USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 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= -5.9! X(o=-8.4!,f=-8.4) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.48 X(o=-8.4,f=-8.4!) USER MOD Single : A 1 PHE N :NH3+ -104:sc= 0.968 (180deg=0.37) USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= -0.235 (180deg=-1.2!) USER MOD Single : A 9 GLN : amide:sc=-0.00529 K(o=-0.0053,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -0.0414 (180deg=-0.497) USER MOD Single : A 15 TYR OH : rot -9:sc= 0.418 USER MOD Single : A 16 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-4.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.8!) USER MOD Single : A 22 MET CE :methyl -154:sc= -0.192 (180deg=-1.42) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 70:sc= 0.0277 USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= -0.189 (180deg=-0.885) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0647 (180deg=-0.471) USER MOD Single : A 50 MET CE :methyl -124:sc= 0 (180deg=-0.193) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 1 PHE N :NH3+ 142:sc= 0.96 (180deg=0.382) USER MOD Single : B 7 LYS NZ :NH3+ -152:sc= -0.189 (180deg=-1.33!) USER MOD Single : B 9 GLN : amide:sc=-0.00863 K(o=-0.0086,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ -160:sc= -0.0514 (180deg=-0.493) USER MOD Single : B 15 TYR OH : rot -9:sc= 0.427 USER MOD Single : B 16 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-4.4!) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.8!) USER MOD Single : B 22 MET CE :methyl -152:sc= -0.22 (180deg=-1.34) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 72:sc= 0.0385 USER MOD Single : B 42 LYS NZ :NH3+ 127:sc= -0.215 (180deg=-0.95) USER MOD Single : B 46 LYS NZ :NH3+ 162:sc= -0.0572 (180deg=-0.44) USER MOD Single : B 50 MET CE :methyl -125:sc= 0 (180deg=-0.212) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : B 53 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.236 -4.938 23.706 1.00 0.00 N ATOM 2 CA PHE A 1 95.070 -4.168 24.970 1.00 0.00 C ATOM 3 C PHE A 1 95.232 -2.677 24.675 1.00 0.00 C ATOM 4 O PHE A 1 96.322 -2.192 24.449 1.00 0.00 O ATOM 5 CB PHE A 1 96.124 -4.624 25.982 1.00 0.00 C ATOM 6 CG PHE A 1 96.280 -6.127 25.891 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.241 -6.965 26.315 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.459 -6.683 25.374 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.381 -8.356 26.225 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.598 -8.074 25.284 1.00 0.00 C ATOM 11 CZ PHE A 1 96.559 -8.910 25.710 1.00 0.00 C ATOM 0 H1 PHE A 1 94.305 -5.251 23.365 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.683 -4.333 22.987 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.837 -5.768 23.882 1.00 0.00 H new ATOM 0 HA PHE A 1 94.078 -4.344 25.387 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.076 -4.134 25.780 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.826 -4.337 26.990 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.331 -6.539 26.712 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.261 -6.038 25.045 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.580 -9.001 26.553 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.507 -8.501 24.886 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.666 -9.982 25.641 1.00 0.00 H new ATOM 23 N LEU A 2 94.141 -1.952 24.657 1.00 0.00 N ATOM 24 CA LEU A 2 94.203 -0.486 24.357 1.00 0.00 C ATOM 25 C LEU A 2 94.088 0.332 25.634 1.00 0.00 C ATOM 26 O LEU A 2 93.313 0.032 26.508 1.00 0.00 O ATOM 27 CB LEU A 2 93.059 -0.108 23.417 1.00 0.00 C ATOM 28 CG LEU A 2 93.107 -0.978 22.154 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.954 -0.585 21.224 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.450 -0.780 21.430 1.00 0.00 C ATOM 0 H LEU A 2 93.205 -2.314 24.838 1.00 0.00 H new ATOM 0 HA LEU A 2 95.162 -0.271 23.886 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.103 -0.240 23.923 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.133 0.945 23.146 1.00 0.00 H new ATOM 0 HG LEU A 2 93.009 -2.027 22.434 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.985 -1.201 20.325 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.004 -0.739 21.737 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.051 0.465 20.947 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.476 -1.401 20.535 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.561 0.267 21.148 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.266 -1.066 22.093 1.00 0.00 H new ATOM 42 N ASP A 3 94.851 1.383 25.729 1.00 0.00 N ATOM 43 CA ASP A 3 94.786 2.251 26.936 1.00 0.00 C ATOM 44 C ASP A 3 93.363 2.799 27.061 1.00 0.00 C ATOM 45 O ASP A 3 92.811 2.884 28.140 1.00 0.00 O ATOM 46 CB ASP A 3 95.780 3.407 26.789 1.00 0.00 C ATOM 47 CG ASP A 3 95.716 4.302 28.028 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.776 4.158 28.793 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.611 5.115 28.193 1.00 0.00 O ATOM 0 H ASP A 3 95.520 1.680 25.019 1.00 0.00 H new ATOM 0 HA ASP A 3 95.042 1.679 27.828 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.790 3.017 26.662 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.548 3.988 25.896 1.00 0.00 H new ATOM 54 N GLY A 4 92.761 3.164 25.959 1.00 0.00 N ATOM 55 CA GLY A 4 91.368 3.699 26.006 1.00 0.00 C ATOM 56 C GLY A 4 90.486 2.749 26.821 1.00 0.00 C ATOM 57 O GLY A 4 89.364 3.067 27.164 1.00 0.00 O ATOM 0 H GLY A 4 93.174 3.115 25.028 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.363 4.692 26.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.972 3.804 24.996 1.00 0.00 H new ATOM 61 N ILE A 5 90.993 1.592 27.149 1.00 0.00 N ATOM 62 CA ILE A 5 90.199 0.627 27.958 1.00 0.00 C ATOM 63 C ILE A 5 89.849 1.283 29.298 1.00 0.00 C ATOM 64 O ILE A 5 88.805 1.037 29.867 1.00 0.00 O ATOM 65 CB ILE A 5 91.028 -0.655 28.164 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.950 -1.513 26.894 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.500 -1.458 29.360 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.991 -2.632 26.959 1.00 0.00 C ATOM 0 H ILE A 5 91.927 1.273 26.890 1.00 0.00 H new ATOM 0 HA ILE A 5 89.274 0.359 27.448 1.00 0.00 H new ATOM 0 HB ILE A 5 92.063 -0.377 28.366 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.952 -1.938 26.792 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.124 -0.893 26.014 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.100 -2.359 29.487 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.563 -0.850 30.263 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.461 -1.736 29.181 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.931 -3.238 26.055 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.988 -2.198 27.039 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.797 -3.259 27.829 1.00 0.00 H new ATOM 80 N ASP A 6 90.709 2.128 29.796 1.00 0.00 N ATOM 81 CA ASP A 6 90.417 2.812 31.087 1.00 0.00 C ATOM 82 C ASP A 6 89.130 3.626 30.944 1.00 0.00 C ATOM 83 O ASP A 6 88.315 3.668 31.839 1.00 0.00 O ATOM 84 CB ASP A 6 91.572 3.749 31.443 1.00 0.00 C ATOM 85 CG ASP A 6 92.801 2.926 31.830 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.622 1.798 32.259 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.900 3.437 31.691 1.00 0.00 O ATOM 0 H ASP A 6 91.600 2.374 29.365 1.00 0.00 H new ATOM 0 HA ASP A 6 90.298 2.069 31.875 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.806 4.393 30.595 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.284 4.400 32.268 1.00 0.00 H new ATOM 92 N LYS A 7 88.946 4.267 29.824 1.00 0.00 N ATOM 93 CA LYS A 7 87.714 5.085 29.607 1.00 0.00 C ATOM 94 C LYS A 7 86.480 4.188 29.714 1.00 0.00 C ATOM 95 O LYS A 7 85.461 4.578 30.250 1.00 0.00 O ATOM 96 CB LYS A 7 87.771 5.719 28.210 1.00 0.00 C ATOM 97 CG LYS A 7 86.522 6.582 27.971 1.00 0.00 C ATOM 98 CD LYS A 7 86.572 7.216 26.569 1.00 0.00 C ATOM 99 CE LYS A 7 87.441 8.481 26.582 1.00 0.00 C ATOM 100 NZ LYS A 7 86.882 9.457 27.558 1.00 0.00 N ATOM 0 H LYS A 7 89.600 4.261 29.041 1.00 0.00 H new ATOM 0 HA LYS A 7 87.655 5.869 30.362 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.669 6.330 28.116 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.835 4.940 27.451 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.625 5.971 28.070 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.461 7.363 28.729 1.00 0.00 H new ATOM 0 HD2 LYS A 7 86.974 6.499 25.853 1.00 0.00 H new ATOM 0 HD3 LYS A 7 85.563 7.464 26.239 1.00 0.00 H new ATOM 0 HE2 LYS A 7 88.466 8.228 26.851 1.00 0.00 H new ATOM 0 HE3 LYS A 7 87.473 8.924 25.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.882 10.408 27.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.908 9.186 27.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.465 9.459 28.419 1.00 0.00 H new ATOM 114 N ALA A 8 86.558 2.994 29.198 1.00 0.00 N ATOM 115 CA ALA A 8 85.386 2.077 29.257 1.00 0.00 C ATOM 116 C ALA A 8 84.978 1.847 30.716 1.00 0.00 C ATOM 117 O ALA A 8 83.814 1.682 31.023 1.00 0.00 O ATOM 118 CB ALA A 8 85.759 0.739 28.617 1.00 0.00 C ATOM 0 H ALA A 8 87.384 2.613 28.737 1.00 0.00 H new ATOM 0 HA ALA A 8 84.551 2.524 28.717 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.903 0.065 28.658 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.044 0.900 27.577 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.595 0.297 29.159 1.00 0.00 H new ATOM 124 N GLN A 9 85.921 1.830 31.619 1.00 0.00 N ATOM 125 CA GLN A 9 85.567 1.602 33.050 1.00 0.00 C ATOM 126 C GLN A 9 84.614 2.705 33.532 1.00 0.00 C ATOM 127 O GLN A 9 83.624 2.434 34.184 1.00 0.00 O ATOM 128 CB GLN A 9 86.843 1.607 33.895 1.00 0.00 C ATOM 129 CG GLN A 9 87.660 0.348 33.587 1.00 0.00 C ATOM 130 CD GLN A 9 89.021 0.433 34.278 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.532 1.511 34.510 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.633 -0.667 34.622 1.00 0.00 N ATOM 0 H GLN A 9 86.914 1.963 31.430 1.00 0.00 H new ATOM 0 HA GLN A 9 85.070 0.637 33.153 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.432 2.498 33.679 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.591 1.640 34.955 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.123 -0.537 33.928 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.794 0.245 32.510 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.204 -1.572 34.427 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.540 -0.622 35.086 1.00 0.00 H new ATOM 141 N GLU A 10 84.890 3.942 33.211 1.00 0.00 N ATOM 142 CA GLU A 10 83.980 5.047 33.646 1.00 0.00 C ATOM 143 C GLU A 10 82.596 4.863 33.022 1.00 0.00 C ATOM 144 O GLU A 10 81.586 5.151 33.634 1.00 0.00 O ATOM 145 CB GLU A 10 84.547 6.410 33.223 1.00 0.00 C ATOM 146 CG GLU A 10 85.793 6.746 34.051 1.00 0.00 C ATOM 147 CD GLU A 10 86.984 5.937 33.546 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.856 5.325 32.503 1.00 0.00 O ATOM 149 OE2 GLU A 10 88.007 5.946 34.212 1.00 0.00 O ATOM 0 H GLU A 10 85.702 4.236 32.669 1.00 0.00 H new ATOM 0 HA GLU A 10 83.899 5.015 34.733 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.800 6.394 32.163 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.792 7.184 33.359 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.010 7.812 33.982 1.00 0.00 H new ATOM 0 HG3 GLU A 10 85.612 6.525 35.103 1.00 0.00 H new ATOM 156 N GLU A 11 82.539 4.411 31.799 1.00 0.00 N ATOM 157 CA GLU A 11 81.219 4.237 31.123 1.00 0.00 C ATOM 158 C GLU A 11 80.671 2.831 31.385 1.00 0.00 C ATOM 159 O GLU A 11 79.612 2.472 30.910 1.00 0.00 O ATOM 160 CB GLU A 11 81.396 4.441 29.617 1.00 0.00 C ATOM 161 CG GLU A 11 81.784 5.896 29.344 1.00 0.00 C ATOM 162 CD GLU A 11 81.963 6.106 27.839 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.793 5.149 27.102 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.262 7.223 27.448 1.00 0.00 O ATOM 0 H GLU A 11 83.350 4.154 31.237 1.00 0.00 H new ATOM 0 HA GLU A 11 80.515 4.970 31.518 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.166 3.770 29.236 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.472 4.195 29.094 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.014 6.566 29.726 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.708 6.141 29.868 1.00 0.00 H new ATOM 171 N CYS A 12 81.376 2.032 32.139 1.00 0.00 N ATOM 172 CA CYS A 12 80.881 0.656 32.426 1.00 0.00 C ATOM 173 C CYS A 12 79.425 0.727 32.898 1.00 0.00 C ATOM 174 O CYS A 12 78.603 -0.091 32.535 1.00 0.00 O ATOM 175 CB CYS A 12 81.736 0.024 33.526 1.00 0.00 C ATOM 176 SG CYS A 12 81.133 -1.647 33.873 1.00 0.00 S ATOM 0 H CYS A 12 82.270 2.272 32.567 1.00 0.00 H new ATOM 0 HA CYS A 12 80.945 0.052 31.521 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.780 -0.012 33.215 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.694 0.632 34.429 1.00 0.00 H new ATOM 181 N GLU A 13 79.101 1.701 33.704 1.00 0.00 N ATOM 182 CA GLU A 13 77.702 1.828 34.200 1.00 0.00 C ATOM 183 C GLU A 13 76.754 2.005 33.011 1.00 0.00 C ATOM 184 O GLU A 13 75.659 1.478 32.990 1.00 0.00 O ATOM 185 CB GLU A 13 77.583 3.048 35.117 1.00 0.00 C ATOM 186 CG GLU A 13 78.369 2.806 36.406 1.00 0.00 C ATOM 187 CD GLU A 13 78.226 4.023 37.323 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.534 4.951 36.938 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.803 4.003 38.396 1.00 0.00 O ATOM 0 H GLU A 13 79.746 2.415 34.041 1.00 0.00 H new ATOM 0 HA GLU A 13 77.439 0.928 34.755 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.963 3.934 34.609 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.535 3.239 35.350 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.999 1.912 36.909 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.420 2.631 36.177 1.00 0.00 H new ATOM 196 N LYS A 14 77.162 2.763 32.033 1.00 0.00 N ATOM 197 CA LYS A 14 76.287 3.005 30.851 1.00 0.00 C ATOM 198 C LYS A 14 76.024 1.689 30.110 1.00 0.00 C ATOM 199 O LYS A 14 74.942 1.464 29.606 1.00 0.00 O ATOM 200 CB LYS A 14 76.970 4.001 29.912 1.00 0.00 C ATOM 201 CG LYS A 14 77.010 5.376 30.583 1.00 0.00 C ATOM 202 CD LYS A 14 77.691 6.383 29.656 1.00 0.00 C ATOM 203 CE LYS A 14 77.727 7.755 30.332 1.00 0.00 C ATOM 204 NZ LYS A 14 76.336 8.252 30.533 1.00 0.00 N ATOM 0 H LYS A 14 78.069 3.228 32.001 1.00 0.00 H new ATOM 0 HA LYS A 14 75.334 3.414 31.187 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.981 3.666 29.680 1.00 0.00 H new ATOM 0 HB3 LYS A 14 76.429 4.059 28.968 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.998 5.708 30.815 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.550 5.314 31.528 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.704 6.053 29.