USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 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= -0.968 K(o=-3.4,f=-4.8!) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -2.45! F(o=-4.2,f=-3.4!) USER MOD Single : A 1 PHE N :NH3+ 141:sc= 1.39 (180deg=0.191) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -13:sc= 0.268 USER MOD Single : A 16 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.024) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.3!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.249 (180deg=-1.55!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.134) USER MOD Single : A 39 SER OG : rot 80:sc= -0.0514 USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= 1.22 (180deg=0.626) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-4!) USER MOD Single : A 53 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.4!) USER MOD Single : B 1 PHE N :NH3+ 134:sc= 1.4 (180deg=0.176) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -14:sc= 0.273 USER MOD Single : B 16 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.03) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.4!) USER MOD Single : B 22 MET CE :methyl 157:sc= -0.225 (180deg=-1.5!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -167:sc=-0.00105 (180deg=-0.117) USER MOD Single : B 39 SER OG : rot 78:sc= 0.00565 USER MOD Single : B 42 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.629) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-3.8!) USER MOD Single : B 53 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.363 -4.627 24.377 1.00 0.00 N ATOM 2 CA PHE A 1 95.074 -3.826 25.411 1.00 0.00 C ATOM 3 C PHE A 1 95.107 -2.366 24.975 1.00 0.00 C ATOM 4 O PHE A 1 96.154 -1.770 24.815 1.00 0.00 O ATOM 5 CB PHE A 1 96.502 -4.335 25.545 1.00 0.00 C ATOM 6 CG PHE A 1 96.499 -5.841 25.655 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.284 -6.456 26.892 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.715 -6.622 24.513 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.288 -7.855 26.986 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.718 -8.019 24.609 1.00 0.00 C ATOM 11 CZ PHE A 1 96.505 -8.635 25.846 1.00 0.00 C ATOM 0 H1 PHE A 1 94.841 -5.543 24.259 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.380 -4.785 24.676 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.372 -4.113 23.473 1.00 0.00 H new ATOM 0 HA PHE A 1 94.558 -3.917 26.367 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.091 -4.025 24.682 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.973 -3.898 26.425 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.115 -5.855 27.773 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.879 -6.147 23.557 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.123 -8.331 27.941 1.00 0.00 H new ATOM 0 HE2 PHE A 1 96.885 -8.621 23.728 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.508 -9.712 25.921 1.00 0.00 H new ATOM 23 N LEU A 2 93.961 -1.791 24.776 1.00 0.00 N ATOM 24 CA LEU A 2 93.889 -0.366 24.338 1.00 0.00 C ATOM 25 C LEU A 2 93.726 0.548 25.542 1.00 0.00 C ATOM 26 O LEU A 2 93.077 0.212 26.504 1.00 0.00 O ATOM 27 CB LEU A 2 92.691 -0.170 23.403 1.00 0.00 C ATOM 28 CG LEU A 2 92.852 -1.031 22.143 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.574 -0.935 21.303 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.054 -0.540 21.313 1.00 0.00 C ATOM 0 H LEU A 2 93.057 -2.248 24.898 1.00 0.00 H new ATOM 0 HA LEU A 2 94.813 -0.118 23.816 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.770 -0.439 23.920 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.606 0.881 23.125 1.00 0.00 H new ATOM 0 HG LEU A 2 93.027 -2.067 22.435 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.682 -1.545 20.406 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.727 -1.295 21.887 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.403 0.103 21.018 