USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -6.76! C(o=-14!,f=-14!) USER MOD Set 1.2: B 44 GLN : amide:sc= -7.01! C(o=-14!,f=-14!) USER MOD Set 2.1: B 12 HIS : no HE2:sc= -1.13 K(o=-2.1,f=-3.4) USER MOD Set 2.2: B 16 HIS : no HD1:sc= -1.1 K(o=-2.1,f=-5.3!) USER MOD Set 2.3: B 40 CYS SG : rot 163:sc= 1.16 USER MOD Set 2.4: B 43 CYS SG : rot 70:sc= -1.01 USER MOD Set 3.1: A 12 HIS : no HE2:sc= -1.07 K(o=-2,f=-3.5) USER MOD Set 3.2: A 16 HIS : no HD1:sc= -1.25 K(o=-2,f=-4.9!) USER MOD Set 3.3: A 40 CYS SG : rot 163:sc= 1.07 USER MOD Set 3.4: A 43 CYS SG : rot 72:sc= -0.768 USER MOD Single : A 1 PHE N :NH3+ 153:sc= 0.164 (180deg=0.0187) USER MOD Single : A 7 LYS NZ :NH3+ 159:sc= -0.133 (180deg=-0.881) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 14 LYS NZ :NH3+ -116:sc= -1.08 (180deg=-3.03!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -62:sc= 1.13 USER MOD Single : A 18 ASN : amide:sc= -0.0659 K(o=-0.066,f=-2!) USER MOD Single : A 22 MET CE :methyl -154:sc= -0.0949 (180deg=-0.996) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0394 K(o=-0.039,f=-1.6!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 134:sc= 0.827 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.158 (180deg=0.0195) USER MOD Single : B 7 LYS NZ :NH3+ 159:sc= -0.166 (180deg=-0.868) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 14 LYS NZ :NH3+ -119:sc= -1.15 (180deg=-3.17!) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -72:sc= 1.13 USER MOD Single : B 18 ASN : amide:sc= -0.0454 K(o=-0.045,f=-1.9!) USER MOD Single : B 22 MET CE :methyl -157:sc= -0.111 (180deg=-1.01) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0415 K(o=-0.041,f=-1.4!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 119:sc= 0.877 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.439 -3.778 24.012 1.00 0.00 N ATOM 2 CA PHE A 1 94.274 -4.419 25.347 1.00 0.00 C ATOM 3 C PHE A 1 93.910 -3.345 26.377 1.00 0.00 C ATOM 4 O PHE A 1 92.752 -3.087 26.640 1.00 0.00 O ATOM 5 CB PHE A 1 95.591 -5.090 25.759 1.00 0.00 C ATOM 6 CG PHE A 1 95.751 -6.409 25.040 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.222 -7.581 25.597 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.437 -6.462 23.820 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.379 -8.802 24.934 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.595 -7.686 23.159 1.00 0.00 C ATOM 11 CZ PHE A 1 96.066 -8.855 23.716 1.00 0.00 C ATOM 0 H1 PHE A 1 95.096 -4.342 23.435 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.516 -3.726 23.535 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.821 -2.818 24.133 1.00 0.00 H new ATOM 0 HA PHE A 1 93.484 -5.168 25.298 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.430 -4.435 25.524 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.604 -5.251 26.837 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.693 -7.541 26.538 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.844 -5.559 23.389 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.970 -9.705 25.362 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.125 -7.728 22.219 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.188 -9.799 23.206 1.00 0.00 H new ATOM 23 N LEU A 2 94.896 -2.725 26.963 1.00 0.00 N ATOM 24 CA LEU A 2 94.624 -1.671 27.980 1.00 0.00 C ATOM 25 C LEU A 2 93.980 -0.454 27.310 1.00 0.00 C ATOM 26 O LEU A 2 93.082 0.161 27.851 1.00 0.00 O ATOM 27 CB LEU A 2 95.947 -1.249 28.626 1.00 0.00 C ATOM 28 CG LEU A 2 96.605 -2.452 29.315 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.993 -2.045 29.821 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.744 -2.926 30.501 1.00 0.00 C ATOM 0 H LEU A 2 95.883 -2.904 26.780 1.00 0.00 H new ATOM 0 HA LEU A 2 93.946 -2.064 28.737 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.617 -0.843 27.868 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.769 -0.456 29.353 1.00 0.00 H new ATOM 0 HG LEU A 2 96.695 -3.268 28.598 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.465 -2.896 30.312 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.607 -1.724 28.980 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.895 -1.225 30.532 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.223 -3.780 30.980 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.641 -2.116 31.223 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.758 -3.218 30.141 1.00 0.00 H new ATOM 42 N ASP A 3 94.437 -0.094 26.143 1.00 0.00 N ATOM 43 CA ASP A 3 93.858 1.091 25.444 1.00 0.00 C ATOM 44 C ASP A 3 92.380 0.856 25.133 1.00 0.00 C ATOM 45 O ASP A 3 91.552 1.726 25.317 1.00 0.00 O ATOM 46 CB ASP A 3 94.611 1.321 24.136 1.00 0.00 C ATOM 47 CG ASP A 3 96.026 1.822 24.436 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.854 1.009 24.813 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.258 3.009 24.278 1.00 0.00 O ATOM 0 H ASP A 3 95.187 -0.569 25.641 1.00 0.00 H new ATOM 0 HA ASP A 3 93.952 1.963 26.092 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.657 0.394 23.564 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.080 2.049 23.522 1.00 0.00 H new ATOM 54 N GLY A 4 92.039 -0.312 24.671 1.00 0.00 N ATOM 55 CA GLY A 4 90.610 -0.596 24.356 1.00 0.00 C ATOM 56 C GLY A 4 89.789 -0.472 25.638 1.00 0.00 C ATOM 57 O GLY A 4 88.683 0.031 25.639 1.00 0.00 O ATOM 0 H GLY A 4 92.685 -1.082 24.497 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.243 0.103 23.604 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.508 -1.597 23.938 1.00 0.00 H new ATOM 61 N ILE A 5 90.330 -0.934 26.728 1.00 0.00 N ATOM 62 CA ILE A 5 89.600 -0.861 28.024 1.00 0.00 C ATOM 63 C ILE A 5 89.460 0.595 28.474 1.00 0.00 C ATOM 64 O ILE A 5 88.442 0.992 29.004 1.00 0.00 O ATOM 65 CB ILE A 5 90.382 -1.650 29.080 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.279 -3.146 28.769 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.817 -1.363 30.478 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.263 -3.921 29.647 1.00 0.00 C ATOM 0 H ILE A 5 91.254 -1.363 26.778 1.00 0.00 H new ATOM 0 HA ILE A 5 88.604 -1.286 27.900 1.00 0.00 H new ATOM 0 HB ILE A 5 91.428 -1.346 29.059 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.262 -3.496 28.948 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.497 -3.325 27.716 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.380 -1.928 31.221 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.901 -0.298 30.693 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.769 -1.659 30.514 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.189 -4.985 29.425 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.278 -3.578 29.446 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.025 -3.752 30.697 1.00 0.00 H new ATOM 80 N ASP A 6 90.478 1.386 28.296 1.00 0.00 N ATOM 81 CA ASP A 6 90.392 2.799 28.750 1.00 0.00 C ATOM 82 C ASP A 6 89.242 3.506 28.033 1.00 0.00 C ATOM 83 O ASP A 6 88.426 4.158 28.654 1.00 0.00 O ATOM 84 CB ASP A 6 91.708 3.518 28.454 1.00 0.00 C ATOM 85 CG ASP A 6 91.635 4.955 28.973 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.684 5.640 28.635 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.529 5.345 29.705 1.00 0.00 O ATOM 0 H ASP A 6 91.360 1.118 27.859 1.00 0.00 H new ATOM 0 HA ASP A 6 90.207 2.818 29.824 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.536 2.991 28.927 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.901 3.517 27.381 1.00 0.00 H new ATOM 92 N LYS A 7 89.156 3.386 26.737 1.00 0.00 N ATOM 93 CA LYS A 7 88.038 4.062 26.021 1.00 0.00 C ATOM 94 C LYS A 7 86.714 3.385 26.379 1.00 0.00 C ATOM 95 O LYS A 7 85.705 4.032 26.570 1.00 0.00 O ATOM 96 CB LYS A 7 88.251 3.991 24.504 1.00 0.00 C ATOM 97 CG LYS A 7 89.422 4.889 24.108 1.00 0.00 C ATOM 98 CD LYS A 7 89.627 4.817 22.593 1.00 0.00 C ATOM 99 CE LYS A 7 90.793 5.722 22.198 1.00 0.00 C ATOM 100 NZ LYS A 7 92.004 5.337 22.974 1.00 0.00 N ATOM 0 H LYS A 7 89.801 2.857 26.150 1.00 0.00 H new ATOM 0 HA LYS A 7 88.012 5.108 26.326 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.450 2.963 24.202 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.346 4.306 23.984 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.225 5.917 24.411 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.328 4.573 24.624 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.830 3.790 22.290 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.719 5.128 22.076 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.990 5.635 21.129 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.540 6.764 22.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.854 5.679 22.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.958 5.761 23.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.047 4.301 23.060 1.00 0.00 H new ATOM 114 N ALA A 8 86.715 2.085 26.472 1.00 0.00 N ATOM 115 CA ALA A 8 85.464 1.354 26.820 1.00 0.00 C ATOM 116 C ALA A 8 85.092 1.618 28.282 1.00 0.00 C ATOM 117 O ALA A 8 83.938 1.570 28.658 1.00 0.00 O ATOM 118 CB ALA A 8 85.670 -0.145 26.605 1.00 0.00 C ATOM 0 H ALA A 8 87.532 1.494 26.321 1.00 0.00 H new ATOM 0 HA ALA A 8 84.656 1.705 26.179 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.754 -0.678 26.860 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.920 -0.332 25.561 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.483 -0.495 27.241 1.00 0.00 H new ATOM 124 N GLN A 9 86.064 1.874 29.115 1.00 0.00 N ATOM 125 CA GLN A 9 85.763 2.115 30.555 1.00 0.00 C ATOM 126 C GLN A 9 84.884 3.358 30.699 1.00 0.00 C ATOM 127 O GLN A 9 85.092 4.362 30.046 1.00 0.00 O ATOM 128 CB GLN A 9 87.073 2.316 31.323 1.00 0.00 C ATOM 129 CG GLN A 9 86.768 2.512 32.809 1.00 0.00 C ATOM 130 CD GLN A 9 88.078 2.554 33.600 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.066 3.087 33.135 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.125 2.015 34.789 1.00 0.00 N ATOM 0 H GLN A 9 87.051 1.927 28.862 1.00 0.00 H new ATOM 0 HA GLN A 9 85.232 1.254 30.962 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.724 1.453 31.185 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.606 3.183 30.933 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.212 3.438 32.958 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.138 1.700 33.172 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.296 1.568 35.179 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.991 2.042 35.327 1.00 0.00 H new ATOM 141 N GLU A 10 83.895 3.289 31.548 1.00 0.00 N ATOM 142 CA GLU A 10 82.984 4.452 31.745 1.00 0.00 C ATOM 143 C GLU A 10 82.094 4.176 32.963 1.00 0.00 C ATOM 144 O GLU A 10 81.993 3.057 33.422 1.00 0.00 O ATOM 145 CB GLU A 10 82.119 4.635 30.490 1.00 0.00 C ATOM 146 CG GLU A 10 81.515 6.045 30.468 1.00 0.00 C ATOM 147 CD GLU A 10 82.623 7.082 30.268 1.00 0.00 C ATOM 148 OE1 GLU A 10 83.255 7.053 29.225 1.00 0.00 O ATOM 149 OE2 GLU A 10 82.823 7.886 31.165 1.00 0.00 O ATOM 0 H GLU A 10 83.678 2.471 32.117 1.00 