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.152 6.446 28.711 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.241 7.685 31.291 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.290 8.459 29.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.352 9.283 30.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.760 8.020 29.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.924 7.800 31.374 1.00 0.00 H new ATOM 218 N TYR A 15 76.995 0.816 30.035 1.00 0.00 N ATOM 219 CA TYR A 15 76.774 -0.477 29.317 1.00 0.00 C ATOM 220 C TYR A 15 76.154 -1.495 30.275 1.00 0.00 C ATOM 221 O TYR A 15 75.569 -2.473 29.858 1.00 0.00 O ATOM 222 CB TYR A 15 78.109 -1.021 28.807 1.00 0.00 C ATOM 223 CG TYR A 15 78.722 -0.035 27.845 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.279 0.010 26.519 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.732 0.833 28.277 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.846 0.923 25.624 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.299 1.746 27.380 1.00 0.00 C ATOM 228 CZ TYR A 15 79.856 1.791 26.054 1.00 0.00 C ATOM 229 OH TYR A 15 80.417 2.691 25.170 1.00 0.00 O ATOM 0 H TYR A 15 77.925 0.940 30.436 1.00 0.00 H new ATOM 0 HA TYR A 15 76.104 -0.306 28.475 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.785 -1.197 29.644 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.957 -1.981 28.313 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.500 -0.660 26.187 1.00 0.00 H new ATOM 0 HD2 TYR A 15 80.073 0.798 29.301 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.504 0.958 24.600 1.00 0.00 H new ATOM 0 HE2 TYR A 15 81.079 2.416 27.712 1.00 0.00 H new ATOM 0 HH TYR A 15 80.108 2.493 24.261 1.00 0.00 H new ATOM 239 N HIS A 16 76.275 -1.269 31.556 1.00 0.00 N ATOM 240 CA HIS A 16 75.686 -2.218 32.543 1.00 0.00 C ATOM 241 C HIS A 16 76.269 -3.617 32.328 1.00 0.00 C ATOM 242 O HIS A 16 77.463 -3.787 32.176 1.00 0.00 O ATOM 243 CB HIS A 16 74.162 -2.257 32.377 1.00 0.00 C ATOM 244 CG HIS A 16 73.626 -0.851 32.341 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.529 -0.126 31.161 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.154 -0.023 33.330 1.00 0.00 C ATOM 247 CE1 HIS A 16 73.017 1.081 31.467 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.772 1.193 32.773 1.00 0.00 N ATOM 0 H HIS A 16 76.757 -0.467 31.961 1.00 0.00 H new ATOM 0 HA HIS A 16 75.927 -1.883 33.552 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.899 -2.782 31.459 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.710 -2.809 33.201 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.089 -0.277 34.378 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.828 1.861 30.745 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.386 2.001 33.261 1.00 0.00 H new ATOM 257 N SER A 17 75.435 -4.623 32.326 1.00 0.00 N ATOM 258 CA SER A 17 75.932 -6.018 32.135 1.00 0.00 C ATOM 259 C SER A 17 76.078 -6.335 30.644 1.00 0.00 C ATOM 260 O SER A 17 76.550 -7.392 30.274 1.00 0.00 O ATOM 261 CB SER A 17 74.937 -6.997 32.757 1.00 0.00 C ATOM 262 OG SER A 17 74.810 -6.723 34.145 1.00 0.00 O ATOM 0 H SER A 17 74.426 -4.538 32.449 1.00 0.00 H new ATOM 0 HA SER A 17 76.906 -6.113 32.616 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.967 -6.907 32.267 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.276 -8.022 32.607 1.00 0.00 H new ATOM 0 HG SER A 17 74.171 -7.349 34.545 1.00 0.00 H new ATOM 268 N ASN A 18 75.669 -5.446 29.781 1.00 0.00 N ATOM 269 CA ASN A 18 75.779 -5.732 28.321 1.00 0.00 C ATOM 270 C ASN A 18 77.209 -5.467 27.848 1.00 0.00 C ATOM 271 O ASN A 18 77.506 -4.432 27.285 1.00 0.00 O ATOM 272 CB ASN A 18 74.821 -4.822 27.551 1.00 0.00 C ATOM 273 CG ASN A 18 73.379 -5.239 27.836 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.127 -6.350 28.259 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.415 -4.388 27.624 1.00 0.00 N ATOM 0 H ASN A 18 75.266 -4.540 30.020 1.00 0.00 H new ATOM 0 HA ASN A 18 75.524 -6.776 28.141 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.975 -3.784 27.844 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.024 -4.885 26.482 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.449 -4.654 27.813 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.627 -3.456 27.269 1.00 0.00 H new ATOM 282 N TRP A 19 78.097 -6.401 28.058 1.00 0.00 N ATOM 283 CA TRP A 19 79.501 -6.204 27.605 1.00 0.00 C ATOM 284 C TRP A 19 79.547 -6.254 26.077 1.00 0.00 C ATOM 285 O TRP A 19 80.444 -5.720 25.455 1.00 0.00 O ATOM 286 CB TRP A 19 80.393 -7.307 28.184 1.00 0.00 C ATOM 287 CG TRP A 19 79.911 -8.645 27.721 1.00 0.00 C ATOM 288 CD1 TRP A 19 79.079 -9.452 28.417 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.212 -9.342 26.477 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.854 -10.603 27.685 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.529 -10.581 26.480 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.002 -9.023 25.357 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.628 -11.474 25.412 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.104 -9.919 24.281 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.418 -11.142 24.308 1.00 0.00 C ATOM 0 H TRP A 19 77.910 -7.290 28.523 1.00 0.00 H new ATOM 0 HA TRP A 19 79.863 -5.236 27.951 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.426 -7.154 27.870 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.381 -7.263 29.273 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.658 -9.233 29.387 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.263 -11.373 27.996 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.533 -8.083 25.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.098 -12.415 25.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.715 -9.665 23.427 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.500 -11.826 23.477 1.00 0.00 H new ATOM 306 N ARG A 20 78.588 -6.896 25.468 1.00 0.00 N ATOM 307 CA ARG A 20 78.577 -6.985 23.980 1.00 0.00 C ATOM 308 C ARG A 20 78.504 -5.582 23.378 1.00 0.00 C ATOM 309 O ARG A 20 79.148 -5.284 22.393 1.00 0.00 O ATOM 310 CB ARG A 20 77.360 -7.788 23.526 1.00 0.00 C ATOM 311 CG ARG A 20 77.548 -9.256 23.909 1.00 0.00 C ATOM 312 CD ARG A 20 76.336 -10.064 23.449 1.00 0.00 C ATOM 313 NE ARG A 20 76.473 -11.468 23.924 1.00 0.00 N ATOM 314 CZ ARG A 20 75.446 -12.270 23.899 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.295 -11.843 23.453 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.567 -13.500 24.321 1.00 0.00 N ATOM 0 H ARG A 20 77.811 -7.363 25.936 1.00 0.00 H new ATOM 0 HA ARG A 20 79.490 -7.478 23.645 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.456 -7.393 23.990 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.231 -7.696 22.448 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.455 -9.649 23.450 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.671 -9.348 24.988 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.420 -9.623 23.842 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.260 -10.041 22.362 1.00 0.00 H new ATOM 0 HE ARG A 20 77.372 -11.803 24.270 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.200 -10.882 23.124 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.491 -12.470 23.433 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.466 -13.833 24.670 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.763 -14.127 24.301 1.00 0.00 H new ATOM 330 N ALA A 21 77.723 -4.717 23.963 1.00 0.00 N ATOM 331 CA ALA A 21 77.613 -3.336 23.420 1.00 0.00 C ATOM 332 C ALA A 21 78.968 -2.640 23.558 1.00 0.00 C ATOM 333 O ALA A 21 79.412 -1.937 22.672 1.00 0.00 O ATOM 334 CB ALA A 21 76.548 -2.563 24.208 1.00 0.00 C ATOM 0 H ALA A 21 77.158 -4.906 24.791 1.00 0.00 H new ATOM 0 HA ALA A 21 77.325 -3.370 22.369 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.466 -1.551 23.812 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.587 -3.069 24.114 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.833 -2.519 25.259 1.00 0.00 H new ATOM 340 N MET A 22 79.631 -2.841 24.662 1.00 0.00 N ATOM 341 CA MET A 22 80.962 -2.204 24.862 1.00 0.00 C ATOM 342 C MET A 22 81.930 -2.685 23.778 1.00 0.00 C ATOM 343 O MET A 22 82.611 -1.906 23.147 1.00 0.00 O ATOM 344 CB MET A 22 81.509 -2.603 26.234 1.00 0.00 C ATOM 345 CG MET A 22 82.750 -1.768 26.559 1.00 0.00 C ATOM 346 SD MET A 22 83.619 -2.503 27.966 1.00 0.00 S ATOM 347 CE MET A 22 82.234 -2.505 29.127 1.00 0.00 C ATOM 0 H MET A 22 79.308 -3.421 25.437 1.00 0.00 H new ATOM 0 HA MET A 22 80.858 -1.121 24.803 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.747 -2.451 26.998 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.761 -3.664 26.241 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.410 -1.725 25.692 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.461 -0.743 26.791 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.615 -2.473 30.148 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.606 -1.632 28.946 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.644 -3.411 28.988 1.00 0.00 H new ATOM 357 N ALA A 23 82.002 -3.968 23.566 1.00 0.00 N ATOM 358 CA ALA A 23 82.938 -4.507 22.539 1.00 0.00 C ATOM 359 C ALA A 23 82.651 -3.868 21.173 1.00 0.00 C ATOM 360 O ALA A 23 83.553 -3.593 20.409 1.00 0.00 O ATOM 361 CB ALA A 23 82.757 -6.023 22.438 1.00 0.00 C ATOM 0 H ALA A 23 81.452 -4.670 24.061 1.00 0.00 H new ATOM 0 HA ALA A 23 83.962 -4.273 22.832 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.440 -6.422 21.688 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.972 -6.480 23.404 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.730 -6.248 22.150 1.00 0.00 H new ATOM 367 N SER A 24 81.405 -3.652 20.850 1.00 0.00 N ATOM 368 CA SER A 24 81.072 -3.057 19.523 1.00 0.00 C ATOM 369 C SER A 24 81.574 -1.611 19.432 1.00 0.00 C ATOM 370 O SER A 24 82.075 -1.186 18.408 1.00 0.00 O ATOM 371 CB SER A 24 79.556 -3.077 19.327 1.00 0.00 C ATOM 372 OG SER A 24 79.241 -2.573 18.035 1.00 0.00 O ATOM 0 H SER A 24 80.604 -3.861 21.446 1.00 0.00 H new ATOM 0 HA SER A 24 81.560 -3.645 18.746 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.177 -4.093 19.435 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.071 -2.473 20.094 1.00 0.00 H new ATOM 0 HG SER A 24 78.270 -2.586 17.907 1.00 0.00 H new ATOM 378 N ASP A 25 81.440 -0.847 20.480 1.00 0.00 N ATOM 379 CA ASP A 25 81.907 0.571 20.426 1.00 0.00 C ATOM 380 C ASP A 25 83.435 0.637 20.392 1.00 0.00 C ATOM 381 O ASP A 25 84.012 1.442 19.689 1.00 0.00 O ATOM 382 CB ASP A 25 81.392 1.327 21.652 1.00 0.00 C ATOM 383 CG ASP A 25 79.878 1.520 21.533 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.371 1.403 20.431 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.254 1.783 22.546 1.00 0.00 O ATOM 0 H ASP A 25 81.030 -1.138 21.367 1.00 0.00 H new ATOM 0 HA ASP A 25 81.517 1.030 19.517 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.629 0.773 22.560 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.888 2.295 21.731 1.00 0.00 H new ATOM 390 N PHE A 26 84.098 -0.198 21.145 1.00 0.00 N ATOM 391 CA PHE A 26 85.594 -0.175 21.157 1.00 0.00 C ATOM 392 C PHE A 26 86.128 -1.208 20.159 1.00 0.00 C ATOM 393 O PHE A 26 87.317 -1.305 19.929 1.00 0.00 O ATOM 394 CB PHE A 26 86.094 -0.513 22.565 1.00 0.00 C ATOM 395 CG PHE A 26 85.771 0.628 23.505 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.539 0.656 24.170 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.701 1.653 23.719 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.236 1.705 25.044 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.397 2.704 24.594 1.00 0.00 C ATOM 400 CZ PHE A 26 85.165 2.728 25.256 1.00 0.00 C ATOM 0 H PHE A 26 83.671 -0.896 21.754 1.00 0.00 H new ATOM 0 