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.158 -1.159 20.422 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.893 0.497 21.018 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.962 -0.610 21.911 1.00 0.00 H new ATOM 42 N ASP A 3 94.298 1.715 25.483 1.00 0.00 N ATOM 43 CA ASP A 3 94.154 2.663 26.618 1.00 0.00 C ATOM 44 C ASP A 3 92.668 2.958 26.800 1.00 0.00 C ATOM 45 O ASP A 3 92.167 3.037 27.904 1.00 0.00 O ATOM 46 CB ASP A 3 94.900 3.962 26.307 1.00 0.00 C ATOM 47 CG ASP A 3 96.408 3.707 26.332 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.809 2.706 26.902 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.134 4.515 25.778 1.00 0.00 O ATOM 0 H ASP A 3 94.858 2.053 24.700 1.00 0.00 H new ATOM 0 HA ASP A 3 94.571 2.230 27.527 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.601 4.340 25.329 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.638 4.727 27.038 1.00 0.00 H new ATOM 54 N GLY A 4 91.954 3.105 25.714 1.00 0.00 N ATOM 55 CA GLY A 4 90.491 3.379 25.806 1.00 0.00 C ATOM 56 C GLY A 4 89.864 2.418 26.816 1.00 0.00 C ATOM 57 O GLY A 4 88.783 2.646 27.319 1.00 0.00 O ATOM 0 H GLY A 4 92.323 3.047 24.765 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.320 4.411 26.113 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.023 3.256 24.829 1.00 0.00 H new ATOM 61 N ILE A 5 90.550 1.351 27.128 1.00 0.00 N ATOM 62 CA ILE A 5 90.009 0.385 28.120 1.00 0.00 C ATOM 63 C ILE A 5 89.806 1.108 29.450 1.00 0.00 C ATOM 64 O ILE A 5 88.812 0.924 30.124 1.00 0.00 O ATOM 65 CB ILE A 5 90.993 -0.779 28.279 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.967 -1.621 27.004 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.602 -1.639 29.488 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.114 -2.636 27.026 1.00 0.00 C ATOM 0 H ILE A 5 91.461 1.109 26.738 1.00 0.00 H new ATOM 0 HA ILE A 5 89.052 -0.014 27.783 1.00 0.00 H new ATOM 0 HB ILE A 5 91.998 -0.392 28.444 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.012 -2.140 26.920 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.057 -0.976 26.130 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.308 -2.463 29.592 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.622 -1.028 30.391 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.598 -2.037 29.342 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.089 -3.233 26.114 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.066 -2.108 27.089 1.00 0.00 H new ATOM 0 HD13 ILE A 5 92.004 -3.290 27.891 1.00 0.00 H new ATOM 80 N ASP A 6 90.729 1.950 29.817 1.00 0.00 N ATOM 81 CA ASP A 6 90.578 2.712 31.085 1.00 0.00 C ATOM 82 C ASP A 6 89.320 3.574 30.985 1.00 0.00 C ATOM 83 O ASP A 6 88.568 3.714 31.927 1.00 0.00 O ATOM 84 CB ASP A 6 91.802 3.603 31.301 1.00 0.00 C ATOM 85 CG ASP A 6 93.004 2.738 31.679 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.792 1.599 32.062 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.117 3.229 31.580 1.00 0.00 O ATOM 0 H ASP A 6 91.582 2.144 29.293 1.00 0.00 H new ATOM 0 HA ASP A 6 90.493 2.025 31.927 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.018 4.168 30.394 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.602 4.329 32.089 1.00 0.00 H new ATOM 92 N LYS A 7 89.092 4.152 29.839 1.00 0.00 N ATOM 93 CA LYS A 7 87.886 5.005 29.655 1.00 0.00 C ATOM 94 C LYS A 7 86.639 4.127 29.746 1.00 0.00 C ATOM 95 O LYS A 7 85.623 4.523 30.283 1.00 0.00 O ATOM 96 CB LYS A 7 87.928 5.668 28.277 1.00 0.00 C ATOM 97 CG LYS A 7 89.141 6.593 28.186 1.00 0.00 C ATOM 98 CD LYS A 7 89.175 7.252 26.806 1.00 0.00 C ATOM 99 CE LYS A 7 90.348 8.233 26.729 1.00 0.00 C ATOM 100 NZ LYS A 7 90.142 9.154 25.577 1.00 0.00 N ATOM 0 H LYS A 7 89.692 4.070 29.018 1.00 0.00 H new ATOM 0 HA LYS A 7 87.863 5.774 30.427 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.980 4.907 27.498 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.013 6.235 28.108 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.090 7.355 28.964 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.057 6.027 28.354 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.274 6.491 26.032 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.238 7.776 26.620 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.423 8.802 27.656 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.285 7.689 26.