0.00 H new ATOM 0 HA GLU A 10 83.560 5.362 31.913 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.722 4.475 29.596 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.324 3.890 30.475 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.782 6.124 29.665 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.987 6.239 31.402 1.00 0.00 H new ATOM 156 N GLU A 11 81.457 5.181 33.498 1.00 0.00 N ATOM 157 CA GLU A 11 80.591 4.956 34.692 1.00 0.00 C ATOM 158 C GLU A 11 79.656 3.771 34.430 1.00 0.00 C ATOM 159 O GLU A 11 79.574 3.268 33.326 1.00 0.00 O ATOM 160 CB GLU A 11 79.779 6.224 34.976 1.00 0.00 C ATOM 161 CG GLU A 11 78.728 6.427 33.882 1.00 0.00 C ATOM 162 CD GLU A 11 78.143 7.837 33.994 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.726 8.747 33.425 1.00 0.00 O ATOM 164 OE2 GLU A 11 77.124 7.984 34.649 1.00 0.00 O ATOM 0 H GLU A 11 81.497 6.144 33.163 1.00 0.00 H new ATOM 0 HA GLU A 11 81.210 4.730 35.560 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.293 6.145 35.949 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.442 7.088 35.020 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.178 6.285 32.899 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.936 5.684 33.980 1.00 0.00 H new ATOM 171 N HIS A 12 78.966 3.304 35.438 1.00 0.00 N ATOM 172 CA HIS A 12 78.061 2.134 35.242 1.00 0.00 C ATOM 173 C HIS A 12 76.854 2.534 34.397 1.00 0.00 C ATOM 174 O HIS A 12 75.769 2.751 34.899 1.00 0.00 O ATOM 175 CB HIS A 12 77.582 1.616 36.598 1.00 0.00 C ATOM 176 CG HIS A 12 76.772 0.359 36.407 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.359 -0.884 36.198 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.417 0.133 36.425 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.366 -1.794 36.109 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.167 -1.223 36.242 1.00 0.00 N ATOM 0 H HIS A 12 78.990 3.681 36.385 1.00 0.00 H new ATOM 0 HA HIS A 12 78.613 1.349 34.726 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.437 1.414 37.243 1.00 0.00 H new ATOM 0 HB3 HIS A 12 76.979 2.376 37.096 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.359 -1.074 36.125 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.661 0.892 36.561 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.522 -2.851 35.950 1.00 0.00 H new ATOM 188 N GLU A 13 77.039 2.612 33.112 1.00 0.00 N ATOM 189 CA GLU A 13 75.914 2.974 32.209 1.00 0.00 C ATOM 190 C GLU A 13 75.012 1.751 32.035 1.00 0.00 C ATOM 191 O GLU A 13 75.349 0.659 32.444 1.00 0.00 O ATOM 192 CB GLU A 13 76.461 3.398 30.846 1.00 0.00 C ATOM 193 CG GLU A 13 77.176 4.746 30.967 1.00 0.00 C ATOM 194 CD GLU A 13 77.746 5.144 29.603 1.00 0.00 C ATOM 195 OE1 GLU A 13 78.355 4.298 28.968 1.00 0.00 O ATOM 196 OE2 GLU A 13 77.563 6.287 29.216 1.00 0.00 O ATOM 0 H GLU A 13 77.929 2.439 32.644 1.00 0.00 H new ATOM 0 HA GLU A 13 75.348 3.800 32.639 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.152 2.643 30.471 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.647 3.472 30.125 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.481 5.508 31.319 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.977 4.680 31.703 1.00 0.00 H new ATOM 203 N LYS A 14 73.872 1.920 31.431 1.00 0.00 N ATOM 204 CA LYS A 14 72.965 0.759 31.232 1.00 0.00 C ATOM 205 C LYS A 14 73.670 -0.244 30.312 1.00 0.00 C ATOM 206 O LYS A 14 73.445 -1.435 30.381 1.00 0.00 O ATOM 207 CB LYS A 14 71.651 1.234 30.597 1.00 0.00 C ATOM 208 CG LYS A 14 70.875 2.074 31.617 1.00 0.00 C ATOM 209 CD LYS A 14 69.521 2.497 31.033 1.00 0.00 C ATOM 210 CE LYS A 14 69.722 3.338 29.762 1.00 0.00 C ATOM 211 NZ LYS A 14 69.803 2.437 28.578 1.00 0.00 N ATOM 0 H LYS A 14 73.529 2.809 31.067 1.00 0.00 H new ATOM 0 HA LYS A 14 72.733 0.286 32.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.857 1.823 29.704 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.054 0.378 30.283 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.722 1.500 32.531 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.454 2.957 31.888 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.926 1.613 30.801 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.963 3.072 31.772 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.896 4.039 29.643 1.00 0.00 H new ATOM 0 HE3 LYS A 14 70.634 3.930 29.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 70.747 2.513 28.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 69.637 1.455 28.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.082 2.713 27.882 1.00 0.00 H new ATOM 225 N TYR A 15 74.538 0.238 29.458 1.00 0.00 N ATOM 226 CA TYR A 15 75.280 -0.673 28.536 1.00 0.00 C ATOM 227 C TYR A 15 76.109 -1.679 29.343 1.00 0.00 C ATOM 228 O TYR A 15 76.436 -2.746 28.861 1.00 0.00 O ATOM 229 CB TYR A 15 76.222 0.145 27.641 1.00 0.00 C ATOM 230 CG TYR A 15 75.434 0.811 26.539 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.744 2.001 26.792 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.397 0.237 25.261 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.017 2.618 25.769 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.670 0.852 24.238 1.00 0.00 C ATOM 235 CZ TYR A 15 73.980 2.045 24.492 1.00 0.00 C ATOM 236 OH TYR A 15 73.265 2.658 23.483 1.00 0.00 O ATOM 0 H TYR A 15 74.765 1.228 29.360 1.00 0.00 H new ATOM 0 HA TYR A 15 74.557 -1.208 27.920 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.740 0.898 28.235 1.00 0.00 H new ATOM 0 HB3 TYR A 15 76.986 -0.504 27.213 1.00 0.00 H new ATOM 0 HD1 TYR A 15 74.773 2.443 27.777 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.931 -0.681 25.066 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.484 3.537 25.964 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.640 0.409 23.254 1.00 0.00 H new ATOM 0 HH TYR A 15 73.344 2.132 22.660 1.00 0.00 H new ATOM 246 N HIS A 16 76.464 -1.357 30.558 1.00 0.00 N ATOM 247 CA HIS A 16 77.282 -2.315 31.356 1.00 0.00 C ATOM 248 C HIS A 16 76.515 -3.630 31.513 1.00 0.00 C ATOM 249 O HIS A 16 77.088 -4.698 31.426 1.00 0.00 O ATOM 250 CB HIS A 16 77.575 -1.716 32.746 1.00 0.00 C ATOM 251 CG HIS A 16 78.796 -0.835 32.686 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.604 -0.610 33.797 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.379 -0.145 31.652 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.619 0.183 33.404 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.526 0.492 32.109 1.00 0.00 N ATOM 0 H HIS A 16 76.227 -0.483 31.028 1.00 0.00 H new ATOM 0 HA HIS A 16 78.224 -2.503 30.842 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.717 -1.138 33.089 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.730 -2.516 33.470 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.004 -0.104 30.640 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.409 0.526 34.055 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.164 1.075 31.567 1.00 0.00 H new ATOM 263 N SER A 17 75.231 -3.578 31.728 1.00 0.00 N ATOM 264 CA SER A 17 74.470 -4.850 31.868 1.00 0.00 C ATOM 265 C SER A 17 74.611 -5.657 30.575 1.00 0.00 C ATOM 266 O SER A 17 74.830 -6.852 30.597 1.00 0.00 O ATOM 267 CB SER A 17 72.995 -4.543 32.126 1.00 0.00 C ATOM 268 OG SER A 17 72.445 -3.897 30.986 1.00 0.00 O ATOM 0 H SER A 17 74.681 -2.723 31.812 1.00 0.00 H new ATOM 0 HA SER A 17 74.864 -5.425 32.706 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.451 -5.464 32.335 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.892 -3.906 33.005 1.00 0.00 H new ATOM 0 HG SER A 17 72.908 -3.046 30.837 1.00 0.00 H new ATOM 274 N ASN A 18 74.505 -5.008 29.442 1.00 0.00 N ATOM 275 CA ASN A 18 74.651 -5.731 28.140 1.00 0.00 C ATOM 276 C ASN A 18 76.107 -5.660 27.684 1.00 0.00 C ATOM 277 O ASN A 18 76.484 -4.803 26.910 1.00 0.00 O ATOM 278 CB ASN A 18 73.758 -5.075 27.086 1.00 0.00 C ATOM 279 CG ASN A 18 72.294 -5.387 27.396 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.999 -6.353 28.071 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.359 -4.608 26.929 1.00 0.00 N ATOM 0 H ASN A 18 74.323 -4.007 29.362 1.00 0.00 H new ATOM 0 HA ASN A 18 74.356 -6.772 28.268 1.00 0.00 H new ATOM 0 HB2 ASN A 18 73.918 -3.997 27.078 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.018 -5.443 26.093 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.380 -4.809 27.130 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.607 -3.797 26.362 1.00 0.00 H new ATOM 288 N TRP A 19 76.929 -6.555 28.154 1.00 0.00 N ATOM 289 CA TRP A 19 78.358 -6.541 27.742 1.00 0.00 C ATOM 290 C TRP A 19 78.480 -6.961 26.274 1.00 0.00 C ATOM 291 O TRP A 19 79.418 -6.596 25.592 1.00 0.00 O ATOM 292 CB TRP A 19 79.176 -7.474 28.640 1.00 0.00 C ATOM 293 CG TRP A 19 78.790 -8.898 28.405 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.961 -9.619 29.193 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.210 -9.786 27.331 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.846 -10.895 28.671 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.597 -11.046 27.521 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.055 -9.620 26.220 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.817 -12.107 26.640 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.277 -10.681 25.331 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.659 -11.923 25.540 1.00 0.00 C ATOM 0 H TRP A 19 76.672 -7.296 28.806 1.00 0.00 H new ATOM 0 HA TRP A 19 78.751 -5.530 27.850 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.239 -7.341 28.439 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.014 -7.215 29.686 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.469 -9.258 30.084 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.277 -11.634 29.084 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.537 -8.668 26.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.340 -13.062 26.