HA PHE A 26 85.948 0.816 20.874 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.625 -1.432 22.918 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.169 -0.690 22.547 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.821 -0.134 24.008 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.653 1.633 23.209 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.285 1.725 25.555 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.114 3.495 24.757 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.931 3.538 25.932 1.00 0.00 H new ATOM 410 N ASN A 27 85.257 -1.973 19.556 1.00 0.00 N ATOM 411 CA ASN A 27 85.712 -2.992 18.566 1.00 0.00 C ATOM 412 C ASN A 27 86.805 -3.872 19.178 1.00 0.00 C ATOM 413 O ASN A 27 87.843 -4.082 18.581 1.00 0.00 O ATOM 414 CB ASN A 27 86.265 -2.287 17.325 1.00 0.00 C ATOM 415 CG ASN A 27 85.170 -1.422 16.696 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.370 -0.248 16.454 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.012 -1.957 16.418 1.00 0.00 N ATOM 0 H ASN A 27 84.249 -1.936 19.707 1.00 0.00 H new ATOM 0 HA ASN A 27 84.864 -3.618 18.288 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.120 -1.668 17.597 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.620 -3.023 16.604 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.276 -1.390 15.998 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.844 -2.942 16.621 1.00 0.00 H new ATOM 424 N LEU A 28 86.578 -4.393 20.363 1.00 0.00 N ATOM 425 CA LEU A 28 87.601 -5.271 21.026 1.00 0.00 C ATOM 426 C LEU A 28 87.014 -6.683 21.202 1.00 0.00 C ATOM 427 O LEU A 28 85.811 -6.849 21.162 1.00 0.00 O ATOM 428 CB LEU A 28 87.930 -4.705 22.410 1.00 0.00 C ATOM 429 CG LEU A 28 88.714 -3.390 22.275 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.667 -2.637 23.609 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.181 -3.674 21.896 1.00 0.00 C ATOM 0 H LEU A 28 85.725 -4.248 20.902 1.00 0.00 H new ATOM 0 HA LEU A 28 88.501 -5.310 20.413 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.010 -4.532 22.968 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.515 -5.429 22.977 1.00 0.00 H new ATOM 0 HG LEU A 28 88.261 -2.785 21.489 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.222 -1.703 23.519 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.631 -2.420 23.868 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.115 -3.252 24.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.722 -2.732 21.804 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.645 -4.285 22.670 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.215 -4.206 20.945 1.00 0.00 H new ATOM 443 N PRO A 29 87.830 -7.704 21.411 1.00 0.00 N ATOM 444 CA PRO A 29 87.309 -9.089 21.608 1.00 0.00 C ATOM 445 C PRO A 29 86.601 -9.221 22.965 1.00 0.00 C ATOM 446 O PRO A 29 86.814 -8.424 23.857 1.00 0.00 O ATOM 447 CB PRO A 29 88.560 -10.000 21.549 1.00 0.00 C ATOM 448 CG PRO A 29 89.708 -9.114 21.151 1.00 0.00 C ATOM 449 CD PRO A 29 89.305 -7.677 21.492 1.00 0.00 C ATOM 0 HA PRO A 29 86.571 -9.358 20.852 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.747 -10.468 22.516 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.421 -10.805 20.827 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.616 -9.397 21.684 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.920 -9.213 20.086 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.647 -7.389 22.486 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.733 -6.963 20.789 1.00 0.00 H new ATOM 457 N PRO A 30 85.776 -10.219 23.124 1.00 0.00 N ATOM 458 CA PRO A 30 85.044 -10.449 24.403 1.00 0.00 C ATOM 459 C PRO A 30 86.017 -10.576 25.586 1.00 0.00 C ATOM 460 O PRO A 30 85.647 -10.404 26.730 1.00 0.00 O ATOM 461 CB PRO A 30 84.266 -11.764 24.164 1.00 0.00 C ATOM 462 CG PRO A 30 84.891 -12.387 22.949 1.00 0.00 C ATOM 463 CD PRO A 30 85.453 -11.236 22.117 1.00 0.00 C ATOM 0 HA PRO A 30 84.384 -9.621 24.661 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.341 -12.426 25.027 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.206 -11.569 24.003 1.00 0.00 H new ATOM 0 HG2 PRO A 30 85.680 -13.084 23.232 1.00 0.00 H new ATOM 0 HG3 PRO A 30 84.154 -12.954 22.380 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.336 -11.540 21.554 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.725 -10.869 21.394 1.00 0.00 H new ATOM 471 N VAL A 31 87.257 -10.881 25.312 1.00 0.00 N ATOM 472 CA VAL A 31 88.259 -11.025 26.407 1.00 0.00 C ATOM 473 C VAL A 31 88.381 -9.711 27.187 1.00 0.00 C ATOM 474 O VAL A 31 88.340 -9.694 28.401 1.00 0.00 O ATOM 475 CB VAL A 31 89.621 -11.384 25.793 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.726 -11.297 26.855 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.565 -12.810 25.245 1.00 0.00 C ATOM 0 H VAL A 31 87.621 -11.037 24.372 1.00 0.00 H new ATOM 0 HA VAL A 31 87.938 -11.812 27.090 1.00 0.00 H new ATOM 0 HB VAL A 31 89.843 -10.681 24.991 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.685 -11.554 26.405 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.771 -10.282 27.251 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.508 -11.993 27.665 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.529 -13.070 24.808 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.335 -13.502 26.055 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.791 -12.876 24.481 1.00 0.00 H new ATOM 487 N VAL A 32 88.561 -8.616 26.503 1.00 0.00 N ATOM 488 CA VAL A 32 88.718 -7.314 27.211 1.00 0.00 C ATOM 489 C VAL A 32 87.386 -6.844 27.806 1.00 0.00 C ATOM 490 O VAL A 32 87.333 -6.390 28.930 1.00 0.00 O ATOM 491 CB VAL A 32 89.234 -6.261 26.231 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.395 -4.927 26.961 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.588 -6.705 25.674 1.00 0.00 C ATOM 0 H VAL A 32 88.606 -8.566 25.485 1.00 0.00 H new ATOM 0 HA VAL A 32 89.430 -7.450 28.025 1.00 0.00 H new ATOM 0 HB VAL A 32 88.525 -6.145 25.411 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.763 -4.173 26.265 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.431 -4.612 27.360 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.106 -5.043 27.779 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.957 -5.955 24.975 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.299 -6.819 26.493 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.474 -7.658 25.157 1.00 0.00 H new ATOM 503 N ALA A 33 86.313 -6.927 27.066 1.00 0.00 N ATOM 504 CA ALA A 33 85.006 -6.455 27.612 1.00 0.00 C ATOM 505 C ALA A 33 84.650 -7.246 28.870 1.00 0.00 C ATOM 506 O ALA A 33 84.305 -6.686 29.892 1.00 0.00 O ATOM 507 CB ALA A 33 83.907 -6.624 26.555 1.00 0.00 C ATOM 0 H ALA A 33 86.283 -7.297 26.116 1.00 0.00 H new ATOM 0 HA ALA A 33 85.089 -5.399 27.871 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.956 -6.278 26.960 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.159 -6.039 25.671 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.823 -7.676 26.282 1.00 0.00 H new ATOM 513 N LYS A 34 84.741 -8.541 28.810 1.00 0.00 N ATOM 514 CA LYS A 34 84.417 -9.363 30.008 1.00 0.00 C ATOM 515 C LYS A 34 85.352 -8.976 31.154 1.00 0.00 C ATOM 516 O LYS A 34 84.952 -8.904 32.300 1.00 0.00 O ATOM 517 CB LYS A 34 84.606 -10.842 29.669 1.00 0.00 C ATOM 518 CG LYS A 34 83.508 -11.281 28.697 1.00 0.00 C ATOM 519 CD LYS A 34 83.685 -12.760 28.349 1.00 0.00 C ATOM 520 CE LYS A 34 82.583 -13.188 27.377 1.00 0.00 C ATOM 521 NZ LYS A 34 82.934 -14.504 26.773 1.00 0.00 N ATOM 0 H LYS A 34 85.025 -9.068 27.984 1.00 0.00 H new ATOM 0 HA LYS A 34 83.384 -9.187 30.308 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.588 -11.003 29.224 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.566 -11.443 30.577 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.527 -11.118 29.144 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.549 -10.677 27.790 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.665 -12.925 27.901 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.642 -13.366 29.254 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.630 -13.259 27.901 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.462 -12.438 26.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.185 -14.794 26.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.835 -14.421 26.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.028 -15.217 27.524 1.00 0.00 H new ATOM 535 N GLU A 35 86.598 -8.744 30.854 1.00 0.00 N ATOM 536 CA GLU A 35 87.571 -8.379 31.920 1.00 0.00 C ATOM 537 C GLU A 35 87.173 -7.055 32.579 1.00 0.00 C ATOM 538 O GLU A 35 87.275 -6.903 33.780 1.00 0.00 O ATOM 539 CB GLU A 35 88.962 -8.234 31.304 1.00 0.00 C ATOM 540 CG GLU A 35 90.016 -8.146 32.411 1.00 0.00 C ATOM 541 CD GLU A 35 89.981 -6.764 33.067 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.491 -5.841 32.437 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.444 -6.652 34.189 1.00 0.00 O ATOM 0 H GLU A 35 86.986 -8.792 29.912 1.00 0.00 H new ATOM 0 HA GLU A 35 87.575 -9.164 32.677 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.173 -9.085 30.656 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.002 -7.341 30.680 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.832 -8.917 33.160 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.006 -8.334 31.996 1.00 0.00 H new ATOM 550 N ILE A 36 86.720 -6.095 31.818 1.00 0.00 N ATOM 551 CA ILE A 36 86.326 -4.797 32.438 1.00 0.00 C ATOM 552 C ILE A 36 85.203 -5.072 33.438 1.00 0.00 C ATOM 553 O ILE A 36 85.194 -4.560 34.540 1.00 0.00 O ATOM 554 CB ILE A 36 85.851 -3.827 31.354 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.030 -3.483 30.436 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.338 -2.543 32.007 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.521 -2.731 29.202 1.00 0.00 C ATOM 0 H ILE A 36 86.607 -6.151 30.806 1.00 0.00 H new ATOM 0 HA ILE A 36 87.176 -4.344 32.949 1.00 0.00 H new ATOM 0 HB ILE A 36 85.051 -4.290 30.777 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.755 -2.872 30.973 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.545 -4.394 30.132 1.00 0.00 H new ATOM 0 HG21 ILE A 36 85.000 -1.852 31.235 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.507 -2.780 32.672 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.141 -2.081 32.581 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.361 -2.488 28.552 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.813 -3.358 28.660 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.026 -1.811 29.515 1.00 0.00 H new ATOM 569 N VAL A 37 84.280 -5.918 33.072 1.00 0.00 N ATOM 570 CA VAL A 37 83.178 -6.280 34.004 1.00 0.00 C ATOM 571 C VAL A 37 83.790 -7.022 35.194 1.00 0.00 C ATOM 572 O VAL A 37 83.410 -6.826 36.331 1.00 0.00 O ATOM 573 CB VAL A 37 82.179 -7.182 33.268 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.188 -7.785 34.264 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.412 -6.350 32.229 1.00 0.00 C ATOM 0 H VAL A 37 84.243 -6.376 32.161 1.00 0.00 H new ATOM 0 HA VAL A 37 82.654 -5.391 34.356 1.00 0.00 H new ATOM 0 HB VAL A 37 82.722 -7.986 32.771 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.482 -8.424 33.733 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.729 -8.377 35.003 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.645 -6.985 34.