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.937 9.823 25.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.090 8.603 24.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.255 9.681 25.708 1.00 0.00 H new ATOM 114 N ALA A 8 86.709 2.936 29.219 1.00 0.00 N ATOM 115 CA ALA A 8 85.534 2.025 29.263 1.00 0.00 C ATOM 116 C ALA A 8 85.138 1.772 30.720 1.00 0.00 C ATOM 117 O ALA A 8 83.976 1.616 31.037 1.00 0.00 O ATOM 118 CB ALA A 8 85.896 0.700 28.591 1.00 0.00 C ATOM 0 H ALA A 8 87.535 2.554 28.758 1.00 0.00 H new ATOM 0 HA ALA A 8 84.696 2.482 28.737 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.037 0.030 28.622 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.177 0.883 27.554 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.733 0.241 29.118 1.00 0.00 H new ATOM 124 N GLN A 9 86.093 1.731 31.609 1.00 0.00 N ATOM 125 CA GLN A 9 85.760 1.491 33.042 1.00 0.00 C ATOM 126 C GLN A 9 84.831 2.607 33.530 1.00 0.00 C ATOM 127 O GLN A 9 83.872 2.372 34.237 1.00 0.00 O ATOM 128 CB GLN A 9 87.047 1.519 33.870 1.00 0.00 C ATOM 129 CG GLN A 9 87.896 0.287 33.557 1.00 0.00 C ATOM 130 CD GLN A 9 89.179 0.327 34.388 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.155 0.698 35.544 1.00 0.00 O ATOM 132 NE2 GLN A 9 90.306 -0.034 33.842 1.00 0.00 N ATOM 0 H GLN A 9 87.085 1.853 31.406 1.00 0.00 H new ATOM 0 HA GLN A 9 85.272 0.523 33.151 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.611 2.425 33.650 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.805 1.544 34.933 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.335 -0.621 33.779 1.00 0.00 H new ATOM 0 HG3 GLN A 9 88.139 0.260 32.495 1.00 0.00 H new ATOM 0 HE21 GLN A 9 90.326 -0.346 32.871 1.00 0.00 H new ATOM 0 HE22 GLN A 9 91.168 -0.005 34.386 1.00 0.00 H new ATOM 141 N GLU A 10 85.117 3.822 33.148 1.00 0.00 N ATOM 142 CA GLU A 10 84.269 4.973 33.572 1.00 0.00 C ATOM 143 C GLU A 10 82.852 4.808 33.020 1.00 0.00 C ATOM 144 O GLU A 10 81.876 5.113 33.676 1.00 0.00 O ATOM 145 CB GLU A 10 84.866 6.271 33.027 1.00 0.00 C ATOM 146 CG GLU A 10 86.172 6.585 33.758 1.00 0.00 C ATOM 147 CD GLU A 10 86.830 7.806 33.115 1.00 0.00 C ATOM 148 OE1 GLU A 10 87.450 7.642 32.077 1.00 0.00 O ATOM 149 OE2 GLU A 10 86.696 8.886 33.666 1.00 0.00 O ATOM 0 H GLU A 10 85.909 4.069 32.555 1.00 0.00 H new ATOM 0 HA GLU A 10 84.233 5.007 34.661 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.051 6.176 31.957 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.159 7.090 33.157 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.975 6.777 34.813 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.844 5.728 33.710 1.00 0.00 H new ATOM 156 N GLU A 11 82.736 4.350 31.802 1.00 0.00 N ATOM 157 CA GLU A 11 81.389 4.186 31.176 1.00 0.00 C ATOM 158 C GLU A 11 80.884 2.757 31.387 1.00 0.00 C ATOM 159 O GLU A 11 79.876 2.358 30.837 1.00 0.00 O ATOM 160 CB GLU A 11 81.499 4.472 29.676 1.00 0.00 C ATOM 161 CG GLU A 11 81.948 5.921 29.468 1.00 0.00 C ATOM 162 CD GLU A 11 82.060 6.215 27.970 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.943 5.282 27.194 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.270 7.367 27.627 1.00 0.00 O ATOM 0 H GLU A 11 83.521 4.080 31.209 1.00 0.00 H new ATOM 0 HA GLU A 11 80.687 4.881 31.637 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.212 3.789 29.215 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.538 4.304 29.191 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.234 6.603 