 HB ILE A 36 84.977 -4.431 30.565 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.529 -2.756 30.725 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.503 -4.346 29.988 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.701 -1.997 30.921 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.267 -2.909 32.387 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.833 -2.067 32.293 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.160 -2.580 28.278 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.710 -3.602 28.418 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.737 -1.988 29.167 1.00 0.00 H new ATOM 569 N VAL A 37 84.305 -5.933 33.035 1.00 0.00 N ATOM 570 CA VAL A 37 83.251 -6.269 34.025 1.00 0.00 C ATOM 571 C VAL A 37 83.932 -6.948 35.216 1.00 0.00 C ATOM 572 O VAL A 37 83.597 -6.723 36.362 1.00 0.00 O ATOM 573 CB VAL A 37 82.249 -7.234 33.383 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.301 -7.786 34.449 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.445 -6.496 32.309 1.00 0.00 C ATOM 0 H VAL A 37 84.266 -6.463 32.165 1.00 0.00 H new ATOM 0 HA VAL A 37 82.722 -5.374 34.350 1.00 0.00 H new ATOM 0 HB VAL A 37 82.790 -8.062 32.926 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.591 -8.471 33.985 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.876 -8.317 35.207 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.759 -6.963 34.915 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.732 -7.182 31.852 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.907 -5.664 32.764 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.123 -6.115 31.545 1.00 0.00 H new ATOM 585 N ALA A 38 84.889 -7.789 34.930 1.00 0.00 N ATOM 586 CA ALA A 38 85.623 -8.519 36.003 1.00 0.00 C ATOM 587 C ALA A 38 86.364 -7.534 36.922 1.00 0.00 C ATOM 588 O ALA A 38 86.736 -7.872 38.028 1.00 0.00 O ATOM 589 CB ALA A 38 86.631 -9.477 35.351 1.00 0.00 C ATOM 0 H ALA A 38 85.198 -8.004 33.982 1.00 0.00 H new ATOM 0 HA ALA A 38 84.909 -9.079 36.607 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.174 -10.017 36.127 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.100 -10.188 34.718 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.335 -8.907 34.745 1.00 0.00 H new ATOM 595 N SER A 39 86.602 -6.328 36.471 1.00 0.00 N ATOM 596 CA SER A 39 87.341 -5.343 37.325 1.00 0.00 C ATOM 597 C SER A 39 86.344 -4.461 38.076 1.00 0.00 C ATOM 598 O SER A 39 86.571 -4.078 39.206 1.00 0.00 O ATOM 599 CB SER A 39 88.217 -4.462 36.433 1.00 0.00 C ATOM 600 OG SER A 39 89.167 -5.276 35.757 1.00 0.00 O ATOM 0 H SER A 39 86.319 -5.982 35.554 1.00 0.00 H new ATOM 0 HA SER A 39 87.962 -5.880 38.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.599 -3.928 35.711 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.728 -3.710 37.034 1.00 0.00 H new ATOM 0 HG SER A 39 89.227 -4.998 34.819 1.00 0.00 H new ATOM 606 N CYS A 40 85.239 -4.143 37.465 1.00 0.00 N ATOM 607 CA CYS A 40 84.229 -3.295 38.156 1.00 0.00 C ATOM 608 C CYS A 40 83.769 -4.009 39.430 1.00 0.00 C ATOM 609 O CYS A 40 83.479 -5.189 39.420 1.00 0.00 O ATOM 610 CB CYS A 40 83.039 -3.067 37.222 1.00 0.00 C ATOM 611 SG CYS A 40 82.068 -1.657 37.810 1.00 0.00 S ATOM 0 H CYS A 40 84.991 -4.433 36.519 1.00 0.00 H new ATOM 0 HA CYS A 40 84.664 -2.331 38.420 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.391 -2.882 36.207 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.416 -3.961 37.185 1.00 0.00 H new ATOM 616 N ASP A 41 83.708 -3.309 40.529 1.00 0.00 N ATOM 617 CA ASP A 41 83.278 -3.957 41.801 1.00 0.00 C ATOM 618 C ASP A 41 81.754 -4.119 41.832 1.00 0.00 C ATOM 619 O ASP A 41 81.232 -5.004 42.480 1.00 0.00 O ATOM 620 CB ASP A 41 83.725 -3.090 42.984 1.00 0.00 C ATOM 621 CG ASP A 41 85.244 -3.196 43.155 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.811 -4.158 42.664 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.813 -2.315 43.778 1.00 0.00 O ATOM 0 H ASP A 41 83.937 -2.318 40.602 1.00 0.00 H new ATOM 0 HA ASP A 41 83.735 -4.944 41.869 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.440 -2.052 42.815 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.223 -3.414 43.896 1.00 0.00 H new ATOM 628 N LYS A 42 81.033 -3.270 41.153 1.00 0.00 N ATOM 629 CA LYS A 42 79.543 -3.381 41.168 1.00 0.00 C ATOM 630 C LYS A 42 79.070 -4.518 40.251 1.00 0.00 C ATOM 631 O LYS A 42 78.180 -5.270 40.594 1.00 0.00 O ATOM 632 CB LYS A 42 78.939 -2.060 40.688 1.00 0.00 C ATOM 633 CG LYS A 42 79.184 -0.981 41.744 1.00 0.00 C ATOM 634 CD LYS A 42 78.584 0.345 41.275 1.00 0.00 C ATOM 635 CE LYS A 42 78.888 1.430 42.309 1.00 0.00 C ATOM 636 NZ LYS A 42 80.342 1.756 42.265 1.00 0.00 N ATOM 0 H LYS A 42 81.407 -2.506 40.590 1.00 0.00 H new ATOM 0 HA LYS A 42 79.218 -3.599 42.185 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.387 -1.765 39.739 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.870 -2.178 40.513 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.737 -1.278 42.692 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.254 -0.866 41.919 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.999 0.623 40.306 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.507 0.244 41.143 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.297 2.322 42.102 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.610 1.087 43.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.504 2.683 42.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.877 1.028 42.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.661 1.786 41.276 1.00 0.00 H new ATOM 650 N CYS A 43 79.640 -4.635 39.080 1.00 0.00 N ATOM 651 CA CYS A 43 79.203 -5.706 38.131 1.00 0.00 C ATOM 652 C CYS A 43 79.934 -7.024 38.416 1.00 0.00 C ATOM 653 O CYS A 43 79.735 -8.007 37.730 1.00 0.00 O ATOM 654 CB CYS A 43 79.490 -5.262 36.695 1.00 0.00 C ATOM 655 SG CYS A 43 78.716 -3.652 36.398 1.00 0.00 S ATOM 0 H CYS A 43 80.391 -4.035 38.738 1.00 0.00 H new ATOM 0 HA CYS A 43 78.134 -5.870 38.263 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.566 -5.197 36.531 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.104 -5.999 35.991 1.00 0.00 H new ATOM 660 N GLN A 44 80.781 -7.059 39.407 1.00 0.00 N ATOM 661 CA GLN A 44 81.517 -8.324 39.702 1.00 0.00 C ATOM 662 C GLN A 44 80.519 -9.419 40.096 1.00 0.00 C ATOM 663 O GLN A 44 80.549 -10.516 39.574 1.00 0.00 O ATOM 664 CB GLN A 44 82.498 -8.078 40.857 1.00 0.00 C ATOM 665 CG GLN A 44 83.316 -9.343 41.142 1.00 0.00 C ATOM 666 CD GLN A 44 84.219 -9.646 39.946 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.310 -10.776 39.508 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.898 -8.677 39.396 1.00 0.00 N ATOM 0 H GLN A 44 80.996 -6.274 40.022 1.00 0.00 H new ATOM 0 HA GLN A 44 82.067 -8.644 38.817 1.00 0.00 H new ATOM 0 HB2 GLN A 44 83.166 -7.254 40.606 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.950 -7.783 41.752 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.918 -9.205 42.040 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.650 -10.185 41.331 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.822 -7.728 39.763 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.505 -8.868 38.599 1.00 0.00 H new ATOM 677 N LEU A 45 79.637 -9.131 41.012 1.00 0.00 N ATOM 678 CA LEU A 45 78.635 -10.152 41.444 1.00 0.00 C ATOM 679 C LEU A 45 77.380 -10.036 40.571 1.00 0.00 C ATOM 680 O LEU A 45 76.912 -8.952 40.287 1.00 0.00 O ATOM 681 CB LEU A 45 78.262 -9.901 42.907 1.00 0.00 C ATOM 682 CG LEU A 45 79.524 -9.926 43.779 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.148 -9.564 45.218 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.162 -11.327 43.748 1.00 0.00 C ATOM 0 H LEU A 45 79.565 -8.229 41.483 1.00 0.00 H new ATOM 0 HA LEU A 45 79.059 -11.151 41.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.762 -8.937 43.004 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.559 -10.661 43.248 1.00 0.00 H new ATOM 0 HG LEU A 45 80.243 -9.204 43.