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.701 -6.989 31.704 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.875 -5.546 32.732 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.115 -5.925 31.513 1.00 0.00 H new ATOM 585 N ALA A 38 84.746 -7.872 34.932 1.00 0.00 N ATOM 586 CA ALA A 38 85.407 -8.634 36.030 1.00 0.00 C ATOM 587 C ALA A 38 86.072 -7.664 37.015 1.00 0.00 C ATOM 588 O ALA A 38 86.324 -8.004 38.154 1.00 0.00 O ATOM 589 CB ALA A 38 86.470 -9.563 35.437 1.00 0.00 C ATOM 0 H ALA A 38 85.100 -8.073 33.997 1.00 0.00 H new ATOM 0 HA ALA A 38 84.657 -9.222 36.558 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.954 -10.121 36.239 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.999 -10.260 34.744 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.215 -8.971 34.906 1.00 0.00 H new ATOM 595 N SER A 39 86.370 -6.462 36.590 1.00 0.00 N ATOM 596 CA SER A 39 87.031 -5.486 37.514 1.00 0.00 C ATOM 597 C SER A 39 85.963 -4.651 38.219 1.00 0.00 C ATOM 598 O SER A 39 86.074 -4.352 39.391 1.00 0.00 O ATOM 599 CB SER A 39 87.945 -4.558 36.709 1.00 0.00 C ATOM 600 OG SER A 39 88.940 -5.331 36.050 1.00 0.00 O ATOM 0 H SER A 39 86.186 -6.114 35.649 1.00 0.00 H new ATOM 0 HA SER A 39 87.620 -6.029 38.253 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.361 -3.998 35.979 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.414 -3.828 37.369 1.00 0.00 H new ATOM 0 HG SER A 39 88.526 -5.854 35.332 1.00 0.00 H new ATOM 606 N CYS A 40 84.922 -4.289 37.525 1.00 0.00 N ATOM 607 CA CYS A 40 83.845 -3.493 38.174 1.00 0.00 C ATOM 608 C CYS A 40 83.282 -4.301 39.345 1.00 0.00 C ATOM 609 O CYS A 40 82.912 -5.445 39.189 1.00 0.00 O ATOM 610 CB CYS A 40 82.733 -3.218 37.162 1.00 0.00 C ATOM 611 SG CYS A 40 81.497 -2.124 37.906 1.00 0.00 S ATOM 0 H CYS A 40 84.770 -4.509 36.541 1.00 0.00 H new ATOM 0 HA CYS A 40 84.245 -2.544 38.532 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.148 -2.758 36.265 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.267 -4.154 36.854 1.00 0.00 H new ATOM 616 N ASP A 41 83.219 -3.727 40.516 1.00 0.00 N ATOM 617 CA ASP A 41 82.686 -4.489 41.682 1.00 0.00 C ATOM 618 C ASP A 41 81.156 -4.534 41.637 1.00 0.00 C ATOM 619 O ASP A 41 80.544 -5.443 42.162 1.00 0.00 O ATOM 620 CB ASP A 41 83.133 -3.824 42.986 1.00 0.00 C ATOM 621 CG ASP A 41 84.637 -4.031 43.182 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.192 -4.876 42.500 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.208 -3.340 44.009 1.00 0.00 O ATOM 0 H ASP A 41 83.511 -2.770 40.715 1.00 0.00 H new ATOM 0 HA ASP A 41 83.074 -5.506 41.637 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.903 -2.759 42.960 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.585 -4.247 43.828 1.00 0.00 H new ATOM 628 N LYS A 42 80.528 -3.563 41.033 1.00 0.00 N ATOM 629 CA LYS A 42 79.036 -3.571 40.987 1.00 0.00 C ATOM 630 C LYS A 42 78.545 -4.641 40.006 1.00 0.00 C ATOM 631 O LYS A 42 77.583 -5.335 40.267 1.00 0.00 O ATOM 632 CB LYS A 42 78.527 -2.199 40.535 1.00 0.00 C ATOM 633 CG LYS A 42 78.989 -1.108 41.514 1.00 0.00 C ATOM 634 CD LYS A 42 78.273 -1.258 42.865 1.00 0.00 C ATOM 635 CE LYS A 42 78.363 0.057 43.645 1.00 0.00 C ATOM 636 NZ LYS A 42 77.613 1.121 42.920 1.00 0.00 N ATOM 0 H LYS A 42 80.977 -2.771 40.573 1.00 0.00 H new ATOM 0 HA LYS A 42 78.654 -3.794 41.983 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.897 -1.978 39.534 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.439 -2.208 40.478 1.00 0.00 H new ATOM 0 HG2 LYS A 42 80.067 -1.174 41.658 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.783 -0.123 41.094 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.229 -1.527 42.706 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.726 -2.065 43.440 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.952 -0.074 44.646 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.406 0.350 43.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.223 1.799 43.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.256 1.617 42.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.837 0.691 42.378 1.00 0.00 H new ATOM 650 N CYS A 43 79.192 -4.784 38.880 1.00 0.00 N ATOM 651 CA CYS A 43 78.749 -5.812 37.890 1.00 0.00 C ATOM 652 C CYS A 43 79.387 -7.165 38.222 1.00 0.00 C ATOM 653 O CYS A 43 79.157 -8.149 37.549 1.00 0.00 O ATOM 654 CB CYS A 43 79.154 -5.381 36.480 1.00 0.00 C ATOM 655 SG CYS A 43 78.279 -3.856 36.043 1.00 0.00 S ATOM 0 H CYS A 43 80.006 -4.236 38.602 1.00 0.00 H new ATOM 0 HA CYS A 43 77.664 -5.908 37.938 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.231 -5.222 36.432 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.916 -6.168 35.765 1.00 0.00 H new ATOM 660 N GLN A 44 80.199 -7.221 39.245 1.00 0.00 N ATOM 661 CA GLN A 44 80.861 -8.511 39.599 1.00 0.00 C ATOM 662 C GLN A 44 79.835 -9.504 40.158 1.00 0.00 C ATOM 663 O GLN A 44 79.642 -10.577 39.622 1.00 0.00 O ATOM 664 CB GLN A 44 81.930 -8.244 40.664 1.00 0.00 C ATOM 665 CG GLN A 44 82.754 -9.511 40.911 1.00 0.00 C ATOM 666 CD GLN A 44 83.634 -9.783 39.693 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.754 -10.909 39.252 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.262 -8.790 39.126 1.00 0.00 N ATOM 0 H GLN A 44 80.432 -6.432 39.849 1.00 0.00 H new ATOM 0 HA GLN A 44 81.313 -8.937 38.703 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.583 -7.434 40.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.458 -7.921 41.592 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.372 -9.390 41.801 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.094 -10.359 41.094 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.161 -7.845 39.496 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.854 -8.959 38.312 1.00 0.00 H new ATOM 677 N LEU A 45 79.185 -9.159 41.235 1.00 0.00 N ATOM 678 CA LEU A 45 78.177 -10.085 41.840 1.00 0.00 C ATOM 679 C LEU A 45 76.792 -9.786 41.260 1.00 0.00 C ATOM 680 O LEU A 45 76.397 -8.643 41.136 1.00 0.00 O ATOM 681 CB LEU A 45 78.148 -9.880 43.358 1.00 0.00 C ATOM 682 CG LEU A 45 79.550 -10.098 43.949 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.508 -9.823 45.455 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.011 -11.546 43.705 1.00 0.00 C ATOM 0 H LEU A 45 79.307 -8.273 41.726 1.00 0.00 H new ATOM 0 HA LEU A 45 78.449 -11.116 41.614 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.800 -8.873 43.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.441 -10.574 43.813 1.00 0.00 H new ATOM 0 HG LEU A 45 80.252 -9.418 43.466 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.500 -9.976 45.881 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.193 -8.794 45.628 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.801 -10.503 45.929 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.005 -11.687 44.128 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.313 -12.235 44.180 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.042 -11.742 42.633 1.00 0.00 H new ATOM 696 N LYS A 46 76.048 -10.801 40.909 1.00 0.00 N ATOM 697 CA LYS A 46 74.688 -10.567 40.344 1.00 0.00 C ATOM 698 C LYS A 46 73.699 -10.306 41.483 1.00 0.00 C ATOM 699 O LYS A 46 72.570 -9.917 41.259 1.00 0.00 O ATOM 700 CB LYS A 46 74.237 -11.798 39.555 1.00 0.00 C ATOM 701 CG LYS A 46 75.129 -11.972 38.326 1.00 0.00 C ATOM 702 CD LYS A 46 74.676 -13.202 37.538 1.00 0.00 C ATOM 703 CE LYS A 46 75.566 -13.378 36.308 1.00 0.00 C ATOM 704 NZ LYS A 46 76.960 -13.676 36.742 1.00 0.00 N ATOM 0 H LYS A 46 76.323 -11.780 40.989 1.00 0.00 H new ATOM 0 HA LYS A 46 74.719 -9.703 39.680 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.290 -12.686 40.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.197 -11.686 39.249 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.076 -11.084 37.696 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.169 -12.085 38.631 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.729 -14.090 38.168 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.636 -13.089 37.234 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.187 -14.188 35.685 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.548 -12.473 35.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 77.480 -14.121 35.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 77.435 -12.792 37.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.939 -14.323 37.556 1.00 0.00 H new ATOM 718 N GLY A 47 74.112 -10.520 42.703 1.00 0.00 N ATOM 719 CA GLY A 47 73.190 -10.284 43.850 1.00 0.00 C ATOM 720 C GLY A 47 73.944 -10.481 45.166 1.00 0.00 C ATOM 721 O GLY A 47 75.013 -11.060 45.202 1.00 0.00 O ATOM 0 H GLY A 47 75.045 -10.847 42.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.783 -9.274 43.800 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.345 -10.971 43.797 1.00 0.00 H new ATOM 725 N GLU A 48 73.398 -9.996 46.248 1.00 0.00 N ATOM 726 CA GLU A 48 74.081 -10.142 47.564 1.00 0.00 C ATOM 727 C GLU A 48 73.909 -11.573 48.082 1.00 0.00 C ATOM 728 O GLU A 48 74.821 -12.153 48.637 1.00 0.00 O ATOM 729 CB GLU A 48 73.462 -9.156 48.559 1.00 0.00 C ATOM 730 CG GLU A 48 74.186 -9.247 49.906 1.00 0.00 C ATOM 731 CD GLU A 48 73.564 -8.246 50.881 1.00 0.00 C ATOM 732 OE1 GLU A 48 72.756 -7.443 50.441 1.00 0.00 O ATOM 733 OE2 GLU A 48 73.910 -8.295 52.050 1.00 0.00 O ATOM 0 H GLU A 48 72.505 -9.503 46.277 1.00 0.00 H new ATOM 0 HA GLU A 48 75.144 -9.932 47.450 1.00 0.00 H new ATOM 0 HB2 GLU A 48 73.530 -8.141 48.168 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.403 -9.376 48.691 1.00 0.00 H new ATOM 0 HG2 GLU A 48 74.109 -10.258 50.306 1.00 0.00 H new ATOM 0 HG3 GLU A 48 75.247 -9.035 49.777 1.00 0.00 H new ATOM 740 N ALA A 49 72.747 -12.141 47.908 1.00 0.00 N ATOM 741 CA ALA A 49 72.510 -13.533 48.392 1.00 0.00 C ATOM 742 C ALA A 49 72.391 -13.522 49.921 1.00 0.00 C ATOM 743 O ALA A 49 73.290 -13.095 50.616 1.00 0.00 O ATOM 744 CB ALA A 49 73.676 -14.440 47.955 1.00 0.00 C ATOM 0 H ALA A 49 71.949 -11.701 47.450 1.00 0.00 H new ATOM 0 HA ALA A 49 71.586 -13.920 47.963 1.00 0.00 H new ATOM 0 HB1 ALA A 49 73.500 -15.455 48.310 1.00 0.00 H new ATOM 0 HB2 ALA A 49 73.747 -14.443 46.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.608 -14.064 48.378 1.00 0.00 H new ATOM 750 N MET A 50 71.291 -13.989 50.451 1.00 0.00 N ATOM 751 CA MET A 50 71.132 -13.996 51.934 1.00 0.00 C ATOM 752 C MET A 50 70.057 -15.008 52.336 1.00 0.00 C ATOM 753 O MET A 50 70.257 -15.822 53.215 1.00 0.00 O ATOM 754 CB MET A 50 70.725 -12.600 52.411 1.00 0.00 C ATOM 755 CG MET A 50 70.911 -12.504 53.927 1.00 0.00 C ATOM 756 SD MET A 50 70.439 -10.848 54.498 1.00 0.00 S ATOM 757 CE MET A 50 68.643 -11.074 54.476 1.00 0.00 C ATOM 0 H MET A 50 70.501 -14.363 49.925 1.00 0.00 H new ATOM 0 HA MET A 50 72.079 -14.277 52.395 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.329 -11.843 51.911 1.00 0.00 H new ATOM 0 HB3 MET A 50 69.686 -12.403 52.148 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.303 -13.258 54.426 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.949 -12.707 54.189 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.188 -10.308 53.848 1.00 0.00 H new ATOM 0 HE2 MET A 50 68.405 -12.060 54.076 1.00 0.00 H new ATOM 0 HE3 MET A 50 68.253 -10.990 55.491 1.00 0.00 H new ATOM 767 N HIS A 51 68.919 -14.967 51.700 1.00 0.00 N ATOM 768 CA HIS A 51 67.833 -15.932 52.051 1.00 0.00 C ATOM 769 C HIS A 51 68.044 -17.233 51.274 1.00 0.00 C ATOM 770 O HIS A 51 68.171 -17.230 50.066 1.00 0.00 O ATOM 771 CB HIS A 51 66.474 -15.334 51.679 1.00 0.00 C ATOM 772 CG HIS A 51 65.378 -16.148 52.311 1.00 0.00 C ATOM 773 ND1 HIS A 51 64.771 -17.213 51.658 1.00 0.00 N ATOM 774 CD2 HIS A 51 64.772 -16.069 53.541 1.00 0.00 C ATOM 775 CE1 HIS A 51 63.847 -17.726 52.492 1.00 0.00 C ATOM 776 NE2 HIS A 51 63.809 -17.065 53.649 1.00 0.00 N ATOM 0 H HIS A 51 68.692 -14.310 50.954 1.00 0.00 H new ATOM 0 HA HIS A 51 67.858 -16.134 53.122 1.00 0.00 H new ATOM 0 HB2 HIS A 51 66.415 -14.300 52.018 1.00 0.00 H new ATOM 0 HB3 HIS A 51 66.354 -15.322 50.596 1.00 0.00 H new ATOM 0 HD2 HIS A 51 65.008 -15.344 54.306 1.00 0.00 H new ATOM 0 HE1 HIS A 51 63.215 -18.569 52.253 1.00 0.00 H new ATOM 0 HE2 HIS A 51 63.201 -17.251 54.446 1.00 0.00 H new ATOM 785 N GLY A 52 68.085 -18.346 51.956 1.00 0.00 N ATOM 786 CA GLY A 52 68.290 -19.644 51.250 1.00 0.00 C ATOM 787 C GLY A 52 68.886 -20.668 52.217 1.00 0.00 C ATOM 788 O GLY A 52 69.945 -21.212 51.978 1.00 0.00 O ATOM 0 H GLY A 52 67.986 -18.413 52.969 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.341 -20.009 50.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.955 -19.504 50.398 1.00 0.00 H new ATOM 792 N GLN A 53 68.220 -20.939 53.307 1.00 0.00 N ATOM 793 CA GLN A 53 68.763 -21.933 54.275 1.00 0.00 C ATOM 794 C GLN A 53 68.443 -23.341 53.773 1.00 0.00 C ATOM 795 O GLN A 53 67.447 -23.562 53.114 1.00 0.00 O ATOM 796 CB GLN A 53 68.124 -21.724 55.649 1.00 0.00 C ATOM 797 CG GLN A 53 68.592 -20.388 56.231 1.00 0.00 C ATOM 798 CD GLN A 53 67.954 -20.176 57.605 1.00 0.00 C ATOM 799 OE1 GLN A 53 66.901 -20.870 57.938 1.00 0.00 O flip ATOM 800 NE2 GLN A 53 68.421 -19.370 58.386 1.00 0.00 N flip ATOM 0 H GLN A 53 67.328 -20.517 53.568 1.00 0.00 H new ATOM 0 HA GLN A 53 69.842 -21.805 54.362 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.038 -21.734 55.562 1.00 0.00 H new ATOM 0 HB3 GLN A 53 68.398 -22.540 56.317 1.00 0.00 H new ATOM 0 HG2 GLN A 53 69.678 -20.378 56.318 1.00 0.00 H new ATOM 0 HG3 GLN A 53 68.318 -19.572 55.562 1.00 0.00 H new ATOM 0 HE21 GLN A 53 69.244 -18.827 58.127 1.00 0.00 H new ATOM 0 HE22 GLN A 53 67.989 -19.237 59.301 1.00 0.00 H new ATOM 809 N VAL A 54 69.280 -24.297 54.080 1.00 0.00 N ATOM 810 CA VAL A 54 69.030 -25.698 53.624 1.00 0.00 C ATOM 811 C VAL A 54 68.370 -26.492 54.754 1.00 0.00 C ATOM 812 O VAL A 54 68.781 -26.426 55.896 1.00 0.00 O ATOM 813 CB VAL A 54 70.366 -26.347 53.247 1.00 0.00 C ATOM 814 CG1 VAL A 54 70.821 -25.823 51.882 1.00 0.00 C ATOM 815 CG2 VAL A 54 71.418 -25.992 54.300 1.00 0.00 C ATOM 0 H VAL A 54 70.130 -24.168 54.629 1.00 0.00 H new ATOM 0 HA VAL A 54 68.369 -25.693 52.757 1.00 0.00 H new ATOM 0 HB VAL A 54 70.244 -27.429 53.201 1.00 0.00 H new ATOM 0 HG11 VAL A 54 71.771 -26.284 51.613 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.072 -26.070 51.129 1.00 0.00 H new ATOM 0 HG13 VAL A 54 70.944 -24.741 51.930 1.00 0.00 H new ATOM 0 HG21 VAL A 54 72.369 -26.453 54.034 1.00 0.00 H new ATOM 0 HG22 VAL A 54 71.539 -24.910 54.343 1.00 0.00 H new ATOM 0 HG23 VAL A 54 71.097 -26.360 55.274 1.00 0.00 H new ATOM 825 N ASP A 55 67.340 -27.236 54.448 1.00 0.00 N ATOM 826 CA ASP A 55 66.647 -28.031 55.503 1.00 0.00 C ATOM 827 C ASP A 55 66.024 -29.279 54.875 1.00 0.00 C ATOM 828 O ASP A 55 64.806 -29.354 54.835 1.00 0.00 O ATOM 829 CB ASP A 55 65.547 -27.177 56.141 1.00 0.00 C ATOM 830 CG ASP A 55 64.948 -27.921 57.334 1.00 0.00 C ATOM 831 OD1 ASP A 55 65.089 -29.133 57.384 1.00 0.00 O ATOM 832 OD2 ASP A 55 64.353 -27.267 58.178 1.00 0.00 O ATOM 833 OXT ASP A 55 66.776 -30.140 54.447 