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.928 -10.541 24.480 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.834 -12.736 24.851 1.00 0.00 H new ATOM 312 N ARG A 20 77.551 -7.737 25.784 1.00 0.00 N ATOM 313 CA ARG A 20 77.633 -8.186 24.366 1.00 0.00 C ATOM 314 C ARG A 20 77.601 -6.970 23.437 1.00 0.00 C ATOM 315 O ARG A 20 78.321 -6.904 22.461 1.00 0.00 O ATOM 316 CB ARG A 20 76.428 -9.070 24.040 1.00 0.00 C ATOM 317 CG ARG A 20 76.534 -10.407 24.772 1.00 0.00 C ATOM 318 CD ARG A 20 75.347 -11.282 24.369 1.00 0.00 C ATOM 319 NE ARG A 20 75.412 -11.522 22.898 1.00 0.00 N ATOM 320 CZ ARG A 20 74.659 -12.429 22.343 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.818 -13.116 23.066 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.744 -12.643 21.059 1.00 0.00 N ATOM 0 H ARG A 20 76.742 -8.078 26.303 1.00 0.00 H new ATOM 0 HA ARG A 20 78.560 -8.742 24.225 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.508 -8.562 24.329 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.374 -9.240 22.965 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.472 -10.903 24.520 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.537 -10.248 25.850 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.374 -12.229 24.909 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.409 -10.792 24.632 1.00 0.00 H new ATOM 0 HE ARG A 20 76.050 -10.972 22.323 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.748 -12.944 24.069 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.230 -13.825 22.628 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.398 -12.101 20.494 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.157 -13.352 20.620 1.00 0.00 H new ATOM 336 N ALA A 21 76.768 -6.012 23.732 1.00 0.00 N ATOM 337 CA ALA A 21 76.683 -4.802 22.864 1.00 0.00 C ATOM 338 C ALA A 21 78.039 -4.095 22.833 1.00 0.00 C ATOM 339 O ALA A 21 78.476 -3.610 21.808 1.00 0.00 O ATOM 340 CB ALA A 21 75.623 -3.850 23.424 1.00 0.00 C ATOM 0 H ALA A 21 76.141 -6.013 24.537 1.00 0.00 H new ATOM 0 HA ALA A 21 76.409 -5.100 21.852 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.559 -2.965 22.792 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.656 -4.353 23.444 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.898 -3.554 24.436 1.00 0.00 H new ATOM 346 N MET A 22 78.702 -4.027 23.952 1.00 0.00 N ATOM 347 CA MET A 22 80.024 -3.344 23.998 1.00 0.00 C ATOM 348 C MET A 22 81.008 -4.045 23.061 1.00 0.00 C ATOM 349 O MET A 22 81.756 -3.411 22.344 1.00 0.00 O ATOM 350 CB MET A 22 80.565 -3.411 25.426 1.00 0.00 C ATOM 351 CG MET A 22 81.785 -2.497 25.565 1.00 0.00 C ATOM 352 SD MET A 22 82.723 -2.955 27.044 1.00 0.00 S ATOM 353 CE MET A 22 81.380 -2.805 28.249 1.00 0.00 C ATOM 0 H MET A 22 78.385 -4.416 24.840 1.00 0.00 H new ATOM 0 HA MET A 22 79.906 -2.307 23.684 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.791 -3.109 26.132 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.838 -4.437 25.673 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.417 -2.581 24.681 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.467 -1.457 25.632 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.796 -2.589 29.233 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.713 -1.996 27.952 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.821 -3.740 28.289 1.00 0.00 H new ATOM 363 N ALA A 23 81.023 -5.346 23.070 1.00 0.00 N ATOM 364 CA ALA A 23 81.970 -6.083 22.189 1.00 0.00 C ATOM 365 C ALA A 23 81.686 -5.739 20.725 1.00 0.00 C ATOM 366 O ALA A 23 82.586 -5.476 19.951 1.00 0.00 O ATOM 367 CB ALA A 23 81.791 -7.587 22.404 1.00 0.00 C ATOM 0 H ALA A 23 80.421 -5.932 23.649 1.00 0.00 H new ATOM 0 HA ALA A 23 82.993 -5.796 22.433 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.482 -8.131 21.761 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.995 -7.832 23.446 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.768 -7.870 22.158 1.00 0.00 H new ATOM 373 N SER A 24 80.440 -5.746 20.342 1.00 0.00 N ATOM 374 CA SER A 24 80.086 -5.430 18.928 1.00 0.00 C ATOM 375 C SER A 24 80.452 -3.979 18.602 1.00 0.00 C ATOM 376 O SER A 24 80.927 -3.677 17.526 1.00 0.00 O ATOM 377 CB SER A 24 78.583 -5.635 18.729 1.00 0.00 C ATOM 378 OG SER A 24 78.281 -7.019 18.846 1.00 0.00 O ATOM 0 H SER A 24 79.648 -5.958 20.949 1.00 0.00 H new ATOM 0 HA SER A 24 80.642 -6.091 18.263 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.025 -5.065 19.471 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.280 -5.266 17.749 1.00 0.00 H new ATOM 0 HG SER A 24 77.319 -7.156 18.721 1.00 0.00 H new ATOM 384 N ASP A 25 80.225 -3.078 19.516 1.00 0.00 N ATOM 385 CA ASP A 25 80.548 -1.647 19.247 1.00 0.00 C ATOM 386 C ASP A 25 82.053 -1.478 19.017 1.00 0.00 C ATOM 387 O ASP A 25 82.476 -0.725 18.163 1.00 0.00 O ATOM 388 CB ASP A 25 80.113 -0.790 20.439 1.00 0.00 C ATOM 389 CG ASP A 25 78.585 -0.727 20.492 1.00 0.00 C ATOM 390 OD1 ASP A 25 77.960 -1.155 19.535 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.065 -0.249 21.487 1.00 0.00 O ATOM 0 H ASP A 25 79.830 -3.269 20.437 1.00 0.00 H new ATOM 0 HA ASP A 25 80.015 -1.327 18.352 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.502 -1.212 21.365 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.526 0.215 20.348 1.00 0.00 H new ATOM 396 N PHE A 26 82.866 -2.166 19.776 1.00 0.00 N ATOM 397 CA PHE A 26 84.351 -2.040 19.613 1.00 0.00 C ATOM 398 C PHE A 26 84.897 -3.220 18.807 1.00 0.00 C ATOM 399 O PHE A 26 86.085 -3.320 18.580 1.00 0.00 O ATOM 400 CB PHE A 26 85.008 -2.027 20.994 1.00 0.00 C ATOM 401 CG PHE A 26 84.734 -0.704 21.666 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.601 0.374 21.457 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.614 -0.551 22.496 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.354 1.603 22.076 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.367 0.680 23.116 1.00 0.00 C ATOM 406 CZ PHE A 26 84.238 1.758 22.905 1.00 0.00 C ATOM 0 H PHE A 26 82.567 -2.813 20.506 1.00 0.00 H new ATOM 0 HA PHE A 26 84.574 -1.114 19.083 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.619 -2.844 21.602 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.082 -2.184 20.899 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.463 0.257 20.816 1.00 0.00 H new ATOM 0 HD2 PHE A 26 82.943 -1.382 22.657 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.025 2.433 21.914 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.506 0.799 23.757 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.047 2.708 23.382 1.00 0.00 H new ATOM 416 N ASN A 27 84.046 -4.109 18.375 1.00 0.00 N ATOM 417 CA ASN A 27 84.523 -5.281 17.582 1.00 0.00 C ATOM 418 C ASN A 27 85.610 -6.027 18.369 1.00 0.00 C ATOM 419 O ASN A 27 86.646 -6.367 17.834 1.00 0.00 O ATOM 420 CB ASN A 27 85.097 -4.807 16.241 1.00 0.00 C ATOM 421 CG ASN A 27 83.966 -4.288 15.352 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.839 -4.725 15.466 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.223 -3.364 14.465 1.00 0.00 N ATOM 0 H ASN A 27 83.039 -4.076 18.536 1.00 0.00 H new ATOM 0 HA ASN A 27 83.683 -5.950 17.396 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.833 -4.020 16.407 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.615 -5.628 15.745 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.477 -3.009 13.867 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.170 -2.998 14.370 1.00 0.00 H new ATOM 430 N LEU A 28 85.378 -6.282 19.636 1.00 0.00 N ATOM 431 CA LEU A 28 86.389 -7.008 20.479 1.00 0.00 C ATOM 432 C LEU A 28 85.761 -8.311 20.991 1.00 0.00 C ATOM 433 O LEU A 28 84.562 -8.387 21.165 1.00 0.00 O ATOM 434 CB LEU A 28 86.755 -6.133 21.685 1.00 0.00 C ATOM 435 CG LEU A 28 87.532 -4.891 21.228 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.565 -3.874 22.372 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.972 -5.267 20.828 1.00 0.00 C ATOM 0 H LEU A 28 84.525 -6.017 20.128 1.00 0.00 H new ATOM 0 HA LEU A 28 87.280 -7.223 19.889 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.850 -5.830 22.211 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.356 -6.707 22.390 1.00 0.00 H new ATOM 0 HG LEU A 28 87.034 -4.461 20.359 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.116 -2.988 22.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.546 -3.592 22.638 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.057 -4.317 23.238 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.506 -4.372 20.507 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.484 -5.708 21.683 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.946 -5.987 20.010 1.00 0.00 H new ATOM 449 N PRO A 29 86.549 -9.334 21.242 1.00 0.00 N ATOM 450 CA PRO A 29 86.011 -10.631 21.750 1.00 0.00 C ATOM 451 C PRO A 29 85.516 -10.502 23.207 1.00 0.00 C ATOM 452 O PRO A 29 86.051 -9.724 23.971 1.00 0.00 O ATOM 453 CB PRO A 29 87.211 -11.588 21.655 1.00 0.00 C ATOM 454 CG PRO A 29 88.416 -10.705 21.732 1.00 0.00 C ATOM 455 CD PRO A 29 88.015 -9.380 21.073 1.00 0.00 C ATOM 0 HA PRO A 29 85.149 -10.978 21.181 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.202 -12.315 22.467 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.194 -12.152 20.722 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.719 -10.549 22.767 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.263 -11.156 21.216 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.500 -8.531 21.554 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.298 -9.355 20.021 1.00 0.00 H new ATOM 463 N PRO A 30 84.508 -11.253 23.598 1.00 0.00 N ATOM 464 CA PRO A 30 83.964 -11.197 24.987 1.00 0.00 C ATOM 465 C PRO A 30 85.066 -11.107 26.053 1.00 0.00 C ATOM 466 O PRO A 30 84.822 -10.726 27.180 1.00 0.00 O ATOM 467 CB PRO A 30 83.203 -12.524 25.124 1.00 0.00 C ATOM 468 CG PRO A 30 82.763 -12.875 23.735 1.00 0.00 C ATOM 469 CD PRO A 30 83.774 -12.234 22.770 1.00 0.00 C ATOM 0 HA PRO A 30 83.348 -10.311 25.142 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.842 -13.302 25.542 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.348 -12.420 25.792 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.734 -13.956 23.601 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.757 -12.503 23.543 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.448 -12.980 22.348 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.271 -11.749 21.933 1.00 0.00 H new ATOM 477 N VAL A 31 86.267 -11.491 25.715 1.00 0.00 N ATOM 478 CA VAL A 31 87.368 -11.465 26.721 1.00 0.00 C ATOM 479 C VAL A 31 87.597 -10.047 27.248 1.00 0.00 C ATOM 480 O VAL A 31 87.646 -9.825 28.441 1.00 0.00 O ATOM 481 CB VAL A 31 88.653 -11.981 26.055 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.865 -11.763 26.970 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.500 -13.474 25.753 1.00 0.00 C ATOM 0 H VAL A 31 86.534 -11.821 24.787 1.00 0.00 H new ATOM 0 HA VAL A 31 87.094 -12.099 27.565 1.00 0.00 H new ATOM 0 HB VAL A 31 88.816 -11.428 25.130 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.764 -12.136 26.478 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.979 -10.699 27.176 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.715 -12.300 27.907 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.410 -13.845 25.280 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.327 -14.017 26.682 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.655 -13.625 25.081 1.00 0.00 H new ATOM 493 N VAL A 32 87.741 -9.086 26.384 1.00 0.00 N ATOM 494 CA VAL A 32 87.971 -7.701 26.874 1.00 0.00 C ATOM 495 C VAL A 32 86.691 -7.182 27.533 1.00 0.00 C ATOM 496 O VAL A 32 86.727 -6.543 28.567 1.00 0.00 O ATOM 497 CB VAL A 32 88.367 -6.796 25.702 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.374 -5.331 26.155 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.768 -7.181 25.214 1.00 0.00 C ATOM 0 H VAL A 32 87.710 -9.196 25.370 1.00 0.00 H new ATOM 0 HA VAL A 32 88.779 -7.699 27.606 1.00 0.00 H new ATOM 0 HB VAL A 32 87.647 -6.920 24.893 