29.930 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.909 6.088 29.954 1.00 0.00 H new ATOM 171 N CYS A 12 81.569 1.983 32.184 1.00 0.00 N ATOM 172 CA CYS A 12 81.115 0.584 32.429 1.00 0.00 C ATOM 173 C CYS A 12 79.632 0.596 32.814 1.00 0.00 C ATOM 174 O CYS A 12 78.838 -0.170 32.305 1.00 0.00 O ATOM 175 CB CYS A 12 81.930 -0.024 33.573 1.00 0.00 C ATOM 176 SG CYS A 12 81.396 -1.730 33.858 1.00 0.00 S ATOM 0 H CYS A 12 82.420 2.257 32.675 1.00 0.00 H new ATOM 0 HA CYS A 12 81.257 -0.010 31.526 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.992 -0.001 33.329 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.798 0.566 34.480 1.00 0.00 H new ATOM 181 N GLU A 13 79.261 1.464 33.714 1.00 0.00 N ATOM 182 CA GLU A 13 77.838 1.548 34.152 1.00 0.00 C ATOM 183 C GLU A 13 76.947 1.900 32.955 1.00 0.00 C ATOM 184 O GLU A 13 75.834 1.431 32.836 1.00 0.00 O ATOM 185 CB GLU A 13 77.709 2.634 35.223 1.00 0.00 C ATOM 186 CG GLU A 13 78.395 2.164 36.508 1.00 0.00 C ATOM 187 CD GLU A 13 78.268 3.245 37.583 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.839 4.337 37.249 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.609 2.965 38.720 1.00 0.00 O ATOM 0 H GLU A 13 79.889 2.126 34.170 1.00 0.00 H new ATOM 0 HA GLU A 13 77.524 0.587 34.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.163 3.561 34.873 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.658 2.847 35.416 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.941 1.236 36.856 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.446 1.952 36.314 1.00 0.00 H new ATOM 196 N LYS A 14 77.424 2.742 32.076 1.00 0.00 N ATOM 197 CA LYS A 14 76.604 3.149 30.896 1.00 0.00 C ATOM 198 C LYS A 14 76.256 1.923 30.042 1.00 0.00 C ATOM 199 O LYS A 14 75.177 1.838 29.488 1.00 0.00 O ATOM 200 CB LYS A 14 77.385 4.166 30.052 1.00 0.00 C ATOM 201 CG LYS A 14 76.563 4.604 28.826 1.00 0.00 C ATOM 202 CD LYS A 14 75.245 5.257 29.270 1.00 0.00 C ATOM 203 CE LYS A 14 74.682 6.115 28.133 1.00 0.00 C ATOM 204 NZ LYS A 14 73.253 6.435 28.414 1.00 0.00 N ATOM 0 H LYS A 14 78.350 3.167 32.125 1.00 0.00 H new ATOM 0 HA LYS A 14 75.679 3.605 31.248 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.632 5.036 30.660 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.328 3.727 29.726 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.140 5.307 28.226 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.354 3.741 28.193 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.524 4.489 29.549 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.413 5.873 30.154 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.260 7.034 28.036 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.767 5.584 27.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 72.870 7.018 27.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.707 5.553 28.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.184 6.958 29.310 1.00 0.00 H new ATOM 218 N TYR A 15 77.152 0.981 29.911 1.00 0.00 N ATOM 219 CA TYR A 15 76.849 -0.217 29.069 1.00 0.00 C ATOM 220 C TYR A 15 76.055 -1.235 29.888 1.00 0.00 C ATOM 221 O TYR A 15 75.463 -2.146 29.346 1.00 0.00 O ATOM 222 CB TYR A 15 78.152 -0.869 28.603 1.00 0.00 C ATOM 223 CG TYR A 15 78.867 0.046 27.637 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.428 0.143 26.310 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.971 0.793 28.064 1.00 0.00 C ATOM 226 CE1 TYR A 15 79.093 0.988 25.412 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.636 1.636 27.167 1.00 0.00 C ATOM 228 CZ TYR A 15 80.197 1.734 25.842 1.00 0.00 C ATOM 229 OH TYR A 15 80.854 2.565 24.958 1.00 0.00 O ATOM 0 H TYR A 15 78.074 0.987 30.346 1.00 0.00 H new ATOM 0 HA TYR A 15 76.266 0.100 28.204 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.791 -1.078 29.461 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.940 -1.824 28.123 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.577 -0.434 25.979 1.00 0.00 H new ATOM 0 HD2 TYR A 15 80.310 0.719 29.087 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.754 1.064 24.389 1.00 0.00 H new ATOM 0 HE2 TYR A 15 81.488 2.211 27.497 1.00 0.00 H new ATOM 0 HH TYR A 15 80.560 2.369 24.044 1.00 0.00 H new ATOM 239 N HIS A 16 76.038 -1.089 31.186 1.00 0.00 N ATOM 240 CA HIS A 16 75.276 -2.046 32.042 1.00 0.00 C ATOM 241 C HIS A 16 75.781 -3.469 31.802 1.00 0.00 C ATOM 242 O HIS A 16 76.968 -3.715 31.720 1.00 0.00 O ATOM 243 CB HIS A 16 73.779 -1.970 31.714 1.00 0.00 C ATOM 244 CG HIS A 16 73.306 -0.552 31.860 1.00 0.00 C ATOM 245 ND1 HIS A 16 72.992 -0.005 33.096 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.086 0.443 30.940 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.602 1.267 32.889 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.642 1.588 31.593 1.00 0.00 N ATOM 0 H HIS A 16 76.520 -0.346 31.692 1.00 0.00 H new ATOM 0 HA HIS A 16 75.426 -1.780 33.088 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.600 -2.322 30.698 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.216 -2.623 32.381 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.235 0.351 29.874 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.295 1.943 33.673 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.398 2.484 31.171 1.00 0.00 H new ATOM 257 N SER A 17 74.882 -4.409 31.695 1.00 0.00 N ATOM 258 CA SER A 17 75.291 -5.823 31.467 1.00 0.00 C ATOM 259 C SER A 17 75.549 -6.059 29.977 1.00 0.00 C ATOM 260 O SER A 17 75.992 -7.118 29.579 1.00 0.00 O ATOM 261 CB SER A 17 74.171 -6.749 31.940 1.00 0.00 C ATOM 262 OG SER A 17 73.942 -6.539 33.328 1.00 0.00 O ATOM 0 H SER A 17 73.875 -4.256 31.756 1.00 0.00 H new ATOM 0 HA SER A 17 76.205 -6.029 32.024 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.259 -6.553 31.376 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.442 -7.789 31.758 1.00 0.00 H new ATOM 0 HG SER A 17 73.223 -7.130 33.634 1.00 0.00 H new ATOM 268 N ASN A 18 75.272 -5.090 29.147 1.00 0.00 N ATOM 269 CA ASN A 18 75.501 -5.280 27.685 1.00 0.00 C ATOM 270 C ASN A 18 76.980 -5.052 27.361 1.00 0.00 C ATOM 271 O ASN A 18 77.349 -4.057 26.770 1.00 0.00 O ATOM 272 CB ASN A 18 74.647 -4.275 26.899 1.00 0.00 C ATOM 273 CG ASN A 18 73.198 -4.763 26.836 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.906 -5.886 27.194 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.275 -3.960 26.381 1.00 0.00 N ATOM 0 H ASN A 18 74.899 -4.179 29.416 1.00 0.00 H new ATOM 0 HA ASN A 18 75.221 -6.296 27.405 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.690 -3.296 27.376 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.044 -4.156 25.891 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.307 -4.275 26.326 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.522 -3.017 26.081 1.00 0.00 H new ATOM 282 N TRP A 19 77.828 -5.971 27.736 1.00 0.00 N ATOM 283 CA TRP A 19 79.278 -5.806 27.439 1.00 0.00 C ATOM 284 C TRP A 19 79.510 -5.959 25.933 1.00 0.00 C ATOM 285 O TRP A 19 80.478 -5.463 25.390 1.00 0.00 O ATOM 286 CB TRP A 19 80.087 -6.865 28.194 1.00 0.00 C ATOM 287 CG TRP A 19 79.666 -8.235 27.766 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.743 -8.999 28.397 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.134 -9.015 26.628 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.624 -10.202 27.723 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.459 -10.258 26.625 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.071 -8.766 25.609 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.706 -11.221 25.646 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.320 -9.732 24.621 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.640 -10.958 24.640 1.00 0.00 C ATOM 0 H TRP A 19 77.580 -6.826 28.234 1.00 0.00 H new ATOM 0 HA TRP A 19 79.601 -4.815 27.759 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.151 -6.726 28.002 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.939 -6.750 29.268 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.191 -8.716 29.281 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.996 -10.955 28.003 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.602 -7.826 25.