1.00 0.00 O ATOM 0 H ASP A 55 66.948 -27.327 53.511 1.00 0.00 H new ATOM 0 HA ASP A 55 67.366 -28.330 56.266 1.00 0.00 H new ATOM 0 HB2 ASP A 55 65.957 -26.220 56.465 1.00 0.00 H new ATOM 0 HB3 ASP A 55 64.770 -26.959 55.408 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.001 -11.492 22.653 1.00 0.00 N ATOM 840 CA PHE B 1 95.079 -12.645 22.851 1.00 0.00 C ATOM 841 C PHE B 1 95.691 -13.894 22.217 1.00 0.00 C ATOM 842 O PHE B 1 95.715 -14.044 21.012 1.00 0.00 O ATOM 843 CB PHE B 1 93.728 -12.330 22.203 1.00 0.00 C ATOM 844 CG PHE B 1 93.381 -10.880 22.465 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.065 -10.460 23.763 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.382 -9.952 21.412 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.751 -9.117 24.009 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.068 -8.609 21.659 1.00 0.00 C ATOM 849 CZ PHE B 1 92.753 -8.193 22.958 1.00 0.00 C ATOM 0 H1 PHE B 1 95.447 -10.633 22.461 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.570 -11.351 23.512 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.631 -11.685 21.848 1.00 0.00 H new ATOM 0 HA PHE B 1 94.929 -12.823 23.916 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.772 -12.519 21.130 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.955 -12.981 22.610 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.063 -11.172 24.575 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.625 -10.274 20.410 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.507 -8.795 25.010 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.069 -7.896 20.848 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.511 -7.158 23.149 1.00 0.00 H new ATOM 861 N LEU B 2 96.204 -14.784 23.029 1.00 0.00 N ATOM 862 CA LEU B 2 96.842 -16.027 22.494 1.00 0.00 C ATOM 863 C LEU B 2 95.907 -17.218 22.636 1.00 0.00 C ATOM 864 O LEU B 2 95.243 -17.384 23.630 1.00 0.00 O ATOM 865 CB LEU B 2 98.133 -16.312 23.264 1.00 0.00 C ATOM 866 CG LEU B 2 99.061 -15.092 23.202 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.348 -15.396 23.978 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.401 -14.762 21.739 1.00 0.00 C ATOM 0 H LEU B 2 96.208 -14.703 24.046 1.00 0.00 H new ATOM 0 HA LEU B 2 97.061 -15.874 21.437 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.902 -16.551 24.302 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.634 -17.182 22.841 1.00 0.00 H new ATOM 0 HG LEU B 2 98.559 -14.234 23.648 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.011 -14.532 23.937 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.103 -15.616 25.017 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.847 -16.257 23.533 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.060 -13.895 21.705 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.900 -15.615 21.280 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.484 -14.542 21.193 1.00 0.00 H new ATOM 880 N ASP B 3 95.874 -18.062 21.644 1.00 0.00 N ATOM 881 CA ASP B 3 95.004 -19.266 21.710 1.00 0.00 C ATOM 882 C ASP B 3 95.433 -20.110 22.913 1.00 0.00 C ATOM 883 O ASP B 3 94.615 -20.652 23.630 1.00 0.00 O ATOM 884 CB ASP B 3 95.157 -20.079 20.422 1.00 0.00 C ATOM 885 CG ASP B 3 94.264 -21.321 20.483 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.787 -21.631 21.563 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.069 -21.938 19.448 1.00 0.00 O ATOM 0 H ASP B 3 96.416 -17.968 20.785 1.00 0.00 H new ATOM 0 HA ASP B 3 93.960 -18.971 21.818 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.887 -19.468 19.561 1.00 0.00 H new ATOM 0 HB3 ASP B 3 96.198 -20.374 20.289 1.00 0.00 H new ATOM 892 N GLY B 4 96.716 -20.216 23.144 1.00 0.00 N ATOM 893 CA GLY B 4 97.207 -21.013 24.307 1.00 0.00 C ATOM 894 C GLY B 4 96.459 -20.585 25.571 1.00 0.00 C ATOM 895 O GLY B 4 96.543 -21.222 26.602 1.00 0.00 O ATOM 0 H GLY B 4 97.446 -19.784 22.577 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.054 -22.076 24.123 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.279 -20.863 24.438 1.00 0.00 H new ATOM 899 N ILE B 5 95.714 -19.517 25.493 1.00 0.00 N ATOM 900 CA ILE B 5 94.941 -19.050 26.677 1.00 0.00 C ATOM 901 C ILE B 5 93.972 -20.160 27.098 1.00 0.00 C ATOM 902 O ILE B 5 93.679 -20.332 28.264 1.00 0.00 O ATOM 903 CB ILE B 5 94.184 -17.761 26.305 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.156 -16.575 26.358 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.021 -17.515 27.275 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.511 -15.346 25.712 1.00 0.00 C ATOM 0 H ILE B 5 95.607 -18.945 24.655 1.00 0.00 H new ATOM 0 HA ILE B 5 95.605 -18.829 27.513 1.00 0.00 H new ATOM 0 HB ILE B 5 93.778 -17.868 25.299 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.421 -16.356 27.392 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.080 -16.827 25.838 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.500 -16.600 26.994 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.328 -18.355 27.232 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.408 -17.415 28.289 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.206 -14.507 25.752 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.268 -15.566 24.672 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.599 -15.088 26.251 1.00 0.00 H new ATOM 918 N ASP B 6 93.487 -20.922 26.158 1.00 0.00 N ATOM 919 CA ASP B 6 92.554 -22.030 26.505 1.00 0.00 C ATOM 920 C ASP B 6 93.259 -23.003 27.449 1.00 0.00 C ATOM 921 O ASP B 6 92.676 -23.500 28.386 1.00 0.00 O ATOM 922 CB ASP B 6 92.142 -22.770 25.230 1.00 0.00 C ATOM 923 CG ASP B 6 91.223 -21.880 24.393 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.585 -21.014 24.968 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.172 -22.080 23.191 1.00 0.00 O ATOM 0 H ASP B 6 93.696 -20.826 25.164 1.00 0.00 H new ATOM 0 HA ASP B 6 91.667 -21.622 26.990 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.026 -23.041 24.653 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.631 -23.698 25.486 1.00 0.00 H new ATOM 930 N LYS B 7 94.513 -23.273 27.207 1.00 0.00 N ATOM 931 CA LYS B 7 95.274 -24.215 28.083 1.00 0.00 C ATOM 932 C LYS B 7 95.292 -23.676 29.516 1.00 0.00 C ATOM 933 O LYS B 7 95.185 -24.421 30.470 1.00 0.00 O ATOM 934 CB LYS B 7 96.712 -24.338 27.559 1.00 0.00 C ATOM 935 CG LYS B 7 97.511 -25.317 28.435 1.00 0.00 C ATOM 936 CD LYS B 7 98.955 -25.440 27.916 1.00 0.00 C ATOM 937 CE LYS B 7 99.025 -26.432 26.749 1.00 0.00 C ATOM 938 NZ LYS B 7 98.533 -27.765 27.199 1.00 0.00 N ATOM 0 H LYS B 7 95.049 -22.879 26.434 1.00 0.00 H new ATOM 0 HA LYS B 7 94.797 -25.195 28.074 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.703 -24.686 26.526 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.193 -23.360 27.561 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.517 -24.970 29.468 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.031 -26.295 28.430 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.316 -24.464 27.593 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.610 -25.771 28.722 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.422 -26.072 25.915 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.050 -26.514 26.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.989 -28.511 26.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.764 -27.899 28.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.502 -27.816 27.071 1.00 0.00 H new ATOM 952 N ALA B 8 95.440 -22.392 29.673 1.00 0.00 N ATOM 953 CA ALA B 8 95.479 -21.807 31.043 1.00 0.00 C ATOM 954 C ALA B 8 94.188 -22.151 31.792 1.00 0.00 C ATOM 955 O ALA B 8 94.191 -22.339 32.992 1.00 0.00 O ATOM 956 CB ALA B 8 95.619 -20.287 30.939 1.00 0.00 C ATOM 0 H ALA B 8 95.536 -21.720 28.912 1.00 0.00 H new ATOM 0 HA ALA B 8 96.329 -22.218 31.588 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.648 -19.855 31.939 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.541 -20.042 30.411 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.768 -19.880 30.392 1.00 0.00 H new ATOM 962 N GLN B 9 93.082 -22.230 31.102 1.00 0.00 N ATOM 963 CA GLN B 9 91.802 -22.555 31.795 1.00 0.00 C ATOM 964 C GLN B 9 91.912 -23.928 32.476 1.00 0.00 C ATOM 965 O GLN B 9 91.521 -24.093 33.614 1.00 0.00 O ATOM 966 CB GLN B 9 90.659 -22.567 30.774 1.00 0.00 C ATOM 967 CG GLN B 9 90.388 -21.136 30.302 1.00 0.00 C ATOM 968 CD GLN B 9 89.386 -21.155 29.148 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.305 -22.118 28.411 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.611 -20.121 28.957 1.00 0.00 N ATOM 0 H GLN B 9 93.009 -22.085 30.095 1.00 0.00 H new ATOM 0 HA GLN B 9 91.599 -21.800 32.555 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.921 -23.199 29.925 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.760 -22.991 31.222 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.997 -20.539 31.126 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.318 -20.666 29.981 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.678 -19.312 29.575 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.939 -20.122 28.190 1.00 0.00 H new ATOM 979 N GLU B 10 92.450 -24.909 31.800 1.00 0.00 N ATOM 980 CA GLU B 10 92.592 -26.259 32.429 1.00 0.00 C ATOM 981 C GLU B 10 93.513 -26.176 33.647 1.00 0.00 C ATOM 982 O GLU B 10 93.308 -26.848 34.639 1.00 0.00 O ATOM 983 CB GLU B 10 93.175 -27.263 31.425 1.00 0.00 C ATOM 984 CG GLU B 10 92.143 -27.581 30.335 1.00 0.00 C ATOM 985 CD GLU B 10 92.064 -26.423 29.343 1.00 0.00 C ATOM 986 OE1 GLU B 10 92.907 -25.550 29.421 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.162 -26.433 28.522 1.00 0.00 O ATOM 0 H GLU B 10 92.796 -24.836 30.843 1.00 0.00 H new ATOM 0 HA GLU B 10 91.603 -26.596 32.739 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.078 -26.854 30.973 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.464 -28.179 31.941 1.00 0.00 H new ATOM 0 HG2 GLU B 10 92.420 -28.498 29.816 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.166 -27.753 30.786 1.00 0.00 H new ATOM 994 N GLU B 11 94.542 -25.376 33.574 1.00 0.00 N ATOM 995 CA GLU B 11 95.494 -25.271 34.719 1.00 0.00 C ATOM 996 C GLU B 11 95.044 -24.170 35.683 1.00 0.00 C ATOM 997 O GLU B 11 95.692 -23.903 36.677 1.00 0.00 O ATOM 998 CB GLU B 11 96.888 -24.936 34.182 1.00 0.00 C ATOM 999 CG GLU B 11 97.407 -26.112 33.351 1.00 0.00 C ATOM 1000 CD GLU B 11 98.800 -25.783 32.811 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.282 -24.697 33.092 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.363 -26.623 32.130 1.00 0.00 O ATOM 0 H GLU B 11 94.766 -24.789 32.770 1.00 0.00 H new ATOM 0 HA GLU B 11 95.517 -26.221 35.253 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.848 -24.034 33.571 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.569 -24.731 35.008 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.447 -27.013 33.963 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.725 -26.316 32.526 1.00 0.00 H new ATOM 1009 N CYS B 12 93.941 -23.531 35.408 1.00 0.00 N ATOM 1010 CA CYS B 12 93.460 -22.455 36.322 1.00 0.00 C ATOM 1011 C CYS B 12 93.455 -22.974 37.763 1.00 0.00 C ATOM 1012 O CYS B 12 93.813 -22.273 38.688 1.00 0.00 O ATOM 1013 CB CYS B 12 92.040 -22.047 35.928 1.00 0.00 C ATOM 1014 SG CYS B 12 91.459 -20.740 37.039 1.00 0.00 S ATOM 0 H CYS B 12 93.353 -23.706 34.593 1.00 0.00 H new ATOM 0 HA CYS B 12 94.122 -21.593 36.246 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.024 -21.696 34.896 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.374 -22.908 35.982 1.00 0.00 H new ATOM 1019 N GLU B 13 93.054 -24.201 37.958 1.00 0.00 N ATOM 1020 CA GLU B 13 93.026 -24.769 39.335 1.00 0.00 C ATOM 1021 C GLU B 13 94.438 -24.745 39.924 1.00 0.00 C ATOM 1022 O GLU B 13 94.632 -24.477 41.094 1.00 0.00 O ATOM 1023 CB GLU B 13 92.527 -26.217 39.290 1.00 0.00 C ATOM 1024 CG GLU B 13 91.052 -26.245 38.890 1.00 0.00 C ATOM 1025 CD GLU B 13 90.560 -27.694 38.871 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.352 -28.572 39.173 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.399 -27.901 38.559 1.00 0.00 O ATOM 0 H GLU B 13 92.744 -24.835 37.222 1.00 0.00 H new ATOM 0 HA GLU B 13 92.356 -24.173 39.954 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.117 -26.793 38.577 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.658 -26.687 40.265 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.462 -25.658 39.593 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.921 -25.792 37.907 1.00 0.00 H new ATOM 1034 N LYS B 14 95.423 -25.047 39.125 1.00 0.00 N ATOM 1035 CA LYS B 14 96.824 -25.069 39.629 1.00 0.00 C ATOM 1036 C LYS B 14 97.242 -23.670 40.093 1.00 0.00 C ATOM 1037 O LYS B 14 97.959 -23.524 41.062 1.00 0.00 O ATOM 1038 CB LYS B 14 97.756 -25.544 38.513 1.00 0.00 C ATOM 1039 CG LYS B 14 97.481 -27.022 38.225 1.00 0.00 C ATOM 1040 CD LYS B 14 98.405 -27.513 37.110 1.00 0.00 C ATOM 1041 CE LYS B 14 98.123 -28.990 36.829 1.00 0.00 C ATOM 1042 NZ LYS B 14 98.462 -29.801 38.033 1.00 0.00 N ATOM 0 H LYS B 14 95.317 -25.281 38.138 1.00 0.00 H new ATOM 0 HA LYS B 14 96.889 -25.752 40.476 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.598 -24.950 37.613 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.796 -25.406 38.808 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.639 -27.613 39.127 1.00 0.00 H new ATOM 0 HG3 LYS B 14 96.440 -27.157 37.933 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.248 -26.923 36.207 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.447 -27.379 37.401 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.073 -29.127 36.569 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.710 -29.327 35.