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.656 -4.693 25.318 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.379 -5.053 26.504 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.091 -5.204 26.966 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.052 -6.539 24.380 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.483 -7.058 26.027 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.766 -8.221 24.887 1.00 0.00 H new ATOM 509 N ALA A 33 85.558 -7.453 26.943 1.00 0.00 N ATOM 510 CA ALA A 33 84.278 -6.975 27.539 1.00 0.00 C ATOM 511 C ALA A 33 84.061 -7.648 28.897 1.00 0.00 C ATOM 512 O ALA A 33 83.675 -7.010 29.856 1.00 0.00 O ATOM 513 CB ALA A 33 83.110 -7.302 26.602 1.00 0.00 C ATOM 0 H ALA A 33 85.464 -7.983 26.077 1.00 0.00 H new ATOM 0 HA ALA A 33 84.328 -5.895 27.677 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.179 -6.949 27.045 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.265 -6.809 25.642 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.055 -8.380 26.452 1.00 0.00 H new ATOM 519 N LYS A 34 84.313 -8.928 28.995 1.00 0.00 N ATOM 520 CA LYS A 34 84.124 -9.620 30.303 1.00 0.00 C ATOM 521 C LYS A 34 85.073 -9.034 31.348 1.00 0.00 C ATOM 522 O LYS A 34 84.727 -8.909 32.506 1.00 0.00 O ATOM 523 CB LYS A 34 84.350 -11.131 30.159 1.00 0.00 C ATOM 524 CG LYS A 34 83.127 -11.766 29.488 1.00 0.00 C ATOM 525 CD LYS A 34 83.344 -13.273 29.342 1.00 0.00 C ATOM 526 CE LYS A 34 82.096 -13.914 28.726 1.00 0.00 C ATOM 527 NZ LYS A 34 82.357 -15.358 28.466 1.00 0.00 N ATOM 0 H LYS A 34 84.639 -9.520 28.231 1.00 0.00 H new ATOM 0 HA LYS A 34 83.097 -9.462 30.632 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.244 -11.321 29.565 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.516 -11.580 31.138 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.233 -11.573 30.082 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.963 -11.316 28.509 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.213 -13.466 28.713 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.550 -13.717 30.316 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.246 -13.802 29.400 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.835 -13.407 27.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.510 -15.794 28.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.157 -15.453 27.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.586 -15.836 29.361 1.00 0.00 H new ATOM 541 N GLU A 35 86.272 -8.691 30.965 1.00 0.00 N ATOM 542 CA GLU A 35 87.226 -8.131 31.962 1.00 0.00 C ATOM 543 C GLU A 35 86.644 -6.853 32.568 1.00 0.00 C ATOM 544 O GLU A 35 86.752 -6.617 33.754 1.00 0.00 O ATOM 545 CB GLU A 35 88.562 -7.819 31.277 1.00 0.00 C ATOM 546 CG GLU A 35 89.560 -7.262 32.305 1.00 0.00 C ATOM 547 CD GLU A 35 89.287 -5.775 32.548 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.014 -5.078 31.584 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.358 -5.360 33.691 1.00 0.00 O ATOM 0 H GLU A 35 86.630 -8.773 30.013 1.00 0.00 H new ATOM 0 HA GLU A 35 87.391 -8.861 32.755 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.965 -8.722 30.818 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.410 -7.095 30.476 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.476 -7.813 33.241 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.580 -7.399 31.945 1.00 0.00 H new ATOM 556 N ILE A 36 86.015 -6.029 31.777 1.00 0.00 N ATOM 557 CA ILE A 36 85.429 -4.780 32.341 1.00 0.00 C ATOM 558 C ILE A 36 84.378 -5.158 33.390 1.00 0.00 C ATOM 559 O ILE A 36 84.282 -4.548 34.436 1.00 0.00 O ATOM 560 CB ILE A 36 84.781 -3.969 31.219 1.00 0.00 C ATOM 561 CG1 ILE A 36 85.870 -3.473 30.264 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.048 -2.766 31.816 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.222 -2.950 28.982 1.00 0.00 C ATOM 0 H ILE A 36 85.882 -6.163 30.775 1.00 0.00 H new ATOM 0 HA ILE A 36 86.209 -4.177 32.806 1.00 0.00 H new ATOM 0 HB ILE A 36 84.072 -4.596 30.678 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.453 -2.683 30.738 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.561 -4.283 30.031 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.586 -2.188 31.016 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.277 -3.114 32.504 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.758 -2.138 32.354 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.996 -2.596 28.301 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.659 -3.752 28.506 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.549 -2.128 29.224 1.00 0.00 H new ATOM 575 N VAL A 37 83.603 -6.174 33.123 1.00 0.00 N ATOM 576 CA VAL A 37 82.572 -6.616 34.105 1.00 0.00 C ATOM 577 C VAL A 37 83.275 -7.107 35.370 1.00 0.00 C ATOM 578 O VAL A 37 82.840 -6.861 36.477 1.00 0.00 O ATOM 579 CB VAL A 37 81.751 -7.755 33.498 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.859 -8.384 34.573 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.876 -7.204 32.370 1.00 0.00 C ATOM 0 H VAL A 37 83.640 -6.720 32.262 1.00 0.00 H new ATOM 0 HA VAL A 37 81.909 -5.786 34.351 1.00 0.00 H new ATOM 0 HB VAL A 37 82.426 -8.514 33.103 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.277 -9.194 34.134 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.481 -8.778 35.377 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.184 -7.628 34.974 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.290 -8.014 31.936 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.205 -6.443 32.769 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.509 -6.762 31.601 1.00 0.00 H new ATOM 591 N ALA A 38 84.361 -7.807 35.203 1.00 0.00 N ATOM 592 CA ALA A 38 85.110 -8.327 36.378 1.00 0.00 C ATOM 593 C ALA A 38 85.671 -7.155 37.183 1.00 0.00 C ATOM 594 O ALA A 38 85.674 -7.172 38.398 1.00 0.00 O ATOM 595 CB ALA A 38 86.262 -9.213 35.899 1.00 0.00 C ATOM 0 H ALA A 38 84.764 -8.043 34.296 1.00 0.00 H new ATOM 0 HA ALA A 38 84.439 -8.913 37.006 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.811 -9.594 36.760 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.863 -10.049 35.324 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.934 -8.628 35.271 1.00 0.00 H new ATOM 601 N SER A 39 86.157 -6.141 36.520 1.00 0.00 N ATOM 602 CA SER A 39 86.726 -4.979 37.260 1.00 0.00 C ATOM 603 C SER A 39 85.597 -4.180 37.910 1.00 0.00 C ATOM 604 O SER A 39 85.711 -3.731 39.033 1.00 0.00 O ATOM 605 CB SER A 39 87.498 -4.081 36.293 1.00 0.00 C ATOM 606 OG SER A 39 88.669 -4.759 35.863 1.00 0.00 O ATOM 0 H SER A 39 86.185 -6.067 35.503 1.00 0.00 H new ATOM 0 HA SER A 39 87.403 -5.342 38.033 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.874 -3.828 35.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.764 -3.144 36.782 1.00 0.00 H new ATOM 0 HG SER A 39 88.758 -4.674 34.891 1.00 0.00 H new ATOM 612 N CYS A 40 84.500 -4.013 37.227 1.00 0.00 N ATOM 613 CA CYS A 40 83.369 -3.260 37.831 1.00 0.00 C ATOM 614 C CYS A 40 82.679 -4.170 38.851 1.00 0.00 C ATOM 615 O CYS A 40 82.007 -5.119 38.500 1.00 0.00 O ATOM 616 CB CYS A 40 82.377 -2.842 36.739 1.00 0.00 C ATOM 617 SG CYS A 40 81.161 -1.689 37.429 1.00 0.00 S ATOM 0 H CYS A 40 84.339 -4.363 36.283 1.00 0.00 H new ATOM 0 HA CYS A 40 83.736 -2.359 38.323 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.909 -2.373 35.911 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.872 -3.720 36.337 1.00 0.00 H new ATOM 0 HG CYS A 40 80.559 -1.063 36.462 1.00 0.00 H new ATOM 622 N ASP A 41 82.856 -3.891 40.112 1.00 0.00 N ATOM 623 CA ASP A 41 82.232 -4.736 41.170 1.00 0.00 C ATOM 624 C ASP A 41 80.714 -4.724 41.015 1.00 0.00 C ATOM 625 O ASP A 41 80.052 -5.727 41.199 1.00 0.00 O ATOM 626 CB ASP A 41 82.611 -4.191 42.549 1.00 0.00 C ATOM 627 CG ASP A 41 84.096 -4.448 42.807 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.906 -3.698 42.289 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.398 -5.392 43.520 1.00 0.00 O ATOM 0 H ASP A 41 83.410 -3.108 40.458 1.00 0.00 H new ATOM 0 HA ASP A 41 82.593 -5.760 41.071 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.401 -3.123 42.600 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.008 -4.671 43.320 1.00 0.00 H new ATOM 634 N LYS A 42 80.156 -3.595 40.699 1.00 0.00 N ATOM 635 CA LYS A 42 78.679 -3.505 40.556 1.00 0.00 C ATOM 636 C LYS A 42 78.201 -4.461 39.458 1.00 0.00 C ATOM 637 O LYS A 42 77.179 -5.105 39.591 1.00 0.00 O ATOM 638 CB LYS A 42 78.306 -2.075 40.172 1.00 0.00 C ATOM 639 CG LYS A 42 78.577 -1.145 41.359 1.00 0.00 C ATOM 640 CD LYS A 42 78.210 0.303 40.997 1.00 0.00 C ATOM 641 CE LYS A 42 79.344 0.959 40.199 1.00 0.00 C ATOM 642 NZ LYS A 42 78.975 2.367 39.885 1.00 0.00 N ATOM 0 H LYS A 42 80.661 -2.724 40.532 1.00 0.00 H new ATOM 0 HA LYS A 42 78.206 -3.778 41.499 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.885 -1.756 39.306 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.255 -2.025 39.888 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.997 -1.469 42.223 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.628 -1.201 41.641 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.290 0.316 40.412 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.018 0.874 41.905 1.00 0.00 H new ATOM 0 HE2 LYS A 42 80.270 0.933 40.773 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.524 0.404 39.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.742 2.814 39.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.101 2.379 39.