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.041 -9.580 45.843 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.708 -8.567 45.239 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.426 -10.287 45.598 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.057 -11.333 44.370 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.450 -12.059 44.129 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.431 -11.582 42.723 1.00 0.00 H new ATOM 696 N LYS A 46 76.827 -11.142 40.148 1.00 0.00 N ATOM 697 CA LYS A 46 75.600 -11.083 39.300 1.00 0.00 C ATOM 698 C LYS A 46 74.383 -10.824 40.189 1.00 0.00 C ATOM 699 O LYS A 46 74.196 -11.468 41.202 1.00 0.00 O ATOM 700 CB LYS A 46 75.421 -12.409 38.556 1.00 0.00 C ATOM 701 CG LYS A 46 74.223 -12.304 37.609 1.00 0.00 C ATOM 702 CD LYS A 46 74.097 -13.595 36.795 1.00 0.00 C ATOM 703 CE LYS A 46 72.949 -13.456 35.793 1.00 0.00 C ATOM 704 NZ LYS A 46 72.985 -14.598 34.835 1.00 0.00 N ATOM 0 H LYS A 46 77.170 -12.081 40.352 1.00 0.00 H new ATOM 0 HA LYS A 46 75.699 -10.277 38.573 1.00 0.00 H new ATOM 0 HB2 LYS A 46 76.323 -12.647 37.993 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.266 -13.220 39.268 1.00 0.00 H new ATOM 0 HG2 LYS A 46 73.310 -12.131 38.179 1.00 0.00 H new ATOM 0 HG3 LYS A 46 74.348 -11.452 36.941 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.030 -13.799 36.269 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.914 -14.440 37.459 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.994 -13.438 36.318 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.035 -12.512 35.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.205 -14.504 34.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.892 -14.595 34.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.883 -15.492 35.357 1.00 0.00 H new ATOM 718 N GLY A 47 73.558 -9.879 39.826 1.00 0.00 N ATOM 719 CA GLY A 47 72.361 -9.577 40.663 1.00 0.00 C ATOM 720 C GLY A 47 72.804 -9.385 42.113 1.00 0.00 C ATOM 721 O GLY A 47 73.845 -8.818 42.381 1.00 0.00 O ATOM 0 H GLY A 47 73.660 -9.305 38.989 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.864 -8.678 40.299 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.639 -10.390 40.594 1.00 0.00 H new ATOM 725 N GLU A 48 72.032 -9.857 43.055 1.00 0.00 N ATOM 726 CA GLU A 48 72.427 -9.701 44.486 1.00 0.00 C ATOM 727 C GLU A 48 73.332 -10.867 44.887 1.00 0.00 C ATOM 728 O GLU A 48 74.499 -10.904 44.554 1.00 0.00 O ATOM 729 CB GLU A 48 71.177 -9.702 45.368 1.00 0.00 C ATOM 730 CG GLU A 48 70.373 -8.426 45.112 1.00 0.00 C ATOM 731 CD GLU A 48 69.124 -8.425 45.993 1.00 0.00 C ATOM 732 OE1 GLU A 48 68.989 -9.332 46.797 1.00 0.00 O ATOM 733 OE2 GLU A 48 68.322 -7.516 45.849 1.00 0.00 O ATOM 0 H GLU A 48 71.149 -10.342 42.897 1.00 0.00 H new ATOM 0 HA GLU A 48 72.959 -8.759 44.616 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.567 -10.579 45.152 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.460 -9.762 46.419 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.984 -7.549 45.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.090 -8.367 44.061 1.00 0.00 H new ATOM 740 N ALA A 49 72.799 -11.821 45.599 1.00 0.00 N ATOM 741 CA ALA A 49 73.624 -12.986 46.021 1.00 0.00 C ATOM 742 C ALA A 49 72.710 -14.079 46.579 1.00 0.00 C ATOM 743 O ALA A 49 71.682 -14.394 46.014 1.00 0.00 O ATOM 744 CB ALA A 49 74.616 -12.545 47.100 1.00 0.00 C ATOM 0 H ALA A 49 71.827 -11.844 45.907 1.00 0.00 H new ATOM 0 HA ALA A 49 74.173 -13.375 45.163 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.220 -13.398 47.409 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.265 -11.766 46.701 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.070 -12.157 47.960 1.00 0.00 H new ATOM 750 N MET A 50 73.080 -14.656 47.688 1.00 0.00 N ATOM 751 CA MET A 50 72.243 -15.727 48.294 1.00 0.00 C ATOM 752 C MET A 50 71.081 -15.092 49.061 1.00 0.00 C ATOM 753 O MET A 50 70.171 -15.766 49.501 1.00 0.00 O ATOM 754 CB MET A 50 73.105 -16.544 49.257 1.00 0.00 C ATOM 755 CG MET A 50 74.151 -17.321 48.459 1.00 0.00 C ATOM 756 SD MET A 50 75.197 -18.268 49.592 1.00 0.00 S ATOM 757 CE MET A 50 76.237 -19.047 48.333 1.00 0.00 C ATOM 0 H MET A 50 73.931 -14.430 48.203 1.00 0.00 H new ATOM 0 HA MET A 50 71.847 -16.375 47.512 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.593 -15.885 49.975 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.481 -17.232 49.828 1.00 0.00 H new ATOM 0 HG2 MET A 50 73.661 -17.992 47.754 1.00 0.00 H new ATOM 0 HG3 MET A 50 74.761 -16.633 47.873 1.00 0.00 H new ATOM 0 HE1 MET A 50 76.972 -19.691 48.816 1.00 0.00 H new ATOM 0 HE2 MET A 50 75.615 -19.643 47.665 1.00 0.00 H new ATOM 0 HE3 MET A 50 76.751 -18.277 47.758 1.00 0.00 H new ATOM 767 N HIS A 51 71.110 -13.797 49.233 1.00 0.00 N ATOM 768 CA HIS A 51 70.016 -13.114 49.982 1.00 0.00 C ATOM 769 C HIS A 51 68.853 -12.808 49.032 1.00 0.00 C ATOM 770 O HIS A 51 68.980 -12.031 48.107 1.00 0.00 O ATOM 771 CB HIS A 51 70.550 -11.807 50.572 1.00 0.00 C ATOM 772 CG HIS A 51 69.534 -11.233 51.520 1.00 0.00 C ATOM 773 ND1 HIS A 51 69.213 -11.851 52.721 1.00 0.00 N ATOM 774 CD2 HIS A 51 68.759 -10.102 51.460 1.00 0.00 C ATOM 775 CE1 HIS A 51 68.281 -11.094 53.329 1.00 0.00 C ATOM 776 NE2 HIS A 51 67.971 -10.019 52.602 1.00 0.00 N ATOM 0 H HIS A 51 71.846 -13.182 48.886 1.00 0.00 H new ATOM 0 HA HIS A 51 69.664 -13.763 50.784 1.00 0.00 H new ATOM 0 HB2 HIS A 51 71.489 -11.988 51.095 1.00 0.00 H new ATOM 0 HB3 HIS A 51 70.762 -11.095 49.774 1.00 0.00 H new ATOM 0 HD2 HIS A 51 68.761 -9.387 50.651 1.00 0.00 H new ATOM 0 HE1 HIS A 51 67.839 -11.328 54.286 1.00 0.00 H new ATOM 0 HE2 HIS A 51 67.297 -9.290 52.835 1.00 0.00 H new ATOM 785 N GLY A 52 67.720 -13.417 49.259 1.00 0.00 N ATOM 786 CA GLY A 52 66.543 -13.171 48.377 1.00 0.00 C ATOM 787 C GLY A 52 65.372 -14.037 48.848 1.00 0.00 C ATOM 788 O GLY A 52 65.421 -14.636 49.904 1.00 0.00 O ATOM 0 H GLY A 52 67.559 -14.077 50.020 1.00 0.00 H new ATOM 0 HA2 GLY A 52 66.266 -12.117 48.405 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.793 -13.407 47.343 1.00 0.00 H new ATOM 792 N GLN A 53 64.319 -14.112 48.078 1.00 0.00 N ATOM 793 CA GLN A 53 63.154 -14.946 48.497 1.00 0.00 C ATOM 794 C GLN A 53 63.431 -16.410 48.147 1.00 0.00 C ATOM 795 O GLN A 53 63.569 -16.770 46.995 1.00 0.00 O ATOM 796 CB GLN A 53 61.897 -14.473 47.763 1.00 0.00 C ATOM 797 CG GLN A 53 61.457 -13.119 48.323 1.00 0.00 C ATOM 798 CD GLN A 53 62.565 -12.088 48.099 1.00 0.00 C ATOM 799 OE1 GLN A 53 62.956 -11.823 46.883 1.00 0.00 O flip ATOM 800 NE2 GLN A 53 63.081 -11.520 49.042 1.00 0.00 N flip ATOM 0 H GLN A 53 64.215 -13.635 47.182 1.00 0.00 H new ATOM 0 HA GLN A 53 63.002 -14.849 49.572 1.00 0.00 H new ATOM 0 HB2 GLN A 53 62.097 -14.389 46.695 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.097 -15.204 47.881 1.00 0.00 H new ATOM 0 HG2 GLN A 53 60.539 -12.793 47.835 1.00 0.00 H new ATOM 0 HG3 GLN A 53 61.238 -13.208 49.387 1.00 0.00 H new ATOM 0 HE21 GLN A 53 62.775 -11.728 49.992 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.820 -10.836 48.883 1.00 0.00 H new ATOM 809 N VAL A 54 63.516 -17.256 49.140 1.00 0.00 N ATOM 810 CA VAL A 54 63.790 -18.704 48.887 1.00 0.00 C ATOM 811 C VAL A 54 63.007 -19.555 49.890 1.00 0.00 C ATOM 812 O VAL A 54 63.055 -19.325 51.081 1.00 0.00 O ATOM 813 CB VAL A 54 65.292 -18.970 49.046 1.00 0.00 C ATOM 814 CG1 VAL A 54 65.759 -18.541 50.446 1.00 0.00 C ATOM 815 CG2 VAL A 54 65.565 -20.465 48.849 1.00 0.00 C ATOM 0 H VAL A 54 63.407 -17.005 50.123 1.00 0.00 H new ATOM 0 HA VAL A 54 63.480 -18.965 47.875 1.00 0.00 H new ATOM 0 HB VAL A 54 65.839 -18.395 48.299 1.00 0.00 H new ATOM 0 HG11 VAL A 54 66.827 -18.734 50.548 1.00 0.00 H new ATOM 0 HG12 VAL A 54 65.568 -17.477 50.583 1.00 0.00 H new ATOM 0 HG13 VAL A 54 65.214 -19.108 51.201 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.632 -20.658 48.961 1.00 0.00 H new ATOM 0 HG22 VAL A 54 65.012 -21.037 49.594 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.245 -20.765 47.851 1.00 0.00 H new ATOM 825 N ASP A 55 62.290 -20.543 49.418 1.00 0.00 N ATOM 826 CA ASP A 55 61.503 -21.418 50.342 1.00 0.00 C ATOM 827 C ASP A 55 61.457 -22.840 49.778 1.00 0.00 C ATOM 828 O ASP A 55 60.884 -23.018 48.717 1.00 0.00 O ATOM 829 CB ASP A 55 60.073 -20.882 50.466 1.00 0.00 C ATOM 830 CG ASP A 55 60.071 -19.593 51.291 1.00 0.00 C ATOM 831 OD1 ASP A 55 60.948 -19.445 52.125 1.00 0.00 O ATOM 832 OD2 ASP A 55 59.186 -18.781 51.080 1.00 0.00 O ATOM 833 OXT ASP A 55 61.995 -23.727 50.420 1.00 0.00 O ATOM 0 H ASP A 55 62.215 -20.783 48.429 1.00 0.00 H new ATOM 0 HA ASP A 55 61.977 -21.424 51.323 1.00 0.00 H new ATOM 0 HB2 ASP A 55 59.659 -20.691 49.476 1.00 0.00 H new ATOM 0 HB3 ASP A 55 59.435 -21.628 50.939 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.029 -11.375 22.579 1.00 0.00 N ATOM 840 CA PHE B 1 95.189 -12.552 22.940 1.00 0.00 C ATOM 841 C PHE B 1 95.793 -13.810 22.322 1.00 0.00 C ATOM 842 O PHE B 1 95.706 -14.033 21.130 1.00 0.00 O ATOM 843 CB PHE B 1 93.770 -12.339 22.413 1.00 0.00 C ATOM 844 CG PHE B 1 93.358 -10.905 22.665 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.140 -10.464 23.975 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.203 -10.015 21.593 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.766 -9.137 24.216 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.829 -8.686 21.835 1.00 0.00 C ATOM 849 CZ PHE B 1 92.611 -8.248 23.146 1.00 0.00 C ATOM 0 H1 PHE B 1 95.423 -10.619 22.200 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.525 -11.030 23.425 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.726 -11.654 21.859 1.00 0.00 H new ATOM 0 HA PHE B 1 95.155 -12.666 24.023 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.728 -12.560 21.347 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.079 -13.021 22.908 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.261 -11.149 24.801 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.372 -10.353 20.581 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.597 -8.799 25.228 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.709 -8.000 21.010 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.323 -7.224 23.332 1.00 0.00 H new ATOM 861 N LEU B 2 96.421 -14.630 23.125 1.00 0.00 N ATOM 862 CA LEU B 2 97.056 -15.874 22.592 1.00 0.00 C ATOM 863 C LEU B 2 96.143 -17.075 22.800 1.00 0.00 C ATOM 864 O LEU B 2 95.518 -17.229 23.827 1.00 0.00 O ATOM 865 CB LEU B 2 98.387 -16.122 23.310 1.00 0.00 C ATOM 866 CG LEU B 2 99.336 -14.932 23.100 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.648 -15.201 23.846 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.628 -14.739 21.600 1.00 0.00 C ATOM 0 H LEU B 2 96.522 -14.491 24.130 1.00 0.00 H new ATOM 0 HA LEU B 2 97.229 -15.743 21.524 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.211 -16.272 24.375 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.848 -17.034 22.932 1.00 0.00 H new ATOM 0 HG LEU B 2 98.866 -14.027 23.485 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.327 -14.361 23.702 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.443 -15.324 24.910 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.108 -16.110 23.458 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.302 -13.892 21.466 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.094 -15.640 21.201 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.695 -14.548 21.069 1.00 0.00 H new ATOM 880 N ASP B 3 96.084 -17.938 21.824 1.00 0.00 N ATOM 881 CA ASP B 3 95.235 -19.155 21.939 1.00 0.00 C ATOM 882 C ASP B 3 95.718 -19.973 23.134 1.00 0.00 C ATOM 883 O ASP B 3 94.932 -20.528 23.876 1.00 0.00 O ATOM 884 CB ASP B 3 95.348 -19.990 20.663 1.00 0.00 C ATOM 885 CG ASP B 3 94.654 -19.260 19.511 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.836 -18.399 19.789 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.951 -19.577 18.371 1.00 0.00 O ATOM 0 H ASP B 3 96.593 -17.851 20.944 1.00 0.00 H new ATOM 0 HA ASP B 3 94.193 -18.868 22.079 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.397 -20.161 20.420 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.892 -20.968 20.815 1.00 0.00 H new ATOM 892 N GLY B 4 97.012 -20.046 23.328 1.00 0.00 N ATOM 893 CA GLY B 4 97.564 -20.818 24.484 1.00 0.00 C ATOM 894 C GLY B 4 96.771 -20.472 25.746 1.00 0.00 C ATOM 895 O GLY B 4 96.826 -21.166 26.741 1.00 0.00 O ATOM 0 H GLY B 4 97.712 -19.602 22.733 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.503 -21.888 24.284 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.618 -20.579 24.626 1.00 0.00 H new ATOM 899 N ILE B 5 96.013 -19.413 25.695 1.00 0.00 N ATOM 900 CA ILE B 5 95.188 -19.019 26.864 1.00 0.00 C ATOM 901 C ILE B 5 94.249 -20.181 27.201 1.00 0.00 C ATOM 902 O ILE B 5 93.960 -20.447 28.351 1.00 0.00 O ATOM 903 CB ILE B 5 94.389 -17.755 26.497 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.311 -16.533 26.577 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.203 -17.571 27.455 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.622 -15.323 25.940 1.00 0.00 C ATOM 0 H ILE B 5 95.931 -18.799 24.884 1.00 0.00 H new ATOM 0 HA ILE B 5 95.809 -18.800 27.733 1.00 0.00 H new ATOM 0 HB ILE B 5 94.003 -17.862 25.483 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.556 -16.318 27.617 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.250 -16.740 26.064 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.650 -16.673 27.181 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.545 -18.437 27.389 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.572 -17.472 28.476 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.281 -14.457 25.999 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.400 -15.539 24.895 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.695 -15.111 26.472 1.00 0.00 H new ATOM 918 N ASP B 6 93.787 -20.885 26.206 1.00 0.00 N ATOM 919 CA ASP B 6 92.884 -22.042 26.464 1.00 0.00 C ATOM 920 C ASP B 6 93.617 -23.063 27.338 1.00 0.00 C ATOM 921 O ASP B 6 93.048 -23.650 28.236 1.00 0.00 O ATOM 922 CB ASP B 6 92.495 -22.692 25.135 1.00 0.00 C ATOM 923 CG ASP B 6 91.563 -21.758 24.363 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.922 -20.935 24.997 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.506 -21.880 23.150 1.00 0.00 O ATOM 0 H ASP B 6 93.996 -20.709 25.223 1.00 0.00 H new ATOM 0 HA ASP B 6 91.984 -21.700 26.975 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.388 -22.901 24.545 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.002 -23.647 25.316 1.00 0.00 H new ATOM 930 N LYS B 7 94.877 -23.277 27.081 1.00 0.00 N ATOM 931 CA LYS B 7 95.652 -24.256 27.896 1.00 0.00 C ATOM 932 C LYS B 7 95.722 -23.756 29.340 1.00 0.00 C ATOM 933 O LYS B 7 95.616 -24.519 30.279 1.00 0.00 O ATOM 934 CB LYS B 7 97.069 -24.396 27.330 1.00 0.00 C ATOM 935 CG LYS B 7 97.831 -25.467 28.116 1.00 0.00 C ATOM 936 CD LYS B 7 99.247 -25.610 27.554 1.00 0.00 C ATOM 937 CE LYS B 7 100.007 -26.666 28.358 1.00 0.00 C ATOM 938 NZ LYS B 7 101.425 -26.714 27.903 1.00 0.00 N ATOM 0 H LYS B 7 95.405 -22.816 26.340 1.00 0.00 H new ATOM 0 HA LYS B 7 95.161 -25.228 27.865 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.025 -24.667 26.275 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.593 -23.442 27.393 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.874 -25.196 29.171 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.306 -26.420 28.053 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.206 -25.897 26.503 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.768 -24.654 27.604 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.963 -26.430 29.421 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.540 -27.642 28.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.941 -27.432 28.450 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.457 -26.959 26.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.868 -25.784 28.048 1.00 0.00 H new ATOM 952 N ALA B 8 95.903 -22.478 29.522 1.00 0.00 N ATOM 953 CA ALA B 8 95.982 -21.920 30.901 1.00 0.00 C ATOM 954 C ALA B 8 94.686 -22.231 31.652 1.00 0.00 C ATOM 955 O ALA B 8 94.693 -22.493 32.838 1.00 0.00 O ATOM 956 CB ALA B 8 96.174 -20.404 30.823 1.00 0.00 C ATOM 0 H ALA B 8 96.000 -21.793 28.772 1.00 0.00 H new ATOM 0 HA ALA B 8 96.824 -22.369 31.429 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.232 -19.992 31.831 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.096 -20.181 30.286 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.331 -19.957 30.297 1.00 0.00 H new ATOM 962 N GLN B 9 93.573 -22.206 30.972 1.00 0.00 N ATOM 963 CA GLN B 9 92.280 -22.502 31.650 1.00 0.00 C ATOM 964 C GLN B 9 92.328 -23.916 32.237 1.00 0.00 C ATOM 965 O GLN B 9 91.843 -24.167 33.323 1.00 0.00 O ATOM 966 CB GLN B 9 91.141 -22.414 30.629 1.00 0.00 C ATOM 967 CG GLN B 9 90.936 -20.954 30.221 1.00 0.00 C ATOM 968 CD GLN B 9 89.819 -20.861 29.180 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.803 -21.698 28.180 1.00 0.00 O flip ATOM 970 NE2 GLN B 9 88.956 -20.011 29.274 1.00 0.00 N flip ATOM 0 H GLN B 9 93.503 -21.994 29.977 1.00 0.00 H new ATOM 0 HA GLN B 9 92.111 -21.780 32.449 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.376 -23.018 29.753 1.00 0.00 H new ATOM 0 HB3 GLN B 9 90.223 -22.816 31.057 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.682 -20.354 31.095 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.861 -20.547 29.813 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.968 -19.356 30.056 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.219 -19.952 28.571 1.00 0.00 H new ATOM 979 N GLU B 10 92.901 -24.841 31.519 1.00 0.00 N ATOM 980 CA GLU B 10 92.981 -26.245 32.017 1.00 0.00 C ATOM 981 C GLU B 10 93.758 -26.299 33.337 1.00 0.00 C ATOM 982 O GLU B 10 93.415 -27.036 34.239 1.00 0.00 O ATOM 983 CB GLU B 10 93.692 -27.110 30.975 1.00 0.00 C ATOM 984 CG GLU B 10 92.797 -27.260 29.742 1.00 0.00 C ATOM 985 CD GLU B 10 93.505 -28.125 28.698 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.680 -28.399 28.882 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.862 -28.495 27.729 1.00 0.00 O ATOM 0 H GLU B 10 93.320 -24.685 30.602 1.00 0.00 H new ATOM 0 HA GLU B 10 91.971 -26.619 32.186 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.642 -26.654 30.695 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.920 -28.090 31.394 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.847 -27.715 30.023 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.570 -26.280 29.323 1.00 0.00 H new ATOM 994 N GLU B 11 94.817 -25.539 33.451 1.00 0.00 N ATOM 995 CA GLU B 11 95.633 -25.564 34.706 1.00 0.00 C ATOM 996 C GLU B 11 95.167 -24.469 35.669 1.00 0.00 C ATOM 997 O GLU B 11 95.744 -24.274 36.721 1.00 0.00 O ATOM 998 CB GLU B 11 97.105 -25.334 34.356 1.00 0.00 C ATOM 999 CG GLU B 11 97.651 -26.560 33.621 1.00 0.00 C ATOM 1000 CD GLU B 11 99.087 -26.288 33.167 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.636 -25.278 33.577 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.610 -27.091 32.412 1.00 0.00 O ATOM 0 H GLU B 11 95.153 -24.901 32.730 1.00 0.00 H new ATOM 0 HA GLU B 11 95.509 -26.534 35.187 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.207 -24.447 33.731 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.682 -25.153 35.263 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.625 -27.431 34.276 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.024 -26.790 32.760 1.00 0.00 H new ATOM 1009 N CYS B 12 94.130 -23.752 35.331 1.00 0.00 N ATOM 1010 CA CYS B 12 93.644 -22.678 36.246 1.00 0.00 C ATOM 1011 C CYS B 12 93.516 -23.245 37.663 1.00 0.00 C ATOM 1012 O CYS B 12 93.883 -22.612 38.633 1.00 0.00 O ATOM 1013 CB CYS B 12 92.277 -22.180 35.772 1.00 0.00 C ATOM 1014 SG CYS B 12 91.717 -20.833 36.844 1.00 0.00 S ATOM 0 H CYS B 12 93.600 -23.862 34.466 1.00 0.00 H new ATOM 0 HA CYS B 12 94.351 -21.848 36.244 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.342 -21.834 34.740 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.555 -22.996 35.789 1.00 0.00 H new ATOM 1019 N GLU B 13 93.002 -24.438 37.784 1.00 0.00 N ATOM 1020 CA GLU B 13 92.854 -25.060 39.131 1.00 0.00 C ATOM 1021 C GLU B 13 94.233 -25.182 39.785 1.00 0.00 C ATOM 1022 O GLU B 13 94.394 -24.964 40.970 1.00 0.00 O ATOM 1023 CB GLU B 13 92.234 -26.451 38.981 1.00 0.00 C ATOM 1024 CG GLU B 13 91.988 -27.058 40.364 1.00 0.00 C ATOM 1025 CD GLU B 13 91.368 -28.448 40.206 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.006 -28.791 39.092 1.00 0.00 O ATOM 1027 OE2 GLU B 13 91.263 -29.145 41.202 1.00 0.00 O ATOM 0 H GLU B 13 92.677 -25.011 37.005 1.00 0.00 H new ATOM 0 HA GLU B 13 92.209 -24.440 39.754 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.296 -26.384 38.431 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.897 -27.095 38.403 1.00 0.00 H new ATOM 0 HG2 GLU B 13 92.926 -27.127 40.915 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.324 -26.415 40.943 1.00 0.00 H new ATOM 1034 N LYS B 14 95.226 -25.539 39.017 1.00 0.00 N ATOM 1035 CA LYS B 14 96.598 -25.689 39.579 1.00 0.00 C ATOM 1036 C LYS B 14 97.073 -24.349 40.146 1.00 0.00 C ATOM 1037 O LYS B 14 97.702 -24.295 41.185 1.00 0.00 O ATOM 1038 CB LYS B 14 97.549 -26.151 38.468 1.00 0.00 C ATOM 1039 CG LYS B 14 98.961 -26.337 39.031 1.00 0.00 C ATOM 1040 CD LYS B 14 99.890 -26.830 37.919 1.00 0.00 C ATOM 1041 CE LYS B 14 101.302 -27.018 38.477 1.00 0.00 C ATOM 1042 NZ LYS B 14 102.145 -27.724 37.471 1.00 0.00 N ATOM 0 H LYS B 14 95.145 -25.734 38.019 1.00 0.00 H new ATOM 0 HA LYS B 14 96.587 -26.428 40.380 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.193 -27.088 38.040 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.564 -25.417 37.662 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.330 -25.395 39.437 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.946 -27.054 39.852 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.520 -27.771 37.513 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.905 -26.113 37.099 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.740 -26.050 38.719 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.265 -27.592 39.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.105 -27.852 37.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.729 -28.654 37.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.190 -27.160 36.598 1.00 0.00 H new ATOM 1056 N TYR B 15 96.785 -23.267 39.476 1.00 0.00 N ATOM 1057 CA TYR B 15 97.229 -21.935 39.982 1.00 0.00 C ATOM 1058 C TYR B 15 96.181 -21.379 40.952 1.00 0.00 C ATOM 1059 O TYR B 15 96.442 -20.456 41.698 1.00 0.00 O ATOM 1060 CB TYR B 15 97.416 -20.983 38.799 1.00 0.00 C ATOM 1061 CG TYR B 15 98.614 -21.434 37.998 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.896 -21.002 38.357 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.447 -22.297 36.906 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.010 -21.428 37.626 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.563 -22.724 36.174 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.844 -22.290 36.535 1.00 0.00 C ATOM 1067 OH TYR B 15 101.944 -22.712 35.814 1.00 0.00 O ATOM 0 H TYR B 15 96.262 -23.246 38.601 1.00 0.00 H new ATOM 0 HA TYR B 15 98.177 -22.037 40.511 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.523 -20.978 38.173 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.562 -19.963 39.154 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.025 -20.339 39.200 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.459 -22.633 36.629 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.998 -21.092 37.903 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.435 -23.388 35.332 1.00 0.00 H new ATOM 0 HH TYR B 15 102.586 -21.975 35.735 1.00 0.00 H new ATOM 1077 N HIS B 16 95.006 -21.948 40.959 1.00 0.00 N ATOM 1078 CA HIS B 16 93.942 -21.478 41.896 1.00 0.00 C ATOM 1079 C HIS B 16 93.643 -19.993 41.670 1.00 0.00 C ATOM 1080 O HIS B 16 93.489 -19.540 40.554 1.00 0.00 O ATOM 1081 CB HIS B 16 94.398 -21.696 43.342 1.00 0.00 C ATOM 1082 CG HIS B 16 94.933 -23.093 43.491 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.112 -24.210 43.431 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.204 -23.572 43.696 1.00 0.00 C ATOM 1085 CE1 HIS B 16 94.891 -25.296 43.596 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.171 -24.960 43.761 1.00 0.00 N ATOM 0 H HIS B 16 94.735 -22.722 40.353 1.00 0.00 H new ATOM 0 HA HIS B 16 93.033 -22.050 41.707 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.167 -20.970 43.606 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.564 -21.539 44.026 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.092 -22.964 43.792 1.00 0.00 H new ATOM 0 HE1 HIS B 16 94.525 -26.312 43.595 1.00 0.00 H new ATOM 0 HE2 HIS B 16 96.960 -25.590 43.905 1.00 0.00 H new ATOM 1095 N SER B 17 93.545 -19.237 42.733 1.00 0.00 N ATOM 1096 CA SER B 17 93.239 -17.782 42.606 1.00 0.00 C ATOM 1097 C SER B 17 94.530 -16.988 42.389 1.00 0.00 C ATOM 1098 O SER B 17 94.507 -15.780 42.261 1.00 0.00 O ATOM 1099 CB SER B 17 92.564 -17.296 43.889 1.00 0.00 C ATOM 1100 OG SER B 17 92.120 -15.958 43.709 1.00 0.00 O ATOM 0 H SER B 17 93.665 -19.569 43.690 1.00 0.00 H new ATOM 0 HA SER B 17 92.577 -17.631 41.753 1.00 0.00 H new ATOM 0 HB2 SER B 17 91.721 -17.941 44.137 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.263 -17.350 44.724 1.00 0.00 H new ATOM 0 HG SER B 17 92.766 -15.471 43.156 1.00 0.00 H new ATOM 1106 N ASN B 18 95.655 -17.647 42.351 1.00 0.00 N ATOM 1107 CA ASN B 18 96.934 -16.907 42.150 1.00 0.00 C ATOM 1108 C ASN B 18 97.103 -16.584 40.665 1.00 0.00 C ATOM 1109 O ASN B 18 97.878 -17.207 39.968 1.00 0.00 O ATOM 1110 CB ASN B 18 98.103 -17.780 42.607 1.00 0.00 C ATOM 1111 CG ASN B 18 98.080 -17.916 44.129 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.496 -17.102 44.816 1.00 0.00 O ATOM 1113 ND2 ASN B 18 98.695 -18.922 44.686 1.00 0.00 N ATOM 0 H ASN B 18 95.745 -18.658 42.450 1.00 0.00 H new ATOM 0 HA ASN B 18 96.915 -15.984 42.730 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.037 -18.764 42.143 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.046 -17.339 42.286 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.686 -19.027 45.701 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.185 -19.604 44.107 1.00 0.00 H new ATOM 1120 N TRP B 19 96.381 -15.613 40.177 1.00 0.00 N ATOM 1121 CA TRP B 19 96.499 -15.251 38.738 1.00 0.00 C ATOM 1122 C TRP B 19 97.859 -14.598 38.481 1.00 0.00 C ATOM 1123 O TRP B 19 98.386 -14.650 37.387 1.00 0.00 O ATOM 1124 CB TRP B 19 95.384 -14.275 38.356 1.00 0.00 C ATOM 1125 CG TRP B 19 95.495 -13.021 