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.599 -30.794 37.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.337 -29.437 38.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.686 -29.739 38.723 1.00 0.00 H new ATOM 1056 N TYR B 15 96.809 -22.638 39.417 1.00 0.00 N ATOM 1057 CA TYR B 15 97.200 -21.258 39.841 1.00 0.00 C ATOM 1058 C TYR B 15 96.228 -20.756 40.909 1.00 0.00 C ATOM 1059 O TYR B 15 96.525 -19.840 41.647 1.00 0.00 O ATOM 1060 CB TYR B 15 97.155 -20.313 38.639 1.00 0.00 C ATOM 1061 CG TYR B 15 98.125 -20.786 37.586 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.487 -20.493 37.711 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.664 -21.516 36.484 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.389 -20.929 36.736 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.567 -21.953 35.507 1.00 0.00 C ATOM 1066 CZ TYR B 15 99.930 -21.659 35.633 1.00 0.00 C ATOM 1067 OH TYR B 15 100.820 -22.089 34.669 1.00 0.00 O ATOM 0 H TYR B 15 96.206 -22.688 38.596 1.00 0.00 H new ATOM 0 HA TYR B 15 98.212 -21.284 40.246 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.146 -20.278 38.229 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.407 -19.300 38.951 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.842 -19.930 38.561 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.612 -21.742 36.387 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.440 -20.703 36.834 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.212 -22.517 34.657 1.00 0.00 H new ATOM 0 HH TYR B 15 101.696 -21.678 34.826 1.00 0.00 H new ATOM 1077 N HIS B 16 95.070 -21.352 40.998 1.00 0.00 N ATOM 1078 CA HIS B 16 94.079 -20.917 42.024 1.00 0.00 C ATOM 1079 C HIS B 16 93.750 -19.434 41.829 1.00 0.00 C ATOM 1080 O HIS B 16 93.509 -18.980 40.729 1.00 0.00 O ATOM 1081 CB HIS B 16 94.654 -21.144 43.426 1.00 0.00 C ATOM 1082 CG HIS B 16 95.204 -22.543 43.523 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.508 -22.851 43.163 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.638 -23.725 43.935 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.683 -24.171 43.363 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.576 -24.746 43.833 1.00 0.00 N ATOM 0 H HIS B 16 94.767 -22.123 40.403 1.00 0.00 H new ATOM 0 HA HIS B 16 93.166 -21.502 41.914 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.441 -20.418 43.630 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.879 -20.994 44.177 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.623 -23.843 44.284 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.605 -24.698 43.167 1.00 0.00 H new ATOM 0 HE2 HIS B 16 95.445 -25.730 44.069 1.00 0.00 H new ATOM 1095 N SER B 17 93.729 -18.678 42.895 1.00 0.00 N ATOM 1096 CA SER B 17 93.405 -17.225 42.784 1.00 0.00 C ATOM 1097 C SER B 17 94.658 -16.420 42.428 1.00 0.00 C ATOM 1098 O SER B 17 94.593 -15.226 42.210 1.00 0.00 O ATOM 1099 CB SER B 17 92.858 -16.727 44.122 1.00 0.00 C ATOM 1100 OG SER B 17 91.681 -17.453 44.450 1.00 0.00 O ATOM 0 H SER B 17 93.923 -19.006 43.841 1.00 0.00 H new ATOM 0 HA SER B 17 92.662 -17.091 41.998 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.607 -16.854 44.904 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.637 -15.661 44.063 1.00 0.00 H new ATOM 0 HG SER B 17 91.330 -17.136 45.308 1.00 0.00 H new ATOM 1106 N ASN B 18 95.800 -17.048 42.379 1.00 0.00 N ATOM 1107 CA ASN B 18 97.043 -16.291 42.054 1.00 0.00 C ATOM 1108 C ASN B 18 97.144 -16.085 40.541 1.00 0.00 C ATOM 1109 O ASN B 18 97.846 -16.799 39.854 1.00 0.00 O ATOM 1110 CB ASN B 18 98.261 -17.082 42.533 1.00 0.00 C ATOM 1111 CG ASN B 18 98.300 -17.087 44.061 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.694 -16.249 44.700 1.00 0.00 O ATOM 1113 ND2 ASN B 18 98.989 -18.006 44.678 1.00 0.00 N ATOM 0 H ASN B 18 95.927 -18.046 42.549 1.00 0.00 H new ATOM 0 HA ASN B 18 97.012 -15.322 42.552 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.214 -18.104 42.157 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.174 -16.638 42.137 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.020 -18.022 45.697 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.497 -18.709 44.141 1.00 0.00 H new ATOM 1120 N TRP B 19 96.456 -15.106 40.018 1.00 0.00 N ATOM 1121 CA TRP B 19 96.527 -14.851 38.554 1.00 0.00 C ATOM 1122 C TRP B 19 97.913 -14.303 38.206 1.00 0.00 C ATOM 1123 O TRP B 19 98.372 -14.412 37.086 1.00 0.00 O ATOM 1124 CB TRP B 19 95.455 -13.835 38.152 1.00 0.00 C ATOM 1125 CG TRP B 19 95.674 -12.550 38.885 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.057 -12.202 40.037 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.558 -11.442 38.543 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.500 -10.949 40.421 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.427 -10.439 39.533 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.449 -11.210 37.479 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.154 -9.251 39.472 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.184 -10.014 37.415 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.036 -9.037 38.409 1.00 0.00 C ATOM 0 H TRP B 19 95.850 -14.474 40.541 1.00 0.00 H new ATOM 0 HA TRP B 19 96.355 -15.782 38.013 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.491 -13.661 37.077 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.464 -14.229 38.379 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.336 -12.804 40.570 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.181 -10.461 41.258 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.569 -11.956 36.707 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.037 -8.501 40.241 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.867 -9.847 36.595 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.603 -8.120 38.354 1.00 0.00 H new ATOM 1144 N ARG B 20 98.580 -13.712 39.160 1.00 0.00 N ATOM 1145 CA ARG B 20 99.934 -13.154 38.887 1.00 0.00 C ATOM 1146 C ARG B 20 100.873 -14.270 38.433 1.00 0.00 C ATOM 1147 O ARG B 20 101.680 -14.092 37.543 1.00 0.00 O ATOM 1148 CB ARG B 20 100.491 -12.518 40.160 1.00 0.00 C ATOM 1149 CG ARG B 20 99.706 -11.245 40.479 1.00 0.00 C ATOM 1150 CD ARG B 20 100.266 -10.603 41.747 1.00 0.00 C ATOM 1151 NE ARG B 20 99.426 -9.428 42.115 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.530 -8.896 43.300 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.378 -9.384 44.163 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.787 -7.872 43.622 1.00 0.00 N ATOM 0 H ARG B 20 98.245 -13.592 40.116 1.00 0.00 H new ATOM 0 HA ARG B 20 99.857 -12.402 38.102 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.420 -13.220 40.991 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.548 -12.284 40.030 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.772 -10.546 39.645 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.650 -11.481 40.614 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.276 -11.327 42.562 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.298 -10.291 41.586 1.00 0.00 H new ATOM 0 HE ARG B 20 98.769 -9.040 41.438 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.960 -10.183 43.910 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.459 -8.967 45.090 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.126 -7.489 42.946 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.868 -7.455 44.549 1.00 0.00 H new ATOM 1168 N ALA B 21 100.778 -15.419 39.039 1.00 0.00 N ATOM 1169 CA ALA B 21 101.669 -16.541 38.638 1.00 0.00 C ATOM 1170 C ALA B 21 101.338 -16.949 37.203 1.00 0.00 C ATOM 1171 O ALA B 21 102.213 -17.222 36.404 1.00 0.00 O ATOM 1172 CB ALA B 21 101.445 -17.730 39.582 1.00 0.00 C ATOM 0 H ALA B 21 100.124 -15.629 39.793 1.00 0.00 H new ATOM 0 HA ALA B 21 102.712 -16.229 38.697 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.097 -18.554 39.291 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.674 -17.431 40.605 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.405 -18.051 39.522 1.00 0.00 H new ATOM 1178 N MET B 22 100.079 -16.981 36.867 1.00 0.00 N ATOM 1179 CA MET B 22 99.682 -17.358 35.483 1.00 0.00 C ATOM 1180 C MET B 22 100.286 -16.363 34.487 1.00 0.00 C ATOM 1181 O MET B 22 100.879 -16.738 33.497 1.00 0.00 O ATOM 1182 CB MET B 22 98.157 -17.318 35.369 1.00 0.00 C ATOM 1183 CG MET B 22 97.720 -17.934 34.038 1.00 0.00 C ATOM 1184 SD MET B 22 95.985 -17.527 33.725 1.00 0.00 S ATOM 1185 CE MET B 22 95.304 -18.190 35.263 1.00 0.00 C ATOM 0 H MET B 22 99.305 -16.761 37.494 1.00 0.00 H new ATOM 0 HA MET B 22 100.045 -18.362 35.261 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.707 -17.864 36.198 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.805 -16.289 35.437 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.345 -17.557 33.228 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.852 -19.016 34.065 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.273 -18.502 35.099 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.896 -19.047 35.583 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.332 -17.421 36.035 1.00 0.00 H new ATOM 1195 N ALA B 23 100.128 -15.095 34.738 1.00 0.00 N ATOM 1196 CA ALA B 23 100.673 -14.071 33.802 1.00 0.00 C ATOM 1197 C ALA B 23 102.180 -14.280 33.606 1.00 0.00 C ATOM 1198 O ALA B 23 102.702 -14.098 32.524 1.00 0.00 O ATOM 1199 CB ALA B 23 100.424 -12.676 34.382 1.00 0.00 C ATOM 0 H ALA B 23 99.643 -14.721 35.554 1.00 0.00 H new ATOM 0 HA ALA B 23 100.175 -14.167 32.837 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.821 -11.923 33.701 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.353 -12.521 34.510 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.921 -12.590 35.348 1.00 0.00 H new ATOM 1205 N SER B 24 102.888 -14.634 34.643 1.00 0.00 N ATOM 1206 CA SER B 24 104.362 -14.824 34.512 1.00 0.00 C ATOM 1207 C SER B 24 104.678 -16.026 33.613 1.00 0.00 C ATOM 1208 O SER B 24 105.591 -15.983 32.810 1.00 0.00 O ATOM 1209 CB SER B 24 104.967 -15.057 35.896 1.00 0.00 C ATOM 1210 OG SER B 24 106.379 -15.171 35.782 1.00 0.00 O ATOM 0 H SER B 24 102.510 -14.800 35.576 1.00 0.00 H new ATOM 0 HA SER B 24 104.790 -13.928 34.061 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.710 -14.232 36.561 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.553 -15.963 36.338 1.00 0.00 H new ATOM 0 HG SER B 24 106.768 -15.319 36.669 1.00 0.00 H new ATOM 1216 N ASP B 25 103.946 -17.097 33.740 1.00 0.00 N ATOM 1217 CA ASP B 25 104.230 -18.292 32.891 1.00 0.00 C ATOM 1218 C ASP B 25 103.845 -18.024 31.434 1.00 0.00 C ATOM 1219 O ASP B 25 104.539 -18.421 30.519 1.00 0.00 O ATOM 1220 CB ASP B 25 103.439 -19.491 33.414 1.00 0.00 C ATOM 1221 CG ASP B 25 104.027 -19.946 34.751 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.160 -19.589 35.031 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.336 -20.645 35.473 1.00 0.00 O ATOM 0 H ASP B 25 103.167 -17.199 34.391 1.00 0.00 H new ATOM 0 HA ASP B 25 105.298 -18.505 32.937 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.390 -19.222 33.539 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.475 -20.307 32.692 1.00 0.00 H new ATOM 1228 N PHE B 26 102.747 -17.359 31.207 1.00 0.00 N ATOM 1229 CA PHE B 26 102.317 -17.072 29.802 1.00 0.00 C ATOM 1230 C PHE B 26 102.820 -15.685 29.387 1.00 0.00 C ATOM 1231 O PHE B 26 102.669 -15.275 28.254 1.00 0.00 O ATOM 1232 CB PHE B 26 100.789 -17.110 29.721 1.00 0.00 C ATOM 1233 CG PHE B 26 100.308 -18.534 29.896 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.050 -19.030 31.179 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.111 -19.357 28.779 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.600 -20.343 31.349 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.661 -20.673 28.949 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.406 -21.165 30.234 1.00 0.00 C ATOM 0 H PHE B 26 102.125 -17.000 31.932 1.00 0.00 H new ATOM 0 HA PHE B 26 102.735 -17.823 29.131 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.358 -16.472 30.492 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.456 -16.718 28.760 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.199 -18.396 32.041 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.306 -18.977 27.787 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.402 -20.722 32.341 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.511 -21.308 28.088 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.059 -22.179 30.365 1.00 0.00 H new ATOM 1248 N ASN B 27 103.426 -14.967 30.293 1.00 0.00 N ATOM 1249 CA ASN B 27 103.949 -13.611 29.951 1.00 0.00 C ATOM 1250 C ASN B 27 102.847 -12.768 29.304 1.00 0.00 C ATOM 1251 O ASN B 27 103.050 -12.167 28.268 1.00 0.00 O ATOM 1252 CB ASN B 