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 78.824 2.892 40.770 1.00 0.00 H new ATOM 656 N CYS A 43 78.925 -4.564 38.375 1.00 0.00 N ATOM 657 CA CYS A 43 78.495 -5.485 37.283 1.00 0.00 C ATOM 658 C CYS A 43 78.796 -6.930 37.683 1.00 0.00 C ATOM 659 O CYS A 43 78.113 -7.854 37.285 1.00 0.00 O ATOM 660 CB CYS A 43 79.273 -5.186 36.001 1.00 0.00 C ATOM 661 SG CYS A 43 79.086 -3.450 35.543 1.00 0.00 S ATOM 0 H CYS A 43 79.790 -4.053 38.200 1.00 0.00 H new ATOM 0 HA CYS A 43 77.427 -5.343 37.116 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.328 -5.419 36.145 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.913 -5.823 35.193 1.00 0.00 H new ATOM 0 HG CYS A 43 79.755 -2.707 36.374 1.00 0.00 H new ATOM 666 N GLN A 44 79.845 -7.135 38.432 1.00 0.00 N ATOM 667 CA GLN A 44 80.233 -8.520 38.822 1.00 0.00 C ATOM 668 C GLN A 44 79.375 -9.034 39.980 1.00 0.00 C ATOM 669 O GLN A 44 78.575 -9.934 39.818 1.00 0.00 O ATOM 670 CB GLN A 44 81.704 -8.523 39.243 1.00 0.00 C ATOM 671 CG GLN A 44 82.172 -9.960 39.467 1.00 0.00 C ATOM 672 CD GLN A 44 83.654 -9.959 39.846 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.388 -8.920 39.555 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.149 -10.913 40.412 1.00 0.00 N ATOM 0 H GLN A 44 80.453 -6.399 38.792 1.00 0.00 H new ATOM 0 HA GLN A 44 80.077 -9.177 37.966 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.313 -8.047 38.474 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.832 -7.942 40.156 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.584 -10.427 40.257 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.017 -10.550 38.563 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.575 -11.725 40.639 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.138 -10.902 40.660 1.00 0.00 H new ATOM 844 N PHE B 1 94.040 -14.113 21.995 1.00 0.00 N ATOM 845 CA PHE B 1 92.829 -13.828 22.818 1.00 0.00 C ATOM 846 C PHE B 1 92.228 -15.152 23.295 1.00 0.00 C ATOM 847 O PHE B 1 92.534 -15.640 24.364 1.00 0.00 O ATOM 848 CB PHE B 1 91.793 -13.078 21.969 1.00 0.00 C ATOM 849 CG PHE B 1 92.169 -11.620 21.855 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.730 -10.705 22.822 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.948 -11.182 20.780 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.073 -9.354 22.711 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.291 -9.829 20.669 1.00 0.00 C ATOM 854 CZ PHE B 1 92.853 -8.915 21.635 1.00 0.00 C ATOM 0 H1 PHE B 1 94.178 -13.348 21.304 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.874 -14.175 22.614 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.914 -15.015 21.492 1.00 0.00 H new ATOM 0 HA PHE B 1 93.105 -13.214 23.675 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.734 -13.524 20.976 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.805 -13.172 22.420 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.127 -11.043 23.652 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.285 -11.887 20.035 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.736 -8.649 23.456 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.893 -9.491 19.839 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.117 -7.871 21.550 1.00 0.00 H new ATOM 866 N LEU B 2 91.367 -15.732 22.503 1.00 0.00 N ATOM 867 CA LEU B 2 90.734 -17.022 22.894 1.00 0.00 C ATOM 868 C LEU B 2 91.783 -18.136 22.917 1.00 0.00 C ATOM 869 O LEU B 2 91.775 -18.994 23.779 1.00 0.00 O ATOM 870 CB LEU B 2 89.645 -17.380 21.880 1.00 0.00 C ATOM 871 CG LEU B 2 88.575 -16.282 21.851 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.584 -16.577 20.722 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.824 -16.234 23.196 1.00 0.00 C ATOM 0 H LEU B 2 91.074 -15.365 21.598 1.00 0.00 H new ATOM 0 HA LEU B 2 90.298 -16.918 23.888 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.084 -17.498 20.889 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.191 -18.335 22.144 1.00 0.00 H new ATOM 0 HG LEU B 2 89.055 -15.318 21.682 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.820 -15.800 20.696 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.113 -16.598 19.769 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.112 -17.544 20.896 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.067 -15.450 23.162 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.343 -17.195 23.379 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.530 -16.023 23.999 1.00 0.00 H new ATOM 885 N ASP B 3 92.678 -18.140 21.967 1.00 0.00 N ATOM 886 CA ASP B 3 93.719 -19.207 21.922 1.00 0.00 C ATOM 887 C ASP B 3 94.603 -19.138 23.167 1.00 0.00 C ATOM 888 O ASP B 3 94.926 -20.143 23.769 1.00 0.00 O ATOM 889 CB ASP B 3 94.588 -19.003 20.682 1.00 0.00 C ATOM 890 CG ASP B 3 93.784 -19.340 19.424 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.974 -18.520 19.025 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.999 -20.409 18.878 1.00 0.00 O ATOM 0 H ASP B 3 92.734 -17.449 21.219 1.00 0.00 H new ATOM 0 HA ASP B 3 93.230 -20.180 21.886 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.936 -17.971 20.637 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.474 -19.636 20.739 1.00 0.00 H new ATOM 897 N GLY B 4 94.994 -17.962 23.562 1.00 0.00 N ATOM 898 CA GLY B 4 95.853 -17.833 24.772 1.00 0.00 C ATOM 899 C GLY B 4 95.091 -18.374 25.977 1.00 0.00 C ATOM 900 O GLY B 4 95.644 -19.027 26.840 1.00 0.00 O ATOM 0 H GLY B 4 94.757 -17.084 23.101 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.783 -18.385 24.635 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.123 -16.789 24.934 1.00 0.00 H new ATOM 904 N ILE B 5 93.821 -18.098 26.039 1.00 0.00 N ATOM 905 CA ILE B 5 93.000 -18.581 27.181 1.00 0.00 C ATOM 906 C ILE B 5 92.873 -20.105 27.140 1.00 0.00 C ATOM 907 O ILE B 5 92.903 -20.765 28.161 1.00 0.00 O ATOM 908 CB ILE B 5 91.605 -17.949 27.090 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.707 -16.454 27.414 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.652 -18.639 28.076 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.384 -15.762 27.072 1.00 0.00 C ATOM 0 H ILE B 5 93.312 -17.554 25.342 1.00 0.00 H new ATOM 0 HA ILE B 5 93.482 -18.297 28.116 1.00 0.00 H new ATOM 0 HB ILE B 5 91.213 -18.075 26.081 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.939 -16.316 28.470 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.522 -16.004 26.847 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.664 -18.185 28.005 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.582 -19.699 27.833 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.033 -18.524 29.091 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.459 -14.699 27.303 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.171 -15.888 26.010 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.579 -16.205 27.659 1.00 0.00 H new ATOM 923 N ASP B 6 92.704 -20.669 25.979 1.00 0.00 N ATOM 924 CA ASP B 6 92.543 -22.147 25.898 1.00 0.00 C ATOM 925 C ASP B 6 93.782 -22.838 26.467 1.00 0.00 C ATOM 926 O ASP B 6 93.679 -23.731 27.284 1.00 0.00 O ATOM 927 CB ASP B 6 92.336 -22.564 24.441 1.00 0.00 C ATOM 928 CG ASP B 6 92.120 -24.077 24.374 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.931 -24.797 24.931 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.143 -24.489 23.769 1.00 0.00 O ATOM 0 H ASP B 6 92.670 -20.175 25.087 1.00 0.00 H new ATOM 0 HA ASP B 6 91.672 -22.445 26.482 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.476 -22.043 24.020 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.203 -22.282 23.843 1.00 0.00 H new ATOM 935 N LYS B 7 94.954 -22.436 26.060 1.00 0.00 N ATOM 936 CA LYS B 7 96.176 -23.087 26.614 1.00 0.00 C ATOM 937 C LYS B 7 96.332 -22.717 28.089 1.00 0.00 C ATOM 938 O LYS B 7 96.691 -23.538 28.910 1.00 0.00 O ATOM 939 CB LYS B 7 97.417 -22.627 25.843 1.00 0.00 C ATOM 940 CG LYS B 7 97.394 -23.218 24.433 1.00 0.00 C ATOM 941 CD LYS B 7 98.644 -22.775 23.670 1.00 0.00 C ATOM 942 CE LYS B 7 98.620 -23.377 22.263 1.00 0.00 C ATOM 943 NZ LYS B 7 97.346 -23.006 21.582 1.00 0.00 N ATOM 0 H LYS B 7 95.119 -21.696 25.378 1.00 0.00 H new ATOM 0 HA LYS B 7 96.074 -24.168 26.515 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.443 -21.539 25.791 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.320 -22.943 26.366 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.354 -24.306 24.485 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.498 -22.890 23.905 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.682 -21.687 23.612 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.540 -23.097 24.200 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.471 -23.014 21.687 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.712 -24.462 22.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.465 -23.093 20.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.586 -23.642 21.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.098 -22.025 21.820 1.00 0.00 H new ATOM 957 N ALA B 8 96.060 -21.491 28.429 1.00 0.00 N ATOM 958 CA ALA B 8 96.185 -21.058 29.850 1.00 0.00 C ATOM 959 C ALA B 8 95.087 -21.706 30.695 1.00 0.00 C ATOM 960 O ALA B 8 95.249 -21.920 31.881 1.00 0.00 O ATOM 961 CB ALA B 8 96.068 -19.536 29.936 1.00 0.00 C ATOM 0 H ALA B 8 95.755 -20.764 27.782 1.00 0.00 H new ATOM 0 HA ALA B 8 97.157 -21.370 30.231 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.160 -19.222 30.976 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.861 -19.076 29.347 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.099 -19.223 29.547 1.00 0.00 H new ATOM 967 N GLN B 9 93.962 -21.998 30.103 1.00 0.00 N ATOM 968 CA GLN B 9 92.848 -22.610 30.883 1.00 0.00 C ATOM 969 C GLN B 9 93.285 -23.971 31.429 1.00 0.00 C ATOM 970 O GLN B 9 93.920 -24.753 30.749 1.00 0.00 O ATOM 971 CB GLN B 9 91.628 -22.785 29.975 1.00 0.00 C ATOM 972 CG GLN B 9 90.468 -23.363 30.787 1.00 0.00 C ATOM 973 CD GLN B 9 89.199 -23.387 29.931 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.258 -23.635 28.743 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.045 -23.140 30.491 1.00 0.00 N ATOM 0 H GLN B 9 93.765 -21.840 29.115 1.00 0.00 H new ATOM 0 HA GLN B 9 92.589 -21.958 31.717 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.342 -21.826 29.543 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.871 -23.448 29.145 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.712 -24.372 31.120 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.303 -22.763 31.682 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.996 -22.932 31.488 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.193 -23.155 29.931 1.00 0.00 H new ATOM 984 N GLU B 10 92.948 -24.254 32.659 1.00 0.00 N ATOM 985 CA GLU B 10 93.338 -25.557 33.270 1.00 0.00 C ATOM 986 C GLU B 10 92.600 -25.710 34.605 1.00 0.00 C ATOM 987 O GLU B 10 92.069 -24.757 35.139 1.00 0.00 O ATOM 988 CB GLU B 10 94.856 -25.576 33.502 1.00 0.00 C ATOM 989 CG GLU B 10 95.344 -27.017 33.697 1.00 0.00 C ATOM 990 CD GLU B 10 95.192 -27.800 32.390 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.839 -27.432 31.422 1.00 0.00 O ATOM 992 OE2 GLU B 10 94.429 -28.752 32.379 1.00 0.00 O ATOM 0 H GLU B 10 92.416 -23.634 33.270 1.00 0.00 H new ATOM 0 HA GLU B 10 93.072 -26.381 32.608 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.367 -25.123 32.652 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.105 -24.978 34.379 1.00 0.00 H new ATOM 0 HG2 GLU B 10 96.387 -27.017 34.012 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.772 -27.500 34.489 1.00 0.00 H new ATOM 999 N GLU B 11 92.547 -26.897 35.146 1.00 0.00 N ATOM 1000 CA GLU B 11 91.827 -27.089 36.437 1.00 0.00 C ATOM 1001 C GLU B 11 92.294 -26.033 37.445 1.00 0.00 C ATOM 1002 O GLU B 11 93.241 -25.310 37.204 1.00 0.00 O ATOM 1003 CB GLU B 11 92.111 -28.496 36.974 1.00 0.00 C ATOM 1004 CG GLU B 11 93.569 -28.599 37.427 1.00 0.00 C ATOM 1005 CD GLU B 11 93.926 -30.069 37.660 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.331 -30.718 36.710 1.00 0.00 O ATOM 1007 OE2 GLU B 11 93.784 -30.522 38.784 1.00 0.00 O ATOM 0 H GLU B 11 92.969 -27.738 34.752 1.00 0.00 H new ATOM 0 HA GLU B 11 90.754 -26.978 36.280 1.00 0.00 H new ATOM 0 HB2 GLU B 11 91.446 -28.717 37.809 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.909 -29.237 36.201 1.00 0.00 H new ATOM 0 HG2 GLU B 11 94.227 -28.169 36.672 