39.166 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.899 -12.812 40.363 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.232 -11.800 38.858 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.217 -11.540 40.805 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.036 -10.877 39.913 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.041 -11.407 37.776 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.621 -9.610 39.894 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.631 -10.132 37.755 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.421 -9.236 38.811 1.00 0.00 C ATOM 0 H TRP B 19 95.715 -15.056 40.713 1.00 0.00 H new ATOM 0 HA TRP B 19 96.410 -16.154 38.134 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.447 -14.037 37.294 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.412 -14.739 38.522 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.277 -13.522 40.888 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.886 -11.141 41.683 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.210 -12.090 36.956 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.456 -8.923 40.711 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.250 -9.841 36.919 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.877 -8.257 38.788 1.00 0.00 H new ATOM 1144 N ARG B 20 98.427 -13.972 39.475 1.00 0.00 N ATOM 1145 CA ARG B 20 99.745 -13.306 39.278 1.00 0.00 C ATOM 1146 C ARG B 20 100.789 -14.338 38.853 1.00 0.00 C ATOM 1147 O ARG B 20 101.613 -14.083 37.996 1.00 0.00 O ATOM 1148 CB ARG B 20 100.187 -12.660 40.592 1.00 0.00 C ATOM 1149 CG ARG B 20 99.294 -11.457 40.903 1.00 0.00 C ATOM 1150 CD ARG B 20 99.746 -10.819 42.218 1.00 0.00 C ATOM 1151 NE ARG B 20 98.824 -9.706 42.578 1.00 0.00 N ATOM 1152 CZ ARG B 20 98.819 -9.233 43.794 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.628 -9.731 44.689 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.008 -8.263 44.115 1.00 0.00 N ATOM 0 H ARG B 20 98.036 -13.893 40.414 1.00 0.00 H new ATOM 0 HA ARG B 20 99.650 -12.545 38.503 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.130 -13.386 41.403 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.228 -12.344 40.521 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.350 -10.729 40.094 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.253 -11.772 40.977 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.757 -11.566 43.011 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.765 -10.443 42.120 1.00 0.00 H new ATOM 0 HE ARG B 20 98.197 -9.314 41.875 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.263 -10.489 44.437 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.625 -9.362 45.640 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.377 -7.873 43.415 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.005 -7.894 45.066 1.00 0.00 H new ATOM 1168 N ALA B 21 100.770 -15.497 39.447 1.00 0.00 N ATOM 1169 CA ALA B 21 101.771 -16.534 39.073 1.00 0.00 C ATOM 1170 C ALA B 21 101.492 -17.021 37.650 1.00 0.00 C ATOM 1171 O ALA B 21 102.396 -17.228 36.866 1.00 0.00 O ATOM 1172 CB ALA B 21 101.676 -17.712 40.047 1.00 0.00 C ATOM 0 H ALA B 21 100.108 -15.771 40.173 1.00 0.00 H new ATOM 0 HA ALA B 21 102.773 -16.107 39.120 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.409 -18.471 39.773 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.876 -17.363 41.060 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.675 -18.141 40.002 1.00 0.00 H new ATOM 1178 N MET B 22 100.245 -17.205 37.308 1.00 0.00 N ATOM 1179 CA MET B 22 99.915 -17.677 35.934 1.00 0.00 C ATOM 1180 C MET B 22 100.357 -16.631 34.907 1.00 0.00 C ATOM 1181 O MET B 22 100.879 -16.961 33.863 1.00 0.00 O ATOM 1182 CB MET B 22 98.406 -17.911 35.823 1.00 0.00 C ATOM 1183 CG MET B 22 98.069 -18.404 34.415 1.00 0.00 C ATOM 1184 SD MET B 22 96.358 -18.996 34.375 1.00 0.00 S ATOM 1185 CE MET B 22 95.565 -17.448 34.870 1.00 0.00 C ATOM 0 H MET B 22 99.443 -17.049 37.919 1.00 0.00 H new ATOM 0 HA MET B 22 100.440 -18.612 35.736 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.085 -18.644 36.563 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.867 -16.987 36.035 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.203 -17.597 33.694 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.749 -19.205 34.126 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.572 -17.390 34.425 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.479 -17.414 35.956 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.166 -16.606 34.528 1.00 0.00 H new ATOM 1195 N ALA B 23 100.162 -15.372 35.193 1.00 0.00 N ATOM 1196 CA ALA B 23 100.581 -14.322 34.222 1.00 0.00 C ATOM 1197 C ALA B 23 102.084 -14.451 33.960 1.00 0.00 C ATOM 1198 O ALA B 23 102.548 -14.306 32.847 1.00 0.00 O ATOM 1199 CB ALA B 23 100.287 -12.940 34.807 1.00 0.00 C ATOM 0 H ALA B 23 99.733 -15.027 36.052 1.00 0.00 H new ATOM 0 HA ALA B 23 100.031 -14.446 33.289 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.593 -12.172 34.097 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.219 -12.848 35.003 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.839 -12.814 35.738 1.00 0.00 H new ATOM 1205 N SER B 24 102.845 -14.721 34.985 1.00 0.00 N ATOM 1206 CA SER B 24 104.320 -14.860 34.818 1.00 0.00 C ATOM 1207 C SER B 24 104.639 -16.073 33.941 1.00 0.00 C ATOM 1208 O SER B 24 105.533 -16.036 33.119 1.00 0.00 O ATOM 1209 CB SER B 24 104.973 -15.032 36.190 1.00 0.00 C ATOM 1210 OG SER B 24 104.838 -13.823 36.926 1.00 0.00 O ATOM 0 H SER B 24 102.506 -14.852 35.938 1.00 0.00 H new ATOM 0 HA SER B 24 104.711 -13.964 34.336 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.503 -15.855 36.729 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.027 -15.286 36.075 1.00 0.00 H new ATOM 0 HG SER B 24 105.254 -13.928 37.807 1.00 0.00 H new ATOM 1216 N ASP B 25 103.930 -17.153 34.118 1.00 0.00 N ATOM 1217 CA ASP B 25 104.211 -18.369 33.301 1.00 0.00 C ATOM 1218 C ASP B 25 103.825 -18.121 31.845 1.00 0.00 C ATOM 1219 O ASP B 25 104.515 -18.531 30.934 1.00 0.00 O ATOM 1220 CB ASP B 25 103.396 -19.544 33.842 1.00 0.00 C ATOM 1221 CG ASP B 25 103.954 -19.975 35.199 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.140 -19.790 35.415 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.186 -20.482 35.996 1.00 0.00 O ATOM 0 H ASP B 25 103.170 -17.247 34.791 1.00 0.00 H new ATOM 0 HA ASP B 25 105.275 -18.597 33.358 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.349 -19.258 33.943 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.432 -20.378 33.141 1.00 0.00 H new ATOM 1228 N PHE B 26 102.729 -17.453 31.618 1.00 0.00 N ATOM 1229 CA PHE B 26 102.291 -17.174 30.215 1.00 0.00 C ATOM 1230 C PHE B 26 102.746 -15.768 29.802 1.00 0.00 C ATOM 1231 O PHE B 26 102.544 -15.345 28.681 1.00 0.00 O ATOM 1232 CB PHE B 26 100.768 -17.283 30.138 1.00 0.00 C ATOM 1233 CG PHE B 26 100.369 -18.737 30.270 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.167 -19.303 31.536 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.199 -19.520 29.121 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.799 -20.649 31.651 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.830 -20.865 29.237 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.631 -21.430 30.502 1.00 0.00 C ATOM 0 H PHE B 26 102.113 -17.086 32.344 1.00 0.00 H new ATOM 0 HA PHE B 26 102.739 -17.899 29.535 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.308 -16.693 30.931 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.409 -16.879 29.191 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.295 -18.701 32.423 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.353 -19.085 28.144 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.645 -21.085 32.627 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.699 -21.467 28.350 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.348 -22.468 30.591 1.00 0.00 H new ATOM 1248 N ASN B 27 103.379 -15.050 30.693 1.00 0.00 N ATOM 1249 CA ASN B 27 103.869 -13.681 30.350 1.00 0.00 C ATOM 1250 C ASN B 27 102.744 -12.848 29.735 1.00 0.00 C ATOM 1251 O ASN B 27 102.926 -12.213 28.715 1.00 0.00 O ATOM 1252 CB ASN B 27 105.016 -13.787 29.345 1.00 0.00 C ATOM 1253 CG ASN B 27 106.221 -14.451 30.011 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.529 -14.134 31.239 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.890 -15.266 29.408 1.00 0.00 N flip ATOM 0 H ASN B 27 103.578 -15.353 31.646 1.00 0.00 H new ATOM 0 HA ASN B 27 104.214 -13.196 31.263 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.701 -14.368 28.478 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.288 -12.796 