27 105.120 -13.750 28.975 1.00 0.00 C ATOM 1253 CG ASN B 27 106.232 -14.573 29.627 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.701 -15.538 29.058 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.677 -14.230 30.804 1.00 0.00 N ATOM 0 H ASN B 27 103.582 -15.260 31.257 1.00 0.00 H new ATOM 0 HA ASN B 27 104.284 -13.119 30.864 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.786 -14.233 28.056 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.496 -12.765 28.699 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.419 -14.772 31.247 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.283 -13.420 31.282 1.00 0.00 H new ATOM 1262 N LEU B 28 101.681 -12.717 29.909 1.00 0.00 N ATOM 1263 CA LEU B 28 100.552 -11.907 29.338 1.00 0.00 C ATOM 1264 C LEU B 28 100.190 -10.783 30.324 1.00 0.00 C ATOM 1265 O LEU B 28 100.525 -10.866 31.489 1.00 0.00 O ATOM 1266 CB LEU B 28 99.326 -12.808 29.158 1.00 0.00 C ATOM 1267 CG LEU B 28 99.569 -13.818 28.026 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.544 -14.951 28.134 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.433 -13.133 26.652 1.00 0.00 C ATOM 0 H LEU B 28 101.461 -13.204 30.778 1.00 0.00 H new ATOM 0 HA LEU B 28 100.853 -11.486 28.379 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.115 -13.337 30.087 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.450 -12.201 28.931 1.00 0.00 H new ATOM 0 HG LEU B 28 100.579 -14.217 28.119 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.712 -15.671 27.333 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.652 -15.449 29.098 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.538 -14.541 28.048 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.608 -13.864 25.862 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.429 -12.721 26.549 1.00 0.00 H new ATOM 0 HD23 LEU B 28 100.165 -12.329 26.572 1.00 0.00 H new ATOM 1281 N PRO B 29 99.501 -9.739 29.891 1.00 0.00 N ATOM 1282 CA PRO B 29 99.109 -8.630 30.811 1.00 0.00 C ATOM 1283 C PRO B 29 98.023 -9.094 31.795 1.00 0.00 C ATOM 1284 O PRO B 29 97.345 -10.074 31.556 1.00 0.00 O ATOM 1285 CB PRO B 29 98.570 -7.511 29.885 1.00 0.00 C ATOM 1286 CG PRO B 29 98.844 -7.962 28.478 1.00 0.00 C ATOM 1287 CD PRO B 29 99.016 -9.483 28.520 1.00 0.00 C ATOM 0 HA PRO B 29 99.947 -8.289 31.418 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.503 -7.356 30.043 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.064 -6.562 30.093 1.00 0.00 H new ATOM 0 HG2 PRO B 29 98.022 -7.685 27.818 1.00 0.00 H new ATOM 0 HG3 PRO B 29 99.742 -7.483 28.088 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.076 -9.999 28.324 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.730 -9.827 27.771 1.00 0.00 H new ATOM 1295 N PRO B 30 97.853 -8.395 32.884 1.00 0.00 N ATOM 1296 CA PRO B 30 96.822 -8.749 33.901 1.00 0.00 C ATOM 1297 C PRO B 30 95.424 -8.812 33.270 1.00 0.00 C ATOM 1298 O PRO B 30 94.515 -9.416 33.804 1.00 0.00 O ATOM 1299 CB PRO B 30 96.919 -7.617 34.951 1.00 0.00 C ATOM 1300 CG PRO B 30 97.703 -6.520 34.290 1.00 0.00 C ATOM 1301 CD PRO B 30 98.610 -7.197 33.265 1.00 0.00 C ATOM 0 HA PRO B 30 96.988 -9.733 34.340 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.929 -7.269 35.245 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.417 -7.964 35.857 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.038 -5.804 33.807 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.290 -5.966 35.023 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.800 -6.552 32.407 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.580 -7.453 33.692 1.00 0.00 H new ATOM 1309 N VAL B 31 95.250 -8.182 32.139 1.00 0.00 N ATOM 1310 CA VAL B 31 93.918 -8.195 31.474 1.00 0.00 C ATOM 1311 C VAL B 31 93.503 -9.636 31.147 1.00 0.00 C ATOM 1312 O VAL B 31 92.400 -10.056 31.433 1.00 0.00 O ATOM 1313 CB VAL B 31 93.997 -7.380 30.172 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.723 -7.577 29.340 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.149 -5.897 30.514 1.00 0.00 C ATOM 0 H VAL B 31 95.975 -7.659 31.648 1.00 0.00 H new ATOM 0 HA VAL B 31 93.179 -7.757 32.145 1.00 0.00 H new ATOM 0 HB VAL B 31 94.855 -7.721 29.593 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.794 -6.994 28.422 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.610 -8.632 29.092 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.858 -7.245 29.915 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.205 -5.315 29.594 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.290 -5.569 31.099 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.060 -5.749 31.093 1.00 0.00 H new ATOM 1325 N VAL B 32 94.365 -10.387 30.525 1.00 0.00 N ATOM 1326 CA VAL B 32 93.998 -11.784 30.157 1.00 0.00 C ATOM 1327 C VAL B 32 93.947 -12.686 31.394 1.00 0.00 C ATOM 1328 O VAL B 32 93.042 -13.480 31.548 1.00 0.00 O ATOM 1329 CB VAL B 32 95.026 -12.335 29.171 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.647 -13.767 28.793 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.039 -11.464 27.912 1.00 0.00 C ATOM 0 H VAL B 32 95.305 -10.097 30.255 1.00 0.00 H new ATOM 0 HA VAL B 32 93.008 -11.770 29.700 1.00 0.00 H new ATOM 0 HB VAL B 32 96.014 -12.327 29.630 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.379 -14.163 28.089 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.632 -14.388 29.689 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.660 -13.772 28.331 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.772 -11.855 27.207 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.051 -11.475 27.452 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.303 -10.441 28.180 1.00 0.00 H new ATOM 1341 N ALA B 33 94.911 -12.593 32.270 1.00 0.00 N ATOM 1342 CA ALA B 33 94.899 -13.477 33.472 1.00 0.00 C ATOM 1343 C ALA B 33 93.631 -13.226 34.290 1.00 0.00 C ATOM 1344 O ALA B 33 92.932 -14.144 34.667 1.00 0.00 O ATOM 1345 CB ALA B 33 96.141 -13.207 34.330 1.00 0.00 C ATOM 0 H ALA B 33 95.700 -11.949 32.207 1.00 0.00 H new ATOM 0 HA ALA B 33 94.911 -14.518 33.150 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.126 -13.856 35.206 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.038 -13.408 33.745 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.143 -12.165 34.650 1.00 0.00 H new ATOM 1351 N LYS B 34 93.325 -11.992 34.559 1.00 0.00 N ATOM 1352 CA LYS B 34 92.098 -11.687 35.343 1.00 0.00 C ATOM 1353 C LYS B 34 90.875 -12.218 34.596 1.00 0.00 C ATOM 1354 O LYS B 34 89.949 -12.738 35.187 1.00 0.00 O ATOM 1355 CB LYS B 34 91.977 -10.171 35.516 1.00 0.00 C ATOM 1356 CG LYS B 34 93.071 -9.682 36.466 1.00 0.00 C ATOM 1357 CD LYS B 34 92.960 -8.167 36.647 1.00 0.00 C ATOM 1358 CE LYS B 34 94.059 -7.687 37.599 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.176 -6.204 37.518 1.00 0.00 N ATOM 0 H LYS B 34 93.870 -11.180 34.271 1.00 0.00 H new ATOM 0 HA LYS B 34 92.157 -12.162 36.322 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.070 -9.675 34.550 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.994 -9.916 35.913 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.977 -10.181 37.431 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.053 -9.939 36.068 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.054 -7.667 35.683 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.979 -7.908 37.046 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.827 -7.989 38.620 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.010 -8.152 37.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.923 -5.879 38.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.416 -5.927 36.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.271 -5.769 37.788 1.00 0.00 H new ATOM 1373 N GLU B 35 90.861 -12.077 33.300 1.00 0.00 N ATOM 1374 CA GLU B 35 89.692 -12.554 32.507 1.00 0.00 C ATOM 1375 C GLU B 35 89.540 -14.074 32.642 1.00 0.00 C ATOM 1376 O GLU B 35 88.442 -14.582 32.750 1.00 0.00 O ATOM 1377 CB GLU B 35 89.904 -12.198 31.033 1.00 0.00 C ATOM 1378 CG GLU B 35 88.603 -12.415 30.250 1.00 0.00 C ATOM 1379 CD GLU B 35 88.368 -13.911 30.029 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.328 -14.662 30.096 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.229 -14.282 29.796 1.00 0.00 O ATOM 0 H GLU B 35 91.610 -11.651 32.754 1.00 0.00 H new ATOM 0 HA GLU B 35 88.789 -12.073 32.883 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.224 -11.160 30.943 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.699 -12.814 30.612 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.764 -11.984 30.796 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.657 -11.901 29.290 1.00 0.00 H new ATOM 1388 N ILE B 36 90.620 -14.810 32.638 1.00 0.00 N ATOM 1389 CA ILE B 36 90.495 -16.290 32.769 1.00 0.00 C ATOM 1390 C ILE B 36 89.818 -16.592 34.106 1.00 0.00 C ATOM 1391 O ILE B 36 88.937 -17.422 34.199 1.00 0.00 O ATOM 1392 CB ILE B 36 91.882 -16.935 32.714 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.484 -16.713 31.323 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.757 -18.439 32.968 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.963 -17.113 31.330 1.00 0.00 C ATOM 0 H ILE B 36 91.572 -14.455 32.551 1.00 0.00 H new ATOM 0 HA ILE B 36 89.899 -16.697 31.952 1.00 0.00 H new ATOM 0 HB ILE B 36 92.522 -16.487 33.474 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.942 -17.302 30.583 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.382 -15.667 31.035 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.745 -18.898 32.929 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.318 -18.607 33.951 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.119 -18.885 32.205 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.388 -16.954 30.339 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.501 -16.505 32.057 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.054 -18.165 31.599 1.00 0.00 H new ATOM 1407 N VAL B 37 90.200 -15.885 35.133 1.00 0.00 N ATOM 1408 CA VAL B 37 89.558 -16.080 36.461 1.00 0.00 C ATOM 1409 C VAL B 37 88.093 -15.651 36.346 1.00 0.00 C ATOM 1410 O VAL B 37 87.202 -16.278 36.883 1.00 0.00 O ATOM 1411 CB VAL B 37 90.288 -15.217 37.499 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.492 -15.188 38.804 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.678 -15.810 37.765 1.00 0.00 C ATOM 0 H VAL B 37 90.934 -15.177 35.108 1.00 0.00 H new ATOM 0 HA VAL B 37 89.611 -17.123 36.773 1.00 0.00 H new ATOM 0 HB VAL B 37 90.387 -14.201 37.116 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.016 -14.574 39.536 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.504 -14.767 38.618 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.388 -16.202 39.189 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.199 -15.199 38.502 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.573 -16.826 38.145 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.250 -15.826 36.837 1.00 0.00 H new ATOM 1423 N ALA B 38 87.846 -14.582 35.637 1.00 0.00 N ATOM 1424 CA ALA B 38 86.448 -14.095 35.463 1.00 0.00 C ATOM 1425 C ALA B 38 85.600 -15.171 34.772 1.00 0.00 C ATOM 1426 O ALA B 38 84.389 -15.173 34.872 1.00 0.00 O ATOM 1427 CB ALA B 38 86.455 -12.825 34.608 1.00 0.00 C ATOM 0 H ALA B 38 88.558 -14.022 35.168 1.00 0.00 H new ATOM 0 HA ALA B 38 86.020 -13.877 36.442 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.433 -12.467 34.480 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.049 -12.057 35.103 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.887 -13.046 33.632 1.00 0.00 H new ATOM 1433 N SER B 39 86.219 -16.082 34.060 1.00 0.00 N ATOM 1434 CA SER B 39 85.432 -17.144 33.359 1.00 0.00 C ATOM 1435 C SER B 39 85.299 -18.365 34.269 1.00 0.00 C ATOM 1436 O SER B 39 84.263 -18.997 34.325 1.00 0.00 O ATOM 1437 CB SER B 39 86.154 -17.552 32.073 1.00 0.00 C ATOM 1438 OG SER B 39 86.281 -16.419 31.224 1.00 0.00 O ATOM 0 H SER B 39 87.230 -16.136 33.935 1.00 0.00 H new ATOM 0 HA SER B 39 84.442 -16.758 33.116 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.139 -17.956 32.308 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.598 -18.340 31.565 1.00 0.00 H new ATOM 0 HG SER B 39 86.950 -15.806 31.594 1.00 0.00 H new ATOM 1444 N CYS B 40 86.329 -18.692 34.996 1.00 0.00 N ATOM 1445 CA CYS B 40 86.240 -19.861 35.915 1.00 0.00 C ATOM 1446 C CYS B 40 85.109 -19.609 36.913 1.00 0.00 C ATOM 1447 O CYS B 40 85.061 -18.579 37.551 1.00 0.00 O ATOM 1448 CB CYS B 40 87.561 -20.020 36.667 1.00 0.00 C ATOM 1449 SG CYS B 40 87.506 -21.526 37.671 1.00 0.00 S ATOM 0 H CYS B 40 87.225 -18.204 34.995 1.00 0.00 H new ATOM 0 HA CYS B 40 86.042 -20.770 35.348 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.390 -20.071 35.961 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.737 -19.152 37.303 1.00 0.00 H new ATOM 1454 N ASP B 41 84.194 -20.529 37.053 1.00 0.00 N ATOM 1455 CA ASP B 41 83.069 -20.311 38.010 1.00 0.00 C ATOM 1456 C ASP B 41 83.532 -20.574 39.446 1.00 0.00 C ATOM 1457 O ASP B 41 82.985 -20.034 40.387 1.00 0.00 O ATOM 1458 CB ASP B 41 81.911 -21.255 37.674 1.00 0.00 C ATOM 1459 CG ASP B 41 81.250 -20.814 36.367 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.503 -19.698 35.944 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.502 -21.600 35.810 1.00 0.00 O ATOM 0 H ASP B 41 84.175 -21.417 36.551 1.00 0.00 H new ATOM 0 HA ASP B 41 82.737 -19.276 37.924 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.278 -22.277 37.581 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.180 -21.251 38.482 1.00 0.00 H new ATOM 1466 N LYS B 42 84.521 -21.406 39.634 1.00 0.00 N ATOM 1467 CA LYS B 42 84.983 -21.693 41.024 1.00 0.00 C ATOM 1468 C LYS B 42 85.751 -20.491 41.584 1.00 0.00 C ATOM 1469 O LYS B 42 85.603 -20.136 42.736 1.00 0.00 O ATOM 1470 CB LYS B 42 85.901 -22.922 41.018 1.00 0.00 C ATOM 1471 CG LYS B 42 85.149 -24.147 40.479 1.00 0.00 C ATOM 1472 CD LYS B 42 84.065 -24.594 41.472 1.00 0.00 C ATOM 1473 CE LYS B 42 83.657 -26.041 41.179 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.815 -26.946 41.429 1.00 0.00 N ATOM 0 H LYS B 42 85.025 -21.895 38.894 1.00 0.00 H new ATOM 0 HA LYS B 42 84.113 -21.886 41.651 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.779 -22.726 40.402 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.259 -23.122 42.028 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.694 -23.907 39.518 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.850 -24.964 40.305 1.00 0.00 H new ATOM 0 HD2 LYS B 42 84.438 -24.511 42.493 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.197 -23.939 41.396 1.00 0.00 H new ATOM 0 HE2 LYS B 42 82.816 -26.327 41.810 1.00 0.00 H new ATOM 0 HE3 LYS B 42 83.326 -26.134 40.