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.718 -28.027 38.343 1.00 0.00 H new ATOM 1014 N HIS B 12 91.627 -25.922 38.564 1.00 0.00 N ATOM 1015 CA HIS B 12 92.026 -24.891 39.568 1.00 0.00 C ATOM 1016 C HIS B 12 93.359 -25.265 40.212 1.00 0.00 C ATOM 1017 O HIS B 12 93.413 -25.755 41.323 1.00 0.00 O ATOM 1018 CB HIS B 12 90.953 -24.785 40.650 1.00 0.00 C ATOM 1019 CG HIS B 12 91.289 -23.657 41.591 1.00 0.00 C ATOM 1020 ND1 HIS B 12 91.037 -22.325 41.282 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.829 -23.652 42.854 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.413 -21.582 42.344 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.901 -22.344 43.324 1.00 0.00 N ATOM 0 H HIS B 12 90.827 -26.498 38.826 1.00 0.00 H new ATOM 0 HA HIS B 12 92.133 -23.932 39.061 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.978 -24.612 40.193 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.885 -25.723 41.201 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.640 -21.973 40.411 1.00 0.00 H new ATOM 0 HD2 HIS B 12 92.149 -24.528 43.399 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.329 -20.506 42.394 1.00 0.00 H new ATOM 1031 N GLU B 13 94.434 -25.015 39.524 1.00 0.00 N ATOM 1032 CA GLU B 13 95.777 -25.324 40.081 1.00 0.00 C ATOM 1033 C GLU B 13 96.146 -24.249 41.101 1.00 0.00 C ATOM 1034 O GLU B 13 95.478 -23.241 41.222 1.00 0.00 O ATOM 1035 CB GLU B 13 96.815 -25.330 38.959 1.00 0.00 C ATOM 1036 CG GLU B 13 96.592 -26.544 38.054 1.00 0.00 C ATOM 1037 CD GLU B 13 97.616 -26.525 36.916 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.793 -25.473 36.323 1.00 0.00 O ATOM 1039 OE2 GLU B 13 98.207 -27.560 36.659 1.00 0.00 O ATOM 0 H GLU B 13 94.440 -24.606 38.590 1.00 0.00 H new ATOM 0 HA GLU B 13 95.758 -26.304 40.557 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.740 -24.412 38.376 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.820 -25.359 39.381 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.690 -27.464 38.630 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.581 -26.528 37.648 1.00 0.00 H new ATOM 1046 N LYS B 14 97.203 -24.445 41.832 1.00 0.00 N ATOM 1047 CA LYS B 14 97.604 -23.421 42.832 1.00 0.00 C ATOM 1048 C LYS B 14 97.971 -22.139 42.081 1.00 0.00 C ATOM 1049 O LYS B 14 97.839 -21.044 42.591 1.00 0.00 O ATOM 1050 CB LYS B 14 98.805 -23.926 43.640 1.00 0.00 C ATOM 1051 CG LYS B 14 98.358 -25.091 44.531 1.00 0.00 C ATOM 1052 CD LYS B 14 99.527 -25.570 45.403 1.00 0.00 C ATOM 1053 CE LYS B 14 100.690 -26.054 44.522 1.00 0.00 C ATOM 1054 NZ LYS B 14 101.575 -24.901 44.194 1.00 0.00 N ATOM 0 H LYS B 14 97.805 -25.267 41.782 1.00 0.00 H new ATOM 0 HA LYS B 14 96.785 -23.225 43.524 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.600 -24.250 42.969 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.212 -23.120 44.251 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.528 -24.777 45.164 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.995 -25.912 43.913 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.864 -24.758 46.048 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.195 -26.378 46.055 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.258 -26.826 45.042 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.305 -26.503 43.607 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.597 -24.762 43.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.209 -24.042 44.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.537 -25.093 44.538 1.00 0.00 H new ATOM 1068 N TYR B 15 98.420 -22.270 40.860 1.00 0.00 N ATOM 1069 CA TYR B 15 98.787 -21.067 40.056 1.00 0.00 C ATOM 1070 C TYR B 15 97.563 -20.160 39.877 1.00 0.00 C ATOM 1071 O TYR B 15 97.694 -18.975 39.643 1.00 0.00 O ATOM 1072 CB TYR B 15 99.289 -21.500 38.674 1.00 0.00 C ATOM 1073 CG TYR B 15 100.708 -22.005 38.778 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.956 -23.313 39.208 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.774 -21.162 38.442 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.272 -23.779 39.302 1.00 0.00 C ATOM 1077 CE2 TYR B 15 103.090 -21.627 38.536 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.340 -22.937 38.966 1.00 0.00 C ATOM 1079 OH TYR B 15 104.637 -23.398 39.056 1.00 0.00 O ATOM 0 H TYR B 15 98.549 -23.163 40.383 1.00 0.00 H new ATOM 0 HA TYR B 15 99.572 -20.523 40.581 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.644 -22.281 38.272 1.00 0.00 H new ATOM 0 HB3 TYR B 15 99.243 -20.660 37.981 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.133 -23.962 39.467 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.580 -20.153 38.110 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.465 -24.789 39.634 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.913 -20.977 38.277 1.00 0.00 H new ATOM 0 HH TYR B 15 105.256 -22.688 38.785 1.00 0.00 H new ATOM 1089 N HIS B 16 96.375 -20.695 39.970 1.00 0.00 N ATOM 1090 CA HIS B 16 95.170 -19.838 39.782 1.00 0.00 C ATOM 1091 C HIS B 16 95.172 -18.725 40.834 1.00 0.00 C ATOM 1092 O HIS B 16 94.841 -17.593 40.541 1.00 0.00 O ATOM 1093 CB HIS B 16 93.891 -20.688 39.925 1.00 0.00 C ATOM 1094 CG HIS B 16 93.543 -21.333 38.607 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.237 -21.685 38.274 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.309 -21.668 37.517 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.261 -22.201 37.030 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.498 -22.212 36.527 1.00 0.00 N ATOM 0 H HIS B 16 96.188 -21.678 40.166 1.00 0.00 H new ATOM 0 HA HIS B 16 95.192 -19.398 38.785 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.039 -21.455 40.685 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.065 -20.061 40.261 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.377 -21.530 37.441 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.389 -22.561 36.505 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.787 -22.549 35.609 1.00 0.00 H new ATOM 1106 N SER B 17 95.544 -19.021 42.045 1.00 0.00 N ATOM 1107 CA SER B 17 95.565 -17.949 43.078 1.00 0.00 C ATOM 1108 C SER B 17 96.539 -16.854 42.633 1.00 0.00 C ATOM 1109 O SER B 17 96.253 -15.677 42.731 1.00 0.00 O ATOM 1110 CB SER B 17 96.020 -18.531 44.414 1.00 0.00 C ATOM 1111 OG SER B 17 97.369 -18.964 44.301 1.00 0.00 O ATOM 0 H SER B 17 95.831 -19.946 42.363 1.00 0.00 H new ATOM 0 HA SER B 17 94.566 -17.529 43.197 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.931 -17.781 45.200 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.380 -19.367 44.697 1.00 0.00 H new ATOM 0 HG SER B 17 97.407 -19.778 43.756 1.00 0.00 H new ATOM 1117 N ASN B 18 97.685 -17.233 42.125 1.00 0.00 N ATOM 1118 CA ASN B 18 98.671 -16.214 41.653 1.00 0.00 C ATOM 1119 C ASN B 18 98.457 -15.953 40.163 1.00 0.00 C ATOM 1120 O ASN B 18 99.111 -16.535 39.321 1.00 0.00 O ATOM 1121 CB ASN B 18 100.091 -16.733 41.877 1.00 0.00 C ATOM 1122 CG ASN B 18 100.405 -16.728 43.373 1.00 0.00 C ATOM 1123 OD1 ASN B 18 99.795 -16.001 44.131 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.339 -17.514 43.834 1.00 0.00 N ATOM 0 H ASN B 18 97.980 -18.203 42.017 1.00 0.00 H new ATOM 0 HA ASN B 18 98.530 -15.288 42.211 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.188 -17.743 41.478 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.807 -16.108 41.342 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.557 -17.518 44.831 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.852 -18.125 43.198 1.00 0.00 H new ATOM 1131 N TRP B 19 97.548 -15.080 39.830 1.00 0.00 N ATOM 1132 CA TRP B 19 97.297 -14.782 38.394 1.00 0.00 C ATOM 1133 C TRP B 19 98.487 -14.016 37.805 1.00 0.00 C ATOM 1134 O TRP B 19 98.739 -14.067 36.617 1.00 0.00 O ATOM 1135 CB TRP B 19 96.008 -13.965 38.247 1.00 0.00 C ATOM 1136 CG TRP B 19 96.180 -12.599 38.832 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.734 -12.214 40.051 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.822 -11.434 38.244 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.061 -10.884 40.246 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.733 -10.359 39.160 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.467 -11.207 37.015 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.264 -9.103 38.866 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.004 -9.947 36.717 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.903 -8.896 37.640 1.00 0.00 C ATOM 0 H TRP B 19 96.969 -14.561 40.490 1.00 0.00 H new ATOM 0 HA TRP B 19 97.180 -15.718 37.848 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.741 -13.884 37.193 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.186 -14.479 38.746 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.209 -12.842 40.756 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.834 -10.356 41.089 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.549 -12.009 36.296 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.182 -8.297 39.580 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.499 -9.785 35.771 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.319 -7.928 37.404 1.00 0.00 H new ATOM 1155 N ARG B 20 99.213 -13.297 38.621 1.00 0.00 N ATOM 1156 CA ARG B 20 100.375 -12.522 38.095 1.00 0.00 C ATOM 1157 C ARG B 20 101.395 -13.476 37.469 1.00 0.00 C ATOM 1158 O ARG B 20 101.967 -13.199 36.434 1.00 0.00 O ATOM 1159 CB ARG B 20 101.059 -11.783 39.247 1.00 0.00 C ATOM 1160 CG ARG B 20 100.170 -10.650 39.759 1.00 0.00 C ATOM 1161 CD ARG B 20 100.916 -9.895 40.860 1.00 0.00 C ATOM 1162 NE ARG B 20 102.157 -9.310 40.278 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.844 -8.423 40.942 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.464 -8.062 42.139 1.00 0.00 N ATOM 1165 NH2 ARG B 20 103.913 -7.900 40.406 1.00 0.00 N ATOM 0 H ARG B 20 99.052 -13.213 39.625 1.00 0.00 H new ATOM 0 HA ARG B 20 100.016 -11.814 37.348 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.273 -12.480 40.057 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.015 -11.380 38.912 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.915 -9.973 38.944 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.233 -11.051 40.145 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.285 -9.108 41.274 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.164 -10.569 41.680 1.00 0.00 H new ATOM 0 HE ARG B 20 102.471 -9.606 39.354 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.629 -8.474 42.555 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.002 -7.368 42.657 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.207 -8.186 39.472 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.454 -7.206 40.921 1.00 0.00 H new ATOM 1179 N ALA B 21 101.629 -14.594 38.094 1.00 0.00 N ATOM 1180 CA ALA B 21 102.613 -15.567 37.544 1.00 0.00 C ATOM 1181 C ALA B 21 102.158 -16.032 36.161 1.00 0.00 C ATOM 1182 O ALA B 21 102.952 -16.200 35.256 1.00 0.00 O ATOM 1183 CB ALA