28.983 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.649 -15.514 28.448 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.693 -15.703 29.861 1.00 0.00 H new ATOM 1262 N LEU B 28 101.587 -12.840 30.346 1.00 0.00 N ATOM 1263 CA LEU B 28 100.438 -12.042 29.803 1.00 0.00 C ATOM 1264 C LEU B 28 100.095 -10.921 30.790 1.00 0.00 C ATOM 1265 O LEU B 28 100.307 -11.059 31.979 1.00 0.00 O ATOM 1266 CB LEU B 28 99.227 -12.964 29.648 1.00 0.00 C ATOM 1267 CG LEU B 28 99.442 -13.923 28.462 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.501 -15.126 28.592 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.162 -13.199 27.129 1.00 0.00 C ATOM 0 H LEU B 28 101.384 -13.354 31.203 1.00 0.00 H new ATOM 0 HA LEU B 28 100.704 -11.612 28.838 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.074 -13.534 30.564 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.326 -12.371 29.488 1.00 0.00 H new ATOM 0 HG LEU B 28 100.478 -14.263 28.472 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.656 -15.802 27.751 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.709 -15.652 29.524 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.467 -14.781 28.594 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.318 -13.889 26.300 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.131 -12.845 27.117 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.839 -12.350 27.027 1.00 0.00 H new ATOM 1281 N PRO B 29 99.567 -9.815 30.315 1.00 0.00 N ATOM 1282 CA PRO B 29 99.201 -8.674 31.201 1.00 0.00 C ATOM 1283 C PRO B 29 97.985 -9.011 32.086 1.00 0.00 C ATOM 1284 O PRO B 29 97.127 -9.774 31.689 1.00 0.00 O ATOM 1285 CB PRO B 29 98.868 -7.540 30.218 1.00 0.00 C ATOM 1286 CG PRO B 29 98.441 -8.235 28.966 1.00 0.00 C ATOM 1287 CD PRO B 29 99.260 -9.526 28.900 1.00 0.00 C ATOM 0 HA PRO B 29 100.000 -8.415 31.895 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.075 -6.900 30.606 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.734 -6.902 30.041 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.373 -8.451 28.985 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.625 -7.611 28.091 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.695 -10.336 28.439 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.168 -9.395 28.311 1.00 0.00 H new ATOM 1295 N PRO B 30 97.902 -8.450 33.270 1.00 0.00 N ATOM 1296 CA PRO B 30 96.761 -8.710 34.191 1.00 0.00 C ATOM 1297 C PRO B 30 95.410 -8.747 33.459 1.00 0.00 C ATOM 1298 O PRO B 30 94.449 -9.311 33.942 1.00 0.00 O ATOM 1299 CB PRO B 30 96.809 -7.524 35.165 1.00 0.00 C ATOM 1300 CG PRO B 30 98.246 -7.095 35.203 1.00 0.00 C ATOM 1301 CD PRO B 30 98.878 -7.515 33.865 1.00 0.00 C ATOM 0 HA PRO B 30 96.847 -9.682 34.676 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.166 -6.712 34.826 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.460 -7.815 36.156 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.323 -6.017 35.344 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.766 -7.563 36.039 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.047 -6.654 33.219 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.845 -7.995 34.016 1.00 0.00 H new ATOM 1309 N VAL B 31 95.323 -8.128 32.310 1.00 0.00 N ATOM 1310 CA VAL B 31 94.023 -8.110 31.576 1.00 0.00 C ATOM 1311 C VAL B 31 93.583 -9.539 31.252 1.00 0.00 C ATOM 1312 O VAL B 31 92.478 -9.942 31.559 1.00 0.00 O ATOM 1313 CB VAL B 31 94.191 -7.334 30.262 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.920 -7.463 29.408 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.454 -5.857 30.570 1.00 0.00 C ATOM 0 H VAL B 31 96.090 -7.637 31.851 1.00 0.00 H new ATOM 0 HA VAL B 31 93.270 -7.631 32.202 1.00 0.00 H new ATOM 0 HB VAL B 31 95.034 -7.748 29.709 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.049 -6.909 28.478 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.738 -8.514 29.182 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.070 -7.058 29.957 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.573 -5.306 29.637 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.613 -5.446 31.129 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.363 -5.766 31.164 1.00 0.00 H new ATOM 1325 N VAL B 32 94.432 -10.304 30.630 1.00 0.00 N ATOM 1326 CA VAL B 32 94.056 -11.700 30.282 1.00 0.00 C ATOM 1327 C VAL B 32 94.043 -12.565 31.543 1.00 0.00 C ATOM 1328 O VAL B 32 93.191 -13.413 31.715 1.00 0.00 O ATOM 1329 CB VAL B 32 95.064 -12.265 29.281 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.798 -13.758 29.061 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.939 -11.519 27.949 1.00 0.00 C ATOM 0 H VAL B 32 95.371 -10.023 30.347 1.00 0.00 H new ATOM 0 HA VAL B 32 93.061 -11.704 29.837 1.00 0.00 H new ATOM 0 HB VAL B 32 96.072 -12.135 29.676 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.519 -14.155 28.347 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.896 -14.288 30.008 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.789 -13.894 28.671 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.658 -11.923 27.237 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.930 -11.643 27.556 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.140 -10.459 28.105 1.00 0.00 H new ATOM 1341 N ALA B 33 94.988 -12.370 32.420 1.00 0.00 N ATOM 1342 CA ALA B 33 95.029 -13.200 33.654 1.00 0.00 C ATOM 1343 C ALA B 33 93.737 -12.999 34.444 1.00 0.00 C ATOM 1344 O ALA B 33 93.059 -13.945 34.792 1.00 0.00 O ATOM 1345 CB ALA B 33 96.230 -12.780 34.502 1.00 0.00 C ATOM 0 H ALA B 33 95.730 -11.675 32.336 1.00 0.00 H new ATOM 0 HA ALA B 33 95.125 -14.253 33.389 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.265 -13.385 35.408 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.147 -12.927 33.932 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.135 -11.728 34.772 1.00 0.00 H new ATOM 1351 N LYS B 34 93.374 -11.778 34.711 1.00 0.00 N ATOM 1352 CA LYS B 34 92.107 -11.536 35.455 1.00 0.00 C ATOM 1353 C LYS B 34 90.930 -12.110 34.664 1.00 0.00 C ATOM 1354 O LYS B 34 90.008 -12.672 35.223 1.00 0.00 O ATOM 1355 CB LYS B 34 91.898 -10.033 35.673 1.00 0.00 C ATOM 1356 CG LYS B 34 92.912 -9.511 36.695 1.00 0.00 C ATOM 1357 CD LYS B 34 92.695 -8.010 36.906 1.00 0.00 C ATOM 1358 CE LYS B 34 93.698 -7.479 37.933 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.558 -5.999 38.044 1.00 0.00 N ATOM 0 H LYS B 34 93.895 -10.941 34.449 1.00 0.00 H new ATOM 0 HA LYS B 34 92.168 -12.028 36.426 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.012 -9.500 34.729 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.884 -9.845 36.025 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.799 -10.042 37.640 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.927 -9.697 36.344 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.814 -7.480 35.961 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.677 -7.825 37.249 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.523 -7.945 38.903 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.713 -7.738 37.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.239 -5.637 38.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.745 -5.562 37.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.592 -5.764 38.349 1.00 0.00 H new ATOM 1373 N GLU B 35 90.946 -11.956 33.369 1.00 0.00 N ATOM 1374 CA GLU B 35 89.820 -12.471 32.536 1.00 0.00 C ATOM 1375 C GLU B 35 89.706 -13.989 32.659 1.00 0.00 C ATOM 1376 O GLU B 35 88.620 -14.531 32.720 1.00 0.00 O ATOM 1377 CB GLU B 35 90.064 -12.121 31.068 1.00 0.00 C ATOM 1378 CG GLU B 35 88.814 -12.460 30.241 1.00 0.00 C ATOM 1379 CD GLU B 35 88.766 -13.965 29.944 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.810 -14.596 29.978 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.681 -14.461 29.691 1.00 0.00 O ATOM 0 H GLU B 35 91.692 -11.494 32.849 1.00 0.00 H new ATOM 0 HA GLU B 35 88.898 -12.010 32.889 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.300 -11.061 30.971 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.923 -12.675 30.690 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.918 -12.161 30.784 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.824 -11.898 29.307 1.00 0.00 H new ATOM 1388 N ILE B 36 90.805 -14.688 32.689 1.00 0.00 N ATOM 1389 CA ILE B 36 90.716 -16.169 32.798 1.00 0.00 C ATOM 1390 C ILE B 36 89.987 -16.502 34.095 1.00 0.00 C ATOM 1391 O ILE B 36 89.146 -17.379 34.142 1.00 0.00 O ATOM 1392 CB ILE B 36 92.126 -16.767 32.806 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.746 -16.596 31.416 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.053 -18.258 33.149 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.244 -16.891 31.483 1.00 0.00 C ATOM 0 H ILE B 36 91.749 -14.304 32.643 1.00 0.00 H new ATOM 0 HA ILE B 36 90.172 -16.587 31.951 1.00 0.00 H new ATOM 0 HB ILE B 36 92.736 -16.257 33.552 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.264 -17.269 30.707 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.581 -15.581 31.055 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.058 -18.680 33.154 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.602 -18.383 34.134 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.447 -18.773 32.404 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.684 -16.769 30.493 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.720 -16.200 32.179 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.398 -17.914 31.825 1.00 0.00 H new ATOM 1407 N VAL B 37 90.274 -15.778 35.138 1.00 0.00 N ATOM 1408 CA VAL B 37 89.570 -16.012 36.425 1.00 0.00 C ATOM 1409 C VAL B 37 88.109 -15.592 36.239 1.00 0.00 C ATOM 1410 O VAL B 37 87.192 -16.227 36.720 1.00 0.00 O ATOM 1411 CB VAL B 37 90.221 -15.153 37.514 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.365 -15.186 38.782 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.621 -15.692 37.821 1.00 0.00 C ATOM 0 H VAL B 37 90.969 -15.031 35.154 1.00 0.00 H new ATOM 0 HA VAL B 37 89.628 -17.060 36.718 1.00 0.00 H new ATOM 0 HB VAL B 37 90.298 -14.124 37.163 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.833 -14.574 39.553 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.372 -14.795 38.561 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.280 -16.213 39.137 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.084 -15.081 38.596 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.546 -16.723 38.168 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.231 -15.657 36.918 1.00 0.00 H new ATOM 1423 N ALA B 38 87.905 -14.508 35.540 1.00 0.00 N ATOM 1424 CA ALA B 38 86.526 -13.994 35.297 1.00 0.00 C ATOM 1425 C ALA B 38 85.698 -15.014 34.501 1.00 0.00 C ATOM 1426 O ALA B 38 84.484 -14.954 34.485 1.00 0.00 O ATOM 1427 CB ALA B 38 86.619 -12.677 34.513 1.00 0.00 C ATOM 0 H ALA B 38 88.647 -13.948 35.121 1.00 0.00 H new ATOM 0 HA ALA B 38 86.033 -13.827 36.255 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.616 -12.291 34.329 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.188 -11.949 35.091 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.119 -12.855 33.561 1.00 0.00 H new ATOM 1433 N SER B 39 86.335 -15.936 33.825 1.00 0.00 N ATOM 1434 CA SER B 39 85.568 -16.938 33.019 1.00 0.00 C ATOM 1435 C SER B 39 85.359 -18.211 33.838 1.00 0.00 C ATOM 1436 O SER B 39 84.334 -18.857 33.747 1.00 0.00 O ATOM 1437 CB SER B 39 86.358 -17.280 31.755 1.00 0.00 C ATOM 1438 OG SER B 39 86.530 -16.102 30.977 1.00 0.00 O ATOM 0 H SER B 39 87.349 -16.040 33.795 1.00 0.00 H new ATOM 0 HA SER B 39 84.599 -16.517 32.750 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.328 -17.699 32.021 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.831 -18.038 31.176 1.00 0.00 H new ATOM 0 HG SER B 39 87.428 -16.097 30.584 1.00 0.00 H new ATOM 1444 N CYS B 40 86.315 -18.571 34.646 1.00 0.00 N ATOM 1445 CA CYS B 40 86.159 -19.796 35.477 1.00 0.00 C ATOM 1446 C CYS B 40 84.935 -19.631 36.384 1.00 0.00 C ATOM 1447 O CYS B 40 84.746 -18.604 37.004 1.00 0.00 O ATOM 1448 CB CYS B 40 87.416 -19.995 36.325 1.00 0.00 C ATOM 1449 SG CYS B 40 87.480 -21.700 36.927 1.00 0.00 S ATOM 0 H CYS B 40 87.196 -18.071 34.767 1.00 0.00 H new ATOM 0 HA CYS B 40 86.020 -20.667 34.837 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.304 -19.774 35.733 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.413 -19.302 37.166 1.00 0.00 H new ATOM 1454 N ASP B 41 84.097 -20.628 36.458 1.00 0.00 N ATOM 1455 CA ASP B 41 82.882 -20.516 37.315 1.00 0.00 C ATOM 1456 C ASP B 41 83.245 -20.724 38.790 1.00 0.00 C ATOM 1457 O ASP B 41 82.580 -20.223 39.675 1.00 0.00 O ATOM 1458 CB ASP B 41 81.861 -21.575 36.884 1.00 0.00 C ATOM 1459 CG ASP B 41 81.249 -21.182 35.536 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.317 -20.013 35.194 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.717 -22.056 34.872 1.00 0.00 O ATOM 0 H ASP B 41 84.200 -21.514 35.963 1.00 0.00 H new ATOM 0 HA ASP B 41 82.456 -19.520 37.198 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.344 -22.549 36.805 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.078 -21.667 37.637 1.00 0.00 H new ATOM 1466 N LYS B 42 84.281 -21.468 39.067 1.00 0.00 N ATOM 1467 CA LYS B 42 84.662 -21.711 40.490 1.00 0.00 C ATOM 1468 C LYS B 42 85.378 -20.489 41.082 1.00 0.00 C ATOM 1469 O LYS B 42 85.133 -20.103 42.207 1.00 0.00 O ATOM 1470 CB LYS B 42 85.592 -22.924 40.559 1.00 0.00 C ATOM 1471 CG LYS B 42 84.798 -24.187 40.224 1.00 0.00 C ATOM 1472 CD LYS B 42 85.718 -25.407 40.289 1.00 0.00 C ATOM 1473 CE LYS B 42 84.928 -26.656 39.897 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.630 -26.609 38.437 1.00 0.00 N ATOM 0 H LYS B 42 84.879 -21.917 38.373 1.00 0.00 H new ATOM 0 HA LYS B 42 83.756 -21.895 41.068 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.419 -22.804 39.859 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.027 -23.007 41.555 1.00 0.00 H new ATOM 0 HG2 LYS B 42 83.972 -24.305 40.925 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.362 -24.101 39.229 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.566 -25.273 39.618 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.122 -25.519 41.295 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.500 -27.553 40.135 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.001 -26.709 40.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.375 -27.561 38.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.838 -25.958 38.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.470 -26.276 37.922 1.00 0.00 H new ATOM 1488 N CYS B 43 86.277 -19.893 40.344 1.00 0.00 N ATOM 1489 CA CYS B 43 87.029 -18.712 40.875 1.00 0.00 C ATOM 1490 C CYS B 43 86.246 -17.414 40.647 1.00 0.00 C ATOM 1491 O CYS B 43 86.705 -16.341 40.987 1.00 0.00 O ATOM 1492 CB CYS B 43 88.388 -18.619 40.178 1.00 0.00 C ATOM 1493 SG CYS B 43 89.265 -20.193 40.356 1.00 0.00 S ATOM 0 H CYS B 43 86.525 -20.172 39.395 1.00 0.00 H new ATOM 0 HA CYS B 43 87.169 -18.845 41.948 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.252 -18.383 39.123 1.00 0.00 H new ATOM 0 HB3 CYS B 43 88.977 -17.811 40.612 1.00 0.00 H new ATOM 1498 N GLN B 44 85.078 -17.487 40.070 1.00 0.00 N ATOM 1499 CA GLN B 44 84.297 -16.238 39.825 1.00 0.00 C ATOM 1500 C GLN B 44 83.952 -15.577 41.165 1.00 0.00 C ATOM 1501 O GLN B 44 84.170 -14.398 41.360 1.00 0.00 O ATOM 1502 CB GLN B 44 83.004 -16.592 39.077 1.00 0.00 C ATOM 1503 CG GLN B 44 82.198 -15.322 38.767 1.00 0.00 C ATOM 1504 CD GLN B 44 82.990 -14.418 37.819 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.496 -14.870 36.811 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.108 -13.148 38.096 1.00 0.00 N ATOM 0 H GLN B 44 84.632 -18.350 39.759 1.00 0.00 H new ATOM 0 HA GLN B 44 84.889 -15.546 39.226 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.244 -17.113 38.150 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.403 -17.273 39.679 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.243 -15.589 38.315 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.975 -14.788 39.691 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.683 -12.769 38.942 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.625 -12.535 37.466 1.00 0.00 H new ATOM 1515 N LEU B 45 83.416 -16.327 42.089 1.00 0.00 N ATOM 1516 CA LEU B 45 83.055 -15.745 43.418 1.00 0.00 C ATOM 1517 C LEU B 45 84.248 -15.874 44.373 1.00 0.00 C ATOM 1518 O LEU B 45 84.901 -16.897 44.426 1.00 0.00 O ATOM 1519 CB LEU B 45 81.861 -16.511 43.992 1.00 0.00 C ATOM 1520 CG LEU B 45 80.686 -16.463 43.005 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.540 -17.324 43.545 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.203 -15.013 42.827 1.00 0.00 C ATOM 0 H LEU B 45 83.211 -17.321 41.983 1.00 0.00 H new ATOM 0 HA LEU B 45 82.797 -14.693 43.300 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.142 -17.546 44.187 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.564 -16.076 44.946 1.00 0.00 H new ATOM 0 HG LEU B 45 81.012 -16.847 42.038 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.703 -17.294 42.848 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.880 -18.353 43.659 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.220 -16.939 44.513 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.369 -14.991 42.125 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.878 -14.617 43.789 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.019 -14.402 42.441 1.00 0.00 H new ATOM 1534 N LYS B 46 84.535 -14.850 45.132 1.00 0.00 N ATOM 1535 CA LYS B 46 85.683 -14.927 46.083 1.00 0.00 C ATOM 1536 C LYS B 46 85.260 -15.718 47.323 1.00 0.00 C ATOM 1537 O LYS B 46 84.218 -15.477 47.898 1.00 0.00 O ATOM 1538 CB LYS B 46 86.111 -13.516 46.494 1.00 0.00 C ATOM 1539 CG LYS B 46 87.355 -13.599 47.382 1.00 0.00 C ATOM 1540 CD LYS B 46 87.841 -12.187 47.718 1.00 0.00 C ATOM 1541 CE LYS B 46 89.130 -12.273 48.538 1.00 0.00 C ATOM 1542 NZ LYS B 46 89.738 -10.917 48.650 1.00 0.00 N ATOM 0 H LYS B 46 84.026 -13.966 45.135 1.00 0.00 H new ATOM 0 HA LYS B 46 86.522 -15.427 45.599 1.00 0.00 H new ATOM 0 HB2 LYS B 46 86.322 -12.916 45.609 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.301 -13.020 47.029 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.125 -14.143 48.298 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.142 -14.154 46.871 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.017 -11.624 46.802 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.075 -11.651 48.279 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.917 -12.671 49.530 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.831 -12.960 48.