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.527 -27.707 42.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.134 -27.359 40.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.593 -26.404 41.856 1.00 0.00 H new ATOM 1488 N CYS B 43 86.570 -19.861 40.785 1.00 0.00 N ATOM 1489 CA CYS B 43 87.344 -18.685 41.284 1.00 0.00 C ATOM 1490 C CYS B 43 86.508 -17.410 41.138 1.00 0.00 C ATOM 1491 O CYS B 43 86.941 -16.331 41.495 1.00 0.00 O ATOM 1492 CB CYS B 43 88.643 -18.546 40.488 1.00 0.00 C ATOM 1493 SG CYS B 43 89.688 -19.994 40.785 1.00 0.00 S ATOM 0 H CYS B 43 86.737 -20.109 39.810 1.00 0.00 H new ATOM 0 HA CYS B 43 87.582 -18.836 42.337 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.423 -18.455 39.424 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.168 -17.638 40.784 1.00 0.00 H new ATOM 1498 N GLN B 44 85.320 -17.517 40.605 1.00 0.00 N ATOM 1499 CA GLN B 44 84.471 -16.302 40.426 1.00 0.00 C ATOM 1500 C GLN B 44 83.989 -15.781 41.784 1.00 0.00 C ATOM 1501 O GLN B 44 84.261 -14.657 42.159 1.00 0.00 O ATOM 1502 CB GLN B 44 83.256 -16.665 39.567 1.00 0.00 C ATOM 1503 CG GLN B 44 82.467 -15.402 39.208 1.00 0.00 C ATOM 1504 CD GLN B 44 83.279 -14.553 38.227 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.896 -15.075 37.321 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.302 -13.256 38.371 1.00 0.00 N ATOM 0 H GLN B 44 84.901 -18.391 40.286 1.00 0.00 H new ATOM 0 HA GLN B 44 85.060 -15.525 39.939 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.582 -17.170 38.658 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.615 -17.362 40.107 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.509 -15.673 38.764 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.250 -14.828 40.109 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.783 -12.818 39.132 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.839 -12.680 37.722 1.00 0.00 H new ATOM 1515 N LEU B 45 83.266 -16.583 42.517 1.00 0.00 N ATOM 1516 CA LEU B 45 82.753 -16.131 43.848 1.00 0.00 C ATOM 1517 C LEU B 45 83.758 -16.509 44.940 1.00 0.00 C ATOM 1518 O LEU B 45 84.279 -17.608 44.963 1.00 0.00 O ATOM 1519 CB LEU B 45 81.411 -16.815 44.133 1.00 0.00 C ATOM 1520 CG LEU B 45 80.414 -16.511 43.006 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.106 -17.260 43.280 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.133 -14.999 42.935 1.00 0.00 C ATOM 0 H LEU B 45 83.006 -17.534 42.254 1.00 0.00 H new ATOM 0 HA LEU B 45 82.619 -15.049 43.838 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.554 -17.892 44.221 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.012 -16.467 45.086 1.00 0.00 H new ATOM 0 HG LEU B 45 80.838 -16.835 42.056 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.392 -17.049 42.484 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.301 -18.332 43.318 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.692 -16.933 44.234 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.424 -14.798 42.131 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.712 -14.662 43.882 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.063 -14.465 42.741 1.00 0.00 H new ATOM 1534 N LYS B 46 84.031 -15.613 45.851 1.00 0.00 N ATOM 1535 CA LYS B 46 84.997 -15.929 46.942 1.00 0.00 C ATOM 1536 C LYS B 46 84.293 -16.742 48.031 1.00 0.00 C ATOM 1537 O LYS B 46 84.921 -17.265 48.930 1.00 0.00 O ATOM 1538 CB LYS B 46 85.535 -14.632 47.549 1.00 0.00 C ATOM 1539 CG LYS B 46 86.373 -13.890 46.508 1.00 0.00 C ATOM 1540 CD LYS B 46 86.910 -12.593 47.117 1.00 0.00 C ATOM 1541 CE LYS B 46 87.749 -11.850 46.077 1.00 0.00 C ATOM 1542 NZ LYS B 46 86.876 -11.425 44.947 1.00 0.00 N ATOM 0 H LYS B 46 83.627 -14.677 45.886 1.00 0.00 H new ATOM 0 HA LYS B 46 85.824 -16.507 46.530 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.709 -14.003 47.881 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.140 -14.853 48.428 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.200 -14.518 46.176 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.768 -13.668 45.629 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.083 -11.965 47.449 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.515 -12.815 47.996 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.224 -10.980 46.531 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.548 -12.494 45.711 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 87.352 -10.678 44.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 86.689 -12.239 44.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 85.976 -11.061 45.321 1.00 0.00 H new ATOM 1556 N GLY B 47 82.995 -16.854 47.959 1.00 0.00 N ATOM 1557 CA GLY B 47 82.258 -17.633 48.994 1.00 0.00 C ATOM 1558 C GLY B 47 80.778 -17.720 48.617 1.00 0.00 C ATOM 1559 O GLY B 47 80.292 -16.974 47.788 1.00 0.00 O ATOM 0 H GLY B 47 82.414 -16.441 47.230 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.681 -18.634 49.079 1.00 0.00 H new ATOM 0 HA3 GLY B 47 82.368 -17.157 49.968 1.00 0.00 H new ATOM 1563 N GLU B 48 80.060 -18.629 49.216 1.00 0.00 N ATOM 1564 CA GLU B 48 78.613 -18.776 48.892 1.00 0.00 C ATOM 1565 C GLU B 48 77.814 -17.657 49.564 1.00 0.00 C ATOM 1566 O GLU B 48 76.893 -17.112 48.991 1.00 0.00 O ATOM 1567 CB GLU B 48 78.124 -20.136 49.397 1.00 0.00 C ATOM 1568 CG GLU B 48 76.653 -20.336 49.026 1.00 0.00 C ATOM 1569 CD GLU B 48 76.185 -21.702 49.528 1.00 0.00 C ATOM 1570 OE1 GLU B 48 77.027 -22.468 49.967 1.00 0.00 O ATOM 1571 OE2 GLU B 48 74.994 -21.961 49.460 1.00 0.00 O ATOM 0 H GLU B 48 80.414 -19.279 49.918 1.00 0.00 H new ATOM 0 HA GLU B 48 78.471 -18.712 47.813 1.00 0.00 H new ATOM 0 HB2 GLU B 48 78.728 -20.933 48.963 1.00 0.00 H new ATOM 0 HB3 GLU B 48 78.246 -20.197 50.478 1.00 0.00 H new ATOM 0 HG2 GLU B 48 76.045 -19.546 49.467 1.00 0.00 H new ATOM 0 HG3 GLU B 48 76.527 -20.270 47.945 1.00 0.00 H new ATOM 1578 N ALA B 49 78.156 -17.318 50.778 1.00 0.00 N ATOM 1579 CA ALA B 49 77.415 -16.237 51.493 1.00 0.00 C ATOM 1580 C ALA B 49 76.040 -16.766 51.920 1.00 0.00 C ATOM 1581 O ALA B 49 75.253 -17.196 51.101 1.00 0.00 O ATOM 1582 CB ALA B 49 77.253 -15.017 50.568 1.00 0.00 C ATOM 0 H ALA B 49 78.918 -17.743 51.307 1.00 0.00 H new ATOM 0 HA ALA B 49 77.973 -15.932 52.378 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.712 -14.231 51.094 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.236 -14.648 50.277 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.696 -15.307 49.677 1.00 0.00 H new ATOM 1588 N MET B 50 75.742 -16.737 53.192 1.00 0.00 N ATOM 1589 CA MET B 50 74.414 -17.239 53.650 1.00 0.00 C ATOM 1590 C MET B 50 74.087 -16.655 55.027 1.00 0.00 C ATOM 1591 O MET B 50 73.010 -16.140 55.250 1.00 0.00 O ATOM 1592 CB MET B 50 74.451 -18.768 53.737 1.00 0.00 C ATOM 1593 CG MET B 50 73.022 -19.307 53.850 1.00 0.00 C ATOM 1594 SD MET B 50 73.056 -21.118 53.940 1.00 0.00 S ATOM 1595 CE MET B 50 73.528 -21.274 55.682 1.00 0.00 C ATOM 0 H MET B 50 76.356 -16.390 53.929 1.00 0.00 H new ATOM 0 HA MET B 50 73.647 -16.932 52.939 1.00 0.00 H new ATOM 0 HB2 MET B 50 74.938 -19.182 52.854 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.038 -19.080 54.601 1.00 0.00 H new ATOM 0 HG2 MET B 50 72.538 -18.898 54.737 1.00 0.00 H new ATOM 0 HG3 MET B 50 72.433 -18.987 52.990 1.00 0.00 H new ATOM 0 HE1 MET B 50 74.425 -21.888 55.762 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.727 -20.285 56.095 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.716 -21.743 56.238 1.00 0.00 H new ATOM 1605 N HIS B 51 75.004 -16.730 55.951 1.00 0.00 N ATOM 1606 CA HIS B 51 74.739 -16.174 57.312 1.00 0.00 C ATOM 1607 C HIS B 51 75.059 -14.679 57.319 1.00 0.00 C ATOM 1608 O HIS B 51 76.137 -14.265 56.944 1.00 0.00 O ATOM 1609 CB HIS B 51 75.623 -16.888 58.339 1.00 0.00 C ATOM 1610 CG HIS B 51 75.138 -16.568 59.727 1.00 0.00 C ATOM 1611 ND1 HIS B 51 75.639 -15.501 60.461 1.00 0.00 N ATOM 1612 CD2 HIS B 51 74.195 -17.164 60.528 1.00 0.00 C ATOM 1613 CE1 HIS B 51 74.997 -15.488 61.646 1.00 0.00 C ATOM 1614 NE2 HIS B 51 74.110 -16.480 61.734 1.00 0.00 N ATOM 0 H HIS B 51 75.925 -17.151 55.825 1.00 0.00 H new ATOM 0 HA HIS B 51 73.691 -16.326 57.569 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.596 -17.965 58.172 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.660 -16.574 58.223 1.00 0.00 H new ATOM 0 HD2 HIS B 51 73.609 -18.031 60.261 1.00 0.00 H new ATOM 0 HE1 HIS B 51 75.178 -14.764 62.427 1.00 0.00 H new ATOM 0 HE2 HIS B 51 73.498 -16.692 62.522 1.00 0.00 H new ATOM 1623 N GLY B 52 74.131 -13.862 57.742 1.00 0.00 N ATOM 1624 CA GLY B 52 74.389 -12.393 57.771 1.00 0.00 C ATOM 1625 C GLY B 52 73.064 -11.635 57.703 1.00 0.00 C ATOM 1626 O GLY B 52 72.844 -10.834 56.817 1.00 0.00 O ATOM 0 H GLY B 52 73.208 -14.148 58.068 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.925 -12.126 58.682 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.025 -12.109 56.932 1.00 0.00 H new ATOM 1630 N GLN B 53 72.175 -11.874 58.630 1.00 0.00 N ATOM 1631 CA GLN B 53 70.870 -11.157 58.603 1.00 0.00 C ATOM 1632 C GLN B 53 71.059 -9.761 59.198 1.00 0.00 C ATOM 1633 O GLN B 53 71.895 -9.550 60.055 1.00 0.00 O ATOM 1634 CB GLN B 53 69.837 -11.926 59.430 1.00 0.00 C ATOM 1635 CG GLN B 53 69.513 -13.249 58.734 1.00 0.00 C ATOM 1636 CD GLN B 53 68.480 -14.022 59.556 1.00 0.00 C ATOM 1637 OE1 GLN B 53 68.289 -13.707 60.808 1.00 0.00 O flip ATOM 1638 NE2 GLN B 53 67.837 -14.922 59.052 1.00 0.00 N flip ATOM 0 H GLN B 53 72.296 -12.531 59.400 1.00 0.00 H new ATOM 0 HA GLN B 53 70.517 -11.080 57.575 1.00 0.00 H new ATOM 0 HB2 GLN B 53 70.224 -12.114 60.432 1.00 0.00 H new ATOM 0 HB3 GLN B 53 68.931 -11.331 59.545 1.00 0.00 H new ATOM 0 HG2 GLN B 53 69.127 -13.060 57.732 1.00 0.00 H new ATOM 0 HG3 GLN B 53 70.420 -13.843 58.620 1.00 0.00 H new ATOM 0 HE21 GLN B 53 67.986 -15.169 58.074 1.00 0.00 H new ATOM 0 HE22 GLN B 53 67.149 -15.430 59.608 1.00 0.00 H new ATOM 1647 N VAL B 54 70.291 -8.804 58.751 1.00 0.00 N ATOM 1648 CA VAL B 54 70.421 -7.414 59.286 1.00 0.00 C ATOM 1649 C VAL B 54 69.358 -7.184 60.363 1.00 0.00 C ATOM 1650 O VAL B 54 68.205 -7.526 60.197 1.00 0.00 O ATOM 1651 CB VAL B 54 70.223 -6.416 58.140 1.00 0.00 C ATOM 1652 CG1 VAL B 54 71.491 -6.365 57.283 1.00 0.00 C ATOM 1653 CG2 VAL B 54 69.045 -6.863 57.273 1.00 0.00 C ATOM 0 H VAL B 54 69.575 -8.924 58.035 1.00 0.00 H new ATOM 0 HA VAL B 54 71.410 -7.275 59.723 1.00 0.00 H new ATOM 0 HB VAL B 54 70.020 -5.427 58.551 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.351 -5.655 56.468 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.333 -6.049 57.898 1.00 0.00 H new ATOM 0 HG13 VAL B 54 71.693 -7.354 56.872 1.00 0.00 H new ATOM 0 HG21 VAL B 54 68.904 -6.154 56.458 1.00 0.00 H new ATOM 0 HG22 VAL B 54 69.250 -7.852 56.862 1.00 0.00 H new ATOM 0 HG23 VAL B 54 68.141 -6.903 57.880 1.00 0.00 H new ATOM 1663 N ASP B 55 69.741 -6.610 61.473 1.00 0.00 N ATOM 1664 CA ASP B 55 68.757 -6.360 62.567 1.00 0.00 C ATOM 1665 C ASP B 55 69.192 -5.134 63.374 1.00 0.00 C ATOM 1666 O ASP B 55 69.554 -5.306 64.525 1.00 0.00 O ATOM 1667 CB ASP B 55 68.701 -7.583 63.486 1.00 0.00 C ATOM 1668 CG ASP B 55 67.576 -7.407 64.507 1.00 0.00 C ATOM 1669 OD1 ASP B 55 67.176 -6.276 64.727 1.00 0.00 O ATOM 1670 OD2 ASP B 55 67.138 -8.404 65.055 1.00 0.00 O ATOM 1671 OXT ASP B 55 69.153 -4.046 62.825 1.00 0.00 O ATOM 0 H ASP B 55 70.694 -6.303 61.669 1.00 0.00 H new ATOM 0 HA ASP B 55 67.771 -6.180 62.138 1.00 0.00 H new ATOM 0 HB2 ASP B 55 68.534 -8.485 62.898 1.00 0.00 H new ATOM 0 HB3 ASP B 55 69.655 -7.709 63.999 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.736 -1.721 36.069 1.00 0.00 CD HETATM 1678 CD CD B 56 89.807 -21.673 38.818 1.00 0.00 CD