B 21 102.718 -16.773 38.482 1.00 0.00 C ATOM 0 H ALA B 21 101.180 -14.878 38.965 1.00 0.00 H new ATOM 0 HA ALA B 21 103.588 -15.087 37.460 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.438 -17.485 38.080 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.048 -16.441 39.466 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.743 -17.253 38.569 1.00 0.00 H new ATOM 1189 N MET B 22 100.884 -16.253 35.996 1.00 0.00 N ATOM 1190 CA MET B 22 100.366 -16.722 34.679 1.00 0.00 C ATOM 1191 C MET B 22 100.671 -15.683 33.601 1.00 0.00 C ATOM 1192 O MET B 22 101.076 -16.012 32.505 1.00 0.00 O ATOM 1193 CB MET B 22 98.852 -16.907 34.779 1.00 0.00 C ATOM 1194 CG MET B 22 98.331 -17.631 33.533 1.00 0.00 C ATOM 1195 SD MET B 22 96.542 -17.391 33.397 1.00 0.00 S ATOM 1196 CE MET B 22 96.080 -18.028 35.027 1.00 0.00 C ATOM 0 H MET B 22 100.176 -16.129 36.719 1.00 0.00 H new ATOM 0 HA MET B 22 100.845 -17.665 34.416 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.605 -17.480 35.673 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.364 -15.937 34.877 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.829 -17.248 32.642 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.562 -18.694 33.594 1.00 0.00 H new ATOM 0 HE1 MET B 22 95.039 -18.352 35.010 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.719 -18.874 35.282 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.203 -17.243 35.773 1.00 0.00 H new ATOM 1206 N ALA B 23 100.469 -14.432 33.901 1.00 0.00 N ATOM 1207 CA ALA B 23 100.737 -13.373 32.888 1.00 0.00 C ATOM 1208 C ALA B 23 102.211 -13.407 32.482 1.00 0.00 C ATOM 1209 O ALA B 23 102.548 -13.331 31.317 1.00 0.00 O ATOM 1210 CB ALA B 23 100.410 -12.005 33.490 1.00 0.00 C ATOM 0 H ALA B 23 100.130 -14.096 34.803 1.00 0.00 H new ATOM 0 HA ALA B 23 100.117 -13.548 32.009 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.605 -11.227 32.752 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.359 -11.976 33.779 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.033 -11.836 34.369 1.00 0.00 H new ATOM 1216 N SER B 24 103.090 -13.511 33.438 1.00 0.00 N ATOM 1217 CA SER B 24 104.544 -13.538 33.118 1.00 0.00 C ATOM 1218 C SER B 24 104.886 -14.798 32.320 1.00 0.00 C ATOM 1219 O SER B 24 105.677 -14.763 31.398 1.00 0.00 O ATOM 1220 CB SER B 24 105.345 -13.522 34.421 1.00 0.00 C ATOM 1221 OG SER B 24 105.168 -12.265 35.061 1.00 0.00 O ATOM 0 H SER B 24 102.864 -13.579 34.430 1.00 0.00 H new ATOM 0 HA SER B 24 104.796 -12.664 32.518 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.013 -14.327 35.076 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.402 -13.693 34.215 1.00 0.00 H new ATOM 0 HG SER B 24 105.678 -12.249 35.898 1.00 0.00 H new ATOM 1227 N ASP B 25 104.307 -15.912 32.670 1.00 0.00 N ATOM 1228 CA ASP B 25 104.615 -17.171 31.934 1.00 0.00 C ATOM 1229 C ASP B 25 104.188 -17.049 30.467 1.00 0.00 C ATOM 1230 O ASP B 25 104.875 -17.507 29.575 1.00 0.00 O ATOM 1231 CB ASP B 25 103.865 -18.336 32.587 1.00 0.00 C ATOM 1232 CG ASP B 25 104.492 -18.645 33.948 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.547 -18.101 34.228 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.905 -19.420 34.685 1.00 0.00 O ATOM 0 H ASP B 25 103.635 -16.006 33.432 1.00 0.00 H new ATOM 0 HA ASP B 25 105.689 -17.351 31.975 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.812 -18.082 32.709 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.909 -19.216 31.946 1.00 0.00 H new ATOM 1239 N PHE B 26 103.059 -16.442 30.211 1.00 0.00 N ATOM 1240 CA PHE B 26 102.578 -16.296 28.799 1.00 0.00 C ATOM 1241 C PHE B 26 102.885 -14.891 28.275 1.00 0.00 C ATOM 1242 O PHE B 26 102.554 -14.557 27.156 1.00 0.00 O ATOM 1243 CB PHE B 26 101.065 -16.530 28.757 1.00 0.00 C ATOM 1244 CG PHE B 26 100.778 -17.999 28.950 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.743 -18.854 27.842 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.551 -18.508 30.235 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.481 -20.217 28.017 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.289 -19.873 30.410 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.254 -20.727 29.299 1.00 0.00 C ATOM 0 H PHE B 26 102.445 -16.039 30.919 1.00 0.00 H new ATOM 0 HA PHE B 26 103.089 -17.027 28.172 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.574 -15.947 29.536 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.660 -16.192 27.803 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.918 -18.461 26.851 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.578 -17.849 31.090 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.454 -20.876 27.162 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.114 -20.267 31.400 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.052 -21.779 29.433 1.00 0.00 H new ATOM 1259 N ASN B 27 103.514 -14.068 29.071 1.00 0.00 N ATOM 1260 CA ASN B 27 103.841 -12.685 28.613 1.00 0.00 C ATOM 1261 C ASN B 27 102.561 -11.984 28.132 1.00 0.00 C ATOM 1262 O ASN B 27 102.539 -11.374 27.081 1.00 0.00 O ATOM 1263 CB ASN B 27 104.858 -12.739 27.463 1.00 0.00 C ATOM 1264 CG ASN B 27 106.214 -13.208 27.993 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.540 -12.991 29.144 1.00 0.00 O ATOM 1266 ND2 ASN B 27 107.026 -13.848 27.194 1.00 0.00 N ATOM 0 H ASN B 27 103.816 -14.293 30.019 1.00 0.00 H new ATOM 0 HA ASN B 27 104.271 -12.128 29.445 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.506 -13.418 26.686 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.957 -11.754 27.006 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.933 -14.165 27.536 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.753 -14.030 26.228 1.00 0.00 H new ATOM 1273 N LEU B 28 101.496 -12.068 28.898 1.00 0.00 N ATOM 1274 CA LEU B 28 100.201 -11.412 28.506 1.00 0.00 C ATOM 1275 C LEU B 28 99.827 -10.376 29.573 1.00 0.00 C ATOM 1276 O LEU B 28 100.180 -10.529 30.726 1.00 0.00 O ATOM 1277 CB LEU B 28 99.098 -12.476 28.452 1.00 0.00 C ATOM 1278 CG LEU B 28 99.348 -13.445 27.290 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.466 -14.683 27.471 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.026 -12.770 25.943 1.00 0.00 C ATOM 0 H LEU B 28 101.467 -12.568 29.787 1.00 0.00 H new ATOM 0 HA LEU B 28 100.309 -10.932 27.533 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.068 -13.026 29.393 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.127 -11.996 28.332 1.00 0.00 H new ATOM 0 HG LEU B 28 100.399 -13.735 27.288 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.639 -15.376 26.648 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.713 -15.171 28.414 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.418 -14.385 27.480 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.210 -13.473 25.131 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.980 -12.465 25.930 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.661 -11.893 25.814 1.00 0.00 H new ATOM 1292 N PRO B 29 99.115 -9.330 29.214 1.00 0.00 N ATOM 1293 CA PRO B 29 98.708 -8.286 30.198 1.00 0.00 C ATOM 1294 C PRO B 29 97.646 -8.823 31.183 1.00 0.00 C ATOM 1295 O PRO B 29 96.847 -9.665 30.826 1.00 0.00 O ATOM 1296 CB PRO B 29 98.134 -7.160 29.320 1.00 0.00 C ATOM 1297 CG PRO B 29 97.670 -7.843 28.073 1.00 0.00 C ATOM 1298 CD PRO B 29 98.623 -9.024 27.855 1.00 0.00 C ATOM 0 HA PRO B 29 99.537 -7.953 30.822 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.311 -6.649 29.820 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.890 -6.406 29.100 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.641 -8.187 28.177 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.694 -7.161 27.223 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.109 -9.878 27.413 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.440 -8.761 27.183 1.00 0.00 H new ATOM 1306 N PRO B 30 97.628 -8.346 32.411 1.00 0.00 N ATOM 1307 CA PRO B 30 96.640 -8.806 33.431 1.00 0.00 C ATOM 1308 C PRO B 30 95.225 -8.973 32.853 1.00 0.00 C ATOM 1309 O PRO B 30 94.386 -9.641 33.423 1.00 0.00 O ATOM 1310 CB PRO B 30 96.657 -7.680 34.476 1.00 0.00 C ATOM 1311 CG PRO B 30 98.031 -7.084 34.397 1.00 0.00 C ATOM 1312 CD PRO B 30 98.543 -7.326 32.967 1.00 0.00 C ATOM 0 HA PRO B 30 96.900 -9.787 33.830 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.892 -6.934 34.262 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.454 -8.067 35.474 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.003 -6.018 34.621 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.695 -7.546 35.128 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.520 -6.410 32.377 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.575 -7.678 32.969 1.00 0.00 H new ATOM 1320 N VAL B 31 94.947 -8.342 31.745 1.00 0.00 N ATOM 1321 CA VAL B 31 93.579 -8.434 31.155 1.00 0.00 C ATOM 1322 C VAL B 31 93.224 -9.884 30.824 1.00 0.00 C ATOM 1323 O VAL B 31 92.174 -10.369 31.198 1.00 0.00 O ATOM 1324 CB VAL B 31 93.537 -7.588 29.874 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.223 -7.820 29.117 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.658 -6.108 30.240 1.00 0.00 C ATOM 0 H VAL B 31 95.607 -7.767 31.222 1.00 0.00 H new ATOM 0 HA VAL B 31 92.853 -8.063 31.879 1.00 0.00 H new ATOM 0 HB VAL B 31 94.367 -7.882 29.232 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.212 -7.212 28.212 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.139 -8.873 28.848 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.383 -7.540 29.752 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.628 -5.505 29.332 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.830 -5.825 30.891 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.602 -5.937 30.758 1.00 0.00 H new ATOM 1336 N VAL B 32 94.070 -10.582 30.127 1.00 0.00 N ATOM 1337 CA VAL B 32 93.733 -11.991 29.787 1.00 0.00 C ATOM 1338 C VAL B 32 93.769 -12.837 31.062 1.00 0.00 C ATOM 1339 O VAL B 32 92.923 -13.679 31.285 1.00 0.00 O ATOM 1340 CB VAL B 32 94.737 -12.535 28.765 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.539 -14.046 28.595 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.508 -11.841 27.420 1.00 0.00 C ATOM 0 H VAL B 32 94.969 -10.246 29.781 1.00 0.00 H new ATOM 0 HA VAL B 32 92.735 -12.034 29.352 1.00 0.00 H new ATOM 0 HB VAL B 32 95.751 -12.343 29.115 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.255 -14.427 27.867 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.695 -14.543 29.552 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.526 -14.243 28.244 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.219 -12.223 26.688 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.492 -12.038 27.077 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.649 -10.766 27.536 1.00 0.00 H new ATOM 1352 N ALA B 33 94.748 -12.617 31.901 1.00 0.00 N ATOM 1353 CA ALA B 33 94.841 -13.407 33.162 1.00 0.00 C ATOM 1354 C ALA B 33 93.631 -13.109 34.052 