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 90.614 -10.974 49.207 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.955 -10.554 47.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.070 -10.275 49.121 1.00 0.00 H new ATOM 1556 N GLY B 47 86.056 -16.668 47.735 1.00 0.00 N ATOM 1557 CA GLY B 47 85.688 -17.477 48.932 1.00 0.00 C ATOM 1558 C GLY B 47 84.260 -17.998 48.761 1.00 0.00 C ATOM 1559 O GLY B 47 83.853 -18.365 47.678 1.00 0.00 O ATOM 0 H GLY B 47 86.942 -16.918 47.296 1.00 0.00 H new ATOM 0 HA2 GLY B 47 86.381 -18.310 49.051 1.00 0.00 H new ATOM 0 HA3 GLY B 47 85.762 -16.870 49.834 1.00 0.00 H new ATOM 1563 N GLU B 48 83.490 -18.027 49.816 1.00 0.00 N ATOM 1564 CA GLU B 48 82.087 -18.518 49.696 1.00 0.00 C ATOM 1565 C GLU B 48 81.180 -17.358 49.285 1.00 0.00 C ATOM 1566 O GLU B 48 81.151 -16.954 48.139 1.00 0.00 O ATOM 1567 CB GLU B 48 81.619 -19.075 51.041 1.00 0.00 C ATOM 1568 CG GLU B 48 82.388 -20.359 51.356 1.00 0.00 C ATOM 1569 CD GLU B 48 81.922 -20.918 52.702 1.00 0.00 C ATOM 1570 OE1 GLU B 48 80.997 -20.355 53.265 1.00 0.00 O ATOM 1571 OE2 GLU B 48 82.497 -21.898 53.145 1.00 0.00 O ATOM 0 H GLU B 48 83.770 -17.733 50.752 1.00 0.00 H new ATOM 0 HA GLU B 48 82.042 -19.306 48.944 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.781 -18.339 51.828 1.00 0.00 H new ATOM 0 HB3 GLU B 48 80.548 -19.278 51.010 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.225 -21.095 50.569 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.459 -20.156 51.386 1.00 0.00 H new ATOM 1578 N ALA B 49 80.443 -16.815 50.214 1.00 0.00 N ATOM 1579 CA ALA B 49 79.541 -15.678 49.881 1.00 0.00 C ATOM 1580 C ALA B 49 79.021 -15.047 51.174 1.00 0.00 C ATOM 1581 O ALA B 49 79.761 -14.820 52.110 1.00 0.00 O ATOM 1582 CB ALA B 49 78.362 -16.190 49.048 1.00 0.00 C ATOM 0 H ALA B 49 80.427 -17.110 51.190 1.00 0.00 H new ATOM 0 HA ALA B 49 80.090 -14.931 49.309 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.701 -15.359 48.804 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.735 -16.640 48.128 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.810 -16.937 49.619 1.00 0.00 H new ATOM 1588 N MET B 50 77.750 -14.767 51.231 1.00 0.00 N ATOM 1589 CA MET B 50 77.168 -14.155 52.458 1.00 0.00 C ATOM 1590 C MET B 50 76.934 -15.243 53.508 1.00 0.00 C ATOM 1591 O MET B 50 76.629 -14.963 54.650 1.00 0.00 O ATOM 1592 CB MET B 50 75.837 -13.495 52.099 1.00 0.00 C ATOM 1593 CG MET B 50 76.099 -12.296 51.188 1.00 0.00 C ATOM 1594 SD MET B 50 74.528 -11.525 50.732 1.00 0.00 S ATOM 1595 CE MET B 50 75.221 -10.182 49.737 1.00 0.00 C ATOM 0 H MET B 50 77.085 -14.937 50.476 1.00 0.00 H new ATOM 0 HA MET B 50 77.853 -13.409 52.861 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.186 -14.211 51.598 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.321 -13.173 53.004 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.736 -11.573 51.697 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.632 -12.616 50.293 1.00 0.00 H new ATOM 0 HE1 MET B 50 74.412 -9.565 49.346 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.877 -9.571 50.357 1.00 0.00 H new ATOM 0 HE3 MET B 50 75.792 -10.600 48.908 1.00 0.00 H new ATOM 1605 N HIS B 51 77.070 -16.485 53.128 1.00 0.00 N ATOM 1606 CA HIS B 51 76.849 -17.596 54.098 1.00 0.00 C ATOM 1607 C HIS B 51 78.133 -17.853 54.893 1.00 0.00 C ATOM 1608 O HIS B 51 79.143 -18.254 54.350 1.00 0.00 O ATOM 1609 CB HIS B 51 76.461 -18.862 53.332 1.00 0.00 C ATOM 1610 CG HIS B 51 76.001 -19.914 54.302 1.00 0.00 C ATOM 1611 ND1 HIS B 51 74.830 -19.784 55.035 1.00 0.00 N ATOM 1612 CD2 HIS B 51 76.545 -21.120 54.674 1.00 0.00 C ATOM 1613 CE1 HIS B 51 74.708 -20.883 55.803 1.00 0.00 C ATOM 1614 NE2 HIS B 51 75.726 -21.725 55.619 1.00 0.00 N ATOM 0 H HIS B 51 77.325 -16.779 52.185 1.00 0.00 H new ATOM 0 HA HIS B 51 76.050 -17.323 54.787 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.668 -18.639 52.618 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.313 -19.228 52.759 1.00 0.00 H new ATOM 0 HD2 HIS B 51 77.466 -21.533 54.291 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.888 -21.061 56.483 1.00 0.00 H new ATOM 0 HE2 HIS B 51 75.872 -22.625 56.076 1.00 0.00 H new ATOM 1623 N GLY B 52 78.097 -17.624 56.178 1.00 0.00 N ATOM 1624 CA GLY B 52 79.308 -17.852 57.019 1.00 0.00 C ATOM 1625 C GLY B 52 78.996 -17.464 58.466 1.00 0.00 C ATOM 1626 O GLY B 52 77.859 -17.222 58.818 1.00 0.00 O ATOM 0 H GLY B 52 77.278 -17.287 56.684 1.00 0.00 H new ATOM 0 HA2 GLY B 52 79.610 -18.898 56.967 1.00 0.00 H new ATOM 0 HA3 GLY B 52 80.143 -17.261 56.643 1.00 0.00 H new ATOM 1630 N GLN B 53 79.992 -17.401 59.311 1.00 0.00 N ATOM 1631 CA GLN B 53 79.734 -17.026 60.732 1.00 0.00 C ATOM 1632 C GLN B 53 79.634 -15.503 60.841 1.00 0.00 C ATOM 1633 O GLN B 53 80.582 -14.787 60.585 1.00 0.00 O ATOM 1634 CB GLN B 53 80.883 -17.528 61.609 1.00 0.00 C ATOM 1635 CG GLN B 53 80.806 -19.052 61.728 1.00 0.00 C ATOM 1636 CD GLN B 53 80.950 -19.681 60.341 1.00 0.00 C ATOM 1637 OE1 GLN B 53 82.032 -19.460 59.646 1.00 0.00 O flip ATOM 1638 NE2 GLN B 53 80.068 -20.381 59.884 1.00 0.00 N flip ATOM 0 H GLN B 53 80.967 -17.592 59.080 1.00 0.00 H new ATOM 0 HA GLN B 53 78.801 -17.478 61.067 1.00 0.00 H new ATOM 0 HB2 GLN B 53 81.840 -17.234 61.177 1.00 0.00 H new ATOM 0 HB3 GLN B 53 80.826 -17.072 62.597 1.00 0.00 H new ATOM 0 HG2 GLN B 53 81.594 -19.416 62.387 1.00 0.00 H new ATOM 0 HG3 GLN B 53 79.856 -19.345 62.175 1.00 0.00 H new ATOM 0 HE21 GLN B 53 79.222 -20.554 60.427 1.00 0.00 H new ATOM 0 HE22 GLN B 53 80.174 -20.795 58.958 1.00 0.00 H new ATOM 1647 N VAL B 54 78.486 -15.003 61.218 1.00 0.00 N ATOM 1648 CA VAL B 54 78.302 -13.525 61.344 1.00 0.00 C ATOM 1649 C VAL B 54 77.388 -13.224 62.536 1.00 0.00 C ATOM 1650 O VAL B 54 76.322 -13.791 62.667 1.00 0.00 O ATOM 1651 CB VAL B 54 77.668 -12.982 60.059 1.00 0.00 C ATOM 1652 CG1 VAL B 54 76.337 -13.700 59.783 1.00 0.00 C ATOM 1653 CG2 VAL B 54 77.417 -11.478 60.213 1.00 0.00 C ATOM 0 H VAL B 54 77.662 -15.559 61.446 1.00 0.00 H new ATOM 0 HA VAL B 54 79.269 -13.048 61.502 1.00 0.00 H new ATOM 0 HB VAL B 54 78.345 -13.158 59.223 1.00 0.00 H new ATOM 0 HG11 VAL B 54 75.894 -13.307 58.868 1.00 0.00 H new ATOM 0 HG12 VAL B 54 76.517 -14.769 59.669 1.00 0.00 H new ATOM 0 HG13 VAL B 54 75.654 -13.534 60.616 1.00 0.00 H new ATOM 0 HG21 VAL B 54 76.966 -11.089 59.300 1.00 0.00 H new ATOM 0 HG22 VAL B 54 76.743 -11.306 61.053 1.00 0.00 H new ATOM 0 HG23 VAL B 54 78.363 -10.968 60.396 1.00 0.00 H new ATOM 1663 N ASP B 55 77.795 -12.333 63.403 1.00 0.00 N ATOM 1664 CA ASP B 55 76.951 -11.987 64.589 1.00 0.00 C ATOM 1665 C ASP B 55 77.149 -10.511 64.941 1.00 0.00 C ATOM 1666 O ASP B 55 78.256 -10.153 65.309 1.00 0.00 O ATOM 1667 CB ASP B 55 77.367 -12.848 65.786 1.00 0.00 C ATOM 1668 CG ASP B 55 76.904 -14.291 65.574 1.00 0.00 C ATOM 1669 OD1 ASP B 55 75.918 -14.481 64.883 1.00 0.00 O ATOM 1670 OD2 ASP B 55 77.539 -15.181 66.115 1.00 0.00 O ATOM 1671 OXT ASP B 55 76.188 -9.765 64.838 1.00 0.00 O ATOM 0 H ASP B 55 78.679 -11.828 63.341 1.00 0.00 H new ATOM 0 HA ASP B 55 75.904 -12.173 64.352 1.00 0.00 H new ATOM 0 HB2 ASP B 55 78.450 -12.818 65.908 1.00 0.00 H new ATOM 0 HB3 ASP B 55 76.932 -12.448 66.702 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 80.198 -1.538 36.020 1.00 0.00 CD HETATM 1678 CD CD B 56 89.700 -21.689 38.264 1.00 0.00 CD