1.00 0.00 C ATOM 1355 O ALA B 33 93.038 -14.003 34.622 1.00 0.00 O ATOM 1356 CB ALA B 33 96.135 -13.054 33.903 1.00 0.00 C ATOM 0 H ALA B 33 95.485 -11.925 31.767 1.00 0.00 H new ATOM 0 HA ALA B 33 94.850 -14.469 32.918 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.197 -13.634 34.823 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.992 -13.285 33.270 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.138 -11.991 34.144 1.00 0.00 H new ATOM 1362 N LYS B 34 93.249 -11.863 34.170 1.00 0.00 N ATOM 1363 CA LYS B 34 92.067 -11.529 35.017 1.00 0.00 C ATOM 1364 C LYS B 34 90.813 -12.190 34.445 1.00 0.00 C ATOM 1365 O LYS B 34 89.953 -12.638 35.176 1.00 0.00 O ATOM 1366 CB LYS B 34 91.878 -10.012 35.114 1.00 0.00 C ATOM 1367 CG LYS B 34 92.913 -9.431 36.084 1.00 0.00 C ATOM 1368 CD LYS B 34 92.730 -7.917 36.185 1.00 0.00 C ATOM 1369 CE LYS B 34 93.725 -7.348 37.200 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.633 -5.860 37.208 1.00 0.00 N ATOM 0 H LYS B 34 93.702 -11.068 33.719 1.00 0.00 H new ATOM 0 HA LYS B 34 92.240 -11.911 36.023 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.990 -9.557 34.130 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.870 -9.781 35.459 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.800 -9.887 37.068 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.920 -9.663 35.738 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.885 -7.456 35.210 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.710 -7.683 36.490 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.511 -7.741 38.194 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.738 -7.659 36.945 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.309 -5.474 37.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.857 -5.493 36.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.669 -5.573 37.471 1.00 0.00 H new ATOM 1384 N GLU B 35 90.685 -12.243 33.149 1.00 0.00 N ATOM 1385 CA GLU B 35 89.466 -12.866 32.563 1.00 0.00 C ATOM 1386 C GLU B 35 89.371 -14.324 33.016 1.00 0.00 C ATOM 1387 O GLU B 35 88.304 -14.813 33.328 1.00 0.00 O ATOM 1388 CB GLU B 35 89.538 -12.808 31.032 1.00 0.00 C ATOM 1389 CG GLU B 35 88.269 -13.434 30.428 1.00 0.00 C ATOM 1390 CD GLU B 35 88.394 -14.960 30.411 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.472 -15.444 30.108 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.409 -15.617 30.701 1.00 0.00 O ATOM 0 H GLU B 35 91.364 -11.886 32.476 1.00 0.00 H new ATOM 0 HA GLU B 35 88.585 -12.321 32.901 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.637 -11.774 30.702 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.421 -13.341 30.680 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.396 -13.139 31.010 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.117 -13.062 29.415 1.00 0.00 H new ATOM 1399 N ILE B 36 90.468 -15.028 33.066 1.00 0.00 N ATOM 1400 CA ILE B 36 90.403 -16.450 33.514 1.00 0.00 C ATOM 1401 C ILE B 36 89.867 -16.492 34.948 1.00 0.00 C ATOM 1402 O ILE B 36 89.069 -17.338 35.299 1.00 0.00 O ATOM 1403 CB ILE B 36 91.799 -17.072 33.459 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.249 -17.160 31.999 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.759 -18.480 34.062 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.745 -17.471 31.941 1.00 0.00 C ATOM 0 H ILE B 36 91.397 -14.687 32.819 1.00 0.00 H new ATOM 0 HA ILE B 36 89.741 -17.016 32.859 1.00 0.00 H new ATOM 0 HB ILE B 36 92.497 -16.456 34.026 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.686 -17.936 31.480 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.043 -16.220 31.487 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.755 -18.921 34.022 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.429 -18.422 35.099 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.064 -19.099 33.494 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.064 -17.533 30.900 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.301 -16.680 32.444 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.938 -18.422 32.437 1.00 0.00 H new ATOM 1418 N VAL B 37 90.290 -15.572 35.773 1.00 0.00 N ATOM 1419 CA VAL B 37 89.800 -15.535 37.182 1.00 0.00 C ATOM 1420 C VAL B 37 88.297 -15.252 37.172 1.00 0.00 C ATOM 1421 O VAL B 37 87.539 -15.810 37.941 1.00 0.00 O ATOM 1422 CB VAL B 37 90.530 -14.424 37.942 1.00 0.00 C ATOM 1423 CG1 VAL B 37 89.873 -14.202 39.307 1.00 0.00 C ATOM 1424 CG2 VAL B 37 91.992 -14.827 38.144 1.00 0.00 C ATOM 0 H VAL B 37 90.958 -14.840 35.530 1.00 0.00 H new ATOM 0 HA VAL B 37 89.991 -16.490 37.672 1.00 0.00 H new ATOM 0 HB VAL B 37 90.476 -13.501 37.365 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.399 -13.410 39.840 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.831 -13.915 39.167 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.920 -15.123 39.888 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.515 -14.039 38.685 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.038 -15.753 38.718 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.465 -14.977 37.174 1.00 0.00 H new ATOM 1434 N ALA B 38 87.872 -14.377 36.307 1.00 0.00 N ATOM 1435 CA ALA B 38 86.427 -14.034 36.229 1.00 0.00 C ATOM 1436 C ALA B 38 85.637 -15.259 35.771 1.00 0.00 C ATOM 1437 O ALA B 38 84.554 -15.524 36.250 1.00 0.00 O ATOM 1438 CB ALA B 38 86.228 -12.893 35.230 1.00 0.00 C ATOM 0 H ALA B 38 88.469 -13.881 35.645 1.00 0.00 H new ATOM 0 HA ALA B 38 86.073 -13.722 37.211 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.169 -12.641 35.172 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.792 -12.020 35.558 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.581 -13.204 34.247 1.00 0.00 H new ATOM 1444 N SER B 39 86.165 -16.006 34.839 1.00 0.00 N ATOM 1445 CA SER B 39 85.430 -17.208 34.354 1.00 0.00 C ATOM 1446 C SER B 39 85.463 -18.296 35.425 1.00 0.00 C ATOM 1447 O SER B 39 84.482 -18.972 35.663 1.00 0.00 O ATOM 1448 CB SER B 39 86.084 -17.729 33.077 1.00 0.00 C ATOM 1449 OG SER B 39 85.861 -16.798 32.027 1.00 0.00 O ATOM 0 H SER B 39 87.068 -15.837 34.395 1.00 0.00 H new ATOM 0 HA SER B 39 84.395 -16.937 34.145 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.153 -17.871 33.233 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.669 -18.701 32.812 1.00 0.00 H new ATOM 0 HG SER B 39 86.721 -16.461 31.701 1.00 0.00 H new ATOM 1455 N CYS B 40 86.572 -18.464 36.088 1.00 0.00 N ATOM 1456 CA CYS B 40 86.634 -19.501 37.152 1.00 0.00 C ATOM 1457 C CYS B 40 85.894 -18.971 38.383 1.00 0.00 C ATOM 1458 O CYS B 40 86.362 -18.084 39.069 1.00 0.00 O ATOM 1459 CB CYS B 40 88.096 -19.803 37.505 1.00 0.00 C ATOM 1460 SG CYS B 40 88.172 -21.253 38.589 1.00 0.00 S ATOM 0 H CYS B 40 87.431 -17.933 35.941 1.00 0.00 H new ATOM 0 HA CYS B 40 86.168 -20.423 36.805 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.670 -19.985 36.596 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.547 -18.942 38.000 1.00 0.00 H new ATOM 0 HG CYS B 40 89.383 -21.725 38.597 1.00 0.00 H new ATOM 1465 N ASP B 41 84.736 -19.505 38.658 1.00 0.00 N ATOM 1466 CA ASP B 41 83.942 -19.035 39.830 1.00 0.00 C ATOM 1467 C ASP B 41 84.741 -19.243 41.115 1.00 0.00 C ATOM 1468 O ASP B 41 84.716 -18.425 42.014 1.00 0.00 O ATOM 1469 CB ASP B 41 82.630 -19.822 39.908 1.00 0.00 C ATOM 1470 CG ASP B 41 81.715 -19.407 38.753 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.923 -19.895 37.654 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.820 -18.612 38.989 1.00 0.00 O ATOM 0 H ASP B 41 84.302 -20.253 38.117 1.00 0.00 H new ATOM 0 HA ASP B 41 83.723 -17.974 39.713 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.832 -20.892 39.859 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.137 -19.634 40.862 1.00 0.00 H new ATOM 1477 N LYS B 42 85.428 -20.340 41.218 1.00 0.00 N ATOM 1478 CA LYS B 42 86.211 -20.615 42.454 1.00 0.00 C ATOM 1479 C LYS B 42 87.255 -19.514 42.670 1.00 0.00 C ATOM 1480 O LYS B 42 87.481 -19.075 43.781 1.00 0.00 O ATOM 1481 CB LYS B 42 86.922 -21.957 42.294 1.00 0.00 C ATOM 1482 CG LYS B 42 85.883 -23.086 42.300 1.00 0.00 C ATOM 1483 CD LYS B 42 86.577 -24.449 42.141 1.00 0.00 C ATOM 1484 CE LYS B 42 86.891 -24.721 40.664 1.00 0.00 C ATOM 1485 NZ LYS B 42 87.539 -26.058 40.532 1.00 0.00 N ATOM 0 H LYS B 42 85.483 -21.062 40.499 1.00 0.00 H new ATOM 0 HA LYS B 42 85.540 -20.641 43.312 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.488 -21.973 41.362 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.637 -22.101 43.104 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.318 -23.064 43.232 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.169 -22.937 41.490 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.498 -24.465 42.724 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.936 -25.238 42.534 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.975 -24.689 40.074 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.549 -23.946 40.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 87.752 -26.243 39.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 88.421 -26.072 41.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.896 -26.792 40.891 1.00 0.00 H new ATOM 1499 N CYS B 43 87.890 -19.057 41.624 1.00 0.00 N ATOM 1500 CA CYS B 43 88.914 -17.982 41.790 1.00 0.00 C ATOM 1501 C CYS B 43 88.218 -16.637 42.018 1.00 0.00 C ATOM 1502 O CYS B 43 88.736 -15.762 42.683 1.00 0.00 O ATOM 1503 CB CYS B 43 89.759 -17.860 40.521 1.00 0.00 C ATOM 1504 SG CYS B 43 90.496 -19.453 40.102 1.00 0.00 S ATOM 0 H CYS B 43 87.746 -19.378 40.667 1.00 0.00 H new ATOM 0 HA CYS B 43 89.545 -18.238 42.641 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.139 -17.510 39.696 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.543 -17.117 40.668 1.00 0.00 H new ATOM 0 HG CYS B 43 89.567 -20.269 39.700 1.00 0.00 H new ATOM 1509 N GLN B 44 87.065 -16.456 41.433 1.00 0.00 N ATOM 1510 CA GLN B 44 86.346 -15.155 41.568 1.00 0.00 C ATOM 1511 C GLN B 44 85.614 -15.060 42.910 1.00 0.00 C ATOM 1512 O GLN B 44 85.973 -14.279 43.767 1.00 0.00 O ATOM 1513 CB GLN B 44 85.332 -15.027 40.430 1.00 0.00 C ATOM 1514 CG GLN B 44 84.717 -13.627 40.444 1.00 0.00 C ATOM 1515 CD GLN B 44 83.739 -13.487 39.276 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.883 -12.627 39.286 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.830 -14.305 38.261 1.00 0.00 N ATOM 0 H GLN B 44 86.588 -17.156 40.865 1.00 0.00 H new ATOM 0 HA GLN B 44 87.078 -14.349 41.522 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.820 -15.211 39.473 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.551 -15.779 40.540 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.200 -13.455 41.388 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.501 -12.873 40.368 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.549 -15.028 38.252 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.182 -14.220 37.478 1.00 0.00 H new