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.179 -12.163 25.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.040 -9.529 23.842 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.838 -11.698 23.879 1.00 0.00 H new ATOM 306 N ARG A 20 78.629 -6.644 25.253 1.00 0.00 N ATOM 307 CA ARG A 20 78.793 -6.833 23.782 1.00 0.00 C ATOM 308 C ARG A 20 78.809 -5.478 23.069 1.00 0.00 C ATOM 309 O ARG A 20 79.569 -5.262 22.147 1.00 0.00 O ATOM 310 CB ARG A 20 77.630 -7.668 23.245 1.00 0.00 C ATOM 311 CG ARG A 20 77.767 -9.115 23.720 1.00 0.00 C ATOM 312 CD ARG A 20 76.599 -9.943 23.178 1.00 0.00 C ATOM 313 NE ARG A 20 76.734 -11.356 23.631 1.00 0.00 N ATOM 314 CZ ARG A 20 75.713 -12.164 23.562 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.565 -11.730 23.116 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.838 -13.407 23.942 1.00 0.00 N ATOM 0 H ARG A 20 77.800 -7.082 25.655 1.00 0.00 H new ATOM 0 HA ARG A 20 79.738 -7.344 23.596 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.683 -7.251 23.588 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.618 -7.633 22.156 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.713 -9.533 23.377 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.778 -9.152 24.809 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.653 -9.528 23.527 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.584 -9.900 22.089 1.00 0.00 H new ATOM 0 HE ARG A 20 77.626 -11.691 23.995 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.467 -10.758 22.821 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.767 -12.363 23.062 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.734 -13.745 24.293 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.040 -14.039 23.888 1.00 0.00 H new ATOM 330 N ALA A 21 77.974 -4.566 23.481 1.00 0.00 N ATOM 331 CA ALA A 21 77.946 -3.233 22.813 1.00 0.00 C ATOM 332 C ALA A 21 79.266 -2.505 23.082 1.00 0.00 C ATOM 333 O ALA A 21 79.818 -1.860 22.212 1.00 0.00 O ATOM 334 CB ALA A 21 76.781 -2.409 23.371 1.00 0.00 C ATOM 0 H ALA A 21 77.312 -4.684 24.248 1.00 0.00 H new ATOM 0 HA ALA A 21 77.815 -3.363 21.739 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.759 -1.434 22.884 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.843 -2.931 23.182 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.911 -2.275 24.445 1.00 0.00 H new ATOM 340 N MET A 22 79.773 -2.607 24.278 1.00 0.00 N ATOM 341 CA MET A 22 81.057 -1.926 24.609 1.00 0.00 C ATOM 342 C MET A 22 82.188 -2.499 23.750 1.00 0.00 C ATOM 343 O MET A 22 83.024 -1.777 23.245 1.00 0.00 O ATOM 344 CB MET A 22 81.371 -2.150 26.088 1.00 0.00 C ATOM 345 CG MET A 22 82.609 -1.343 26.480 1.00 0.00 C ATOM 346 SD MET A 22 82.816 -1.395 28.277 1.00 0.00 S ATOM 347 CE MET A 22 82.984 -3.188 28.439 1.00 0.00 C ATOM 0 H MET A 22 79.353 -3.134 25.044 1.00 0.00 H new ATOM 0 HA MET A 22 80.967 -0.859 24.407 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.520 -1.849 26.700 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.541 -3.210 26.277 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.493 -1.751 25.989 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.505 -0.311 26.144 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.513 -3.422 29.363 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.995 -3.646 28.461 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.545 -3.579 27.590 1.00 0.00 H new ATOM 357 N ALA A 23 82.225 -3.792 23.579 1.00 0.00 N ATOM 358 CA ALA A 23 83.304 -4.406 22.754 1.00 0.00 C ATOM 359 C ALA A 23 83.249 -3.837 21.333 1.00 0.00 C ATOM 360 O ALA A 23 84.263 -3.573 20.717 1.00 0.00 O ATOM 361 CB ALA A 23 83.106 -5.923 22.702 1.00 0.00 C ATOM 0 H ALA A 23 81.554 -4.450 23.975 1.00 0.00 H new ATOM 0 HA ALA A 23 84.273 -4.180 23.199 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.895 -6.372 22.099 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.145 -6.330 23.712 1.00 0.00 H new ATOM 0 HB3 ALA A 23 82.137 -6.148 22.258 1.00 0.00 H new ATOM 367 N SER A 24 82.068 -3.657 20.806 1.00 0.00 N ATOM 368 CA SER A 24 81.933 -3.119 19.422 1.00 0.00 C ATOM 369 C SER A 24 82.416 -1.667 19.368 1.00 0.00 C ATOM 370 O SER A 24 83.025 -1.242 18.405 1.00 0.00 O ATOM 371 CB SER A 24 80.466 -3.176 18.995 1.00 0.00 C ATOM 372 OG SER A 24 80.362 -2.800 17.628 1.00 0.00 O ATOM 0 H SER A 24 81.187 -3.861 21.277 1.00 0.00 H new ATOM 0 HA SER A 24 82.541 -3.723 18.748 1.00 0.00 H new ATOM 0 HB2 SER A 24 80.072 -4.182 19.139 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.868 -2.508 19.615 1.00 0.00 H new ATOM 0 HG SER A 24 79.423 -2.837 17.349 1.00 0.00 H new ATOM 378 N ASP A 25 82.138 -0.899 20.382 1.00 0.00 N ATOM 379 CA ASP A 25 82.568 0.530 20.372 1.00 0.00 C ATOM 380 C ASP A 25 84.091 0.617 20.482 1.00 0.00 C ATOM 381 O ASP A 25 84.722 1.420 19.824 1.00 0.00 O ATOM 382 CB ASP A 25 81.926 1.256 21.553 1.00 0.00 C ATOM 383 CG ASP A 25 80.422 1.395 21.310 1.00 0.00 C ATOM 384 OD1 ASP A 25 80.015 1.294 20.163 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.701 1.601 22.272 1.00 0.00 O ATOM 0 H ASP A 25 81.633 -1.196 21.217 1.00 0.00 H new ATOM 0 HA ASP A 25 82.253 0.996 19.439 1.00 0.00 H new ATOM 0 HB2 ASP A 25 82.107 0.703 22.475 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.378 2.240 21.678 1.00 0.00 H new ATOM 390 N PHE A 26 84.688 -0.208 21.297 1.00 0.00 N ATOM 391 CA PHE A 26 86.177 -0.186 21.441 1.00 0.00 C ATOM 392 C PHE A 26 86.783 -1.270 20.543 1.00 0.00 C ATOM 393 O PHE A 26 87.986 -1.430 20.468 1.00 0.00 O ATOM 394 CB PHE A 26 86.554 -0.450 22.903 1.00 0.00 C ATOM 395 CG PHE A 26 86.182 0.751 23.749 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.871 0.895 24.223 1.00 0.00 C ATOM 397 CD2 PHE A 26 87.149 1.719 24.066 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.527 2.004 25.008 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.802 2.825 24.850 1.00 0.00 C ATOM 400 CZ PHE A 26 85.492 2.967 25.321 1.00 0.00 C ATOM 0 H PHE A 26 84.209 -0.900 21.873 1.00 0.00 H new ATOM 0 HA PHE A 26 86.563 0.789 21.145 1.00 0.00 H new ATOM 0 HB2 PHE A 26 86.038 -1.338 23.267 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.623 -0.647 22.984 1.00 0.00 H new ATOM 0 HD1 PHE A 26 84.126 0.151 23.983 1.00 0.00 H new ATOM 0 HD2 PHE A 26 88.161 1.610 23.705 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.516 2.115 25.371 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.546 3.570 25.092 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.226 3.821 25.927 1.00 0.00 H new ATOM 410 N ASN A 27 85.955 -2.008 19.848 1.00 0.00 N ATOM 411 CA ASN A 27 86.472 -3.077 18.943 1.00 0.00 C ATOM 412 C ASN A 27 87.433 -3.990 19.708 1.00 0.00 C ATOM 413 O ASN A 27 88.527 -4.266 19.255 1.00 0.00 O ATOM 414 CB ASN A 27 87.210 -2.436 17.765 1.00 0.00 C ATOM 415 CG ASN A 27 86.233 -1.577 16.960 1.00 0.00 C ATOM 416 OD1 ASN A 27 86.537 -0.452 16.614 1.00 0.00 O ATOM 417 ND2 ASN A 27 85.064 -2.063 16.644 1.00 0.00 N ATOM 0 H ASN A 27 84.939 -1.915 19.869 1.00 0.00 H new ATOM 0 HA ASN A 27 85.634 -3.668 18.574 1.00 0.00 H new ATOM 0 HB2 ASN A 27 88.035 -1.824 18.128 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.642 -3.208 17.129 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.405 -1.499 16.107 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.809 -3.007 16.934 1.00 0.00 H new ATOM 424 N LEU A 28 87.032 -4.457 20.865 1.00 0.00 N ATOM 425 CA LEU A 28 87.913 -5.354 21.683 1.00 0.00 C ATOM 426 C LEU A 28 87.248 -6.735 21.847 1.00 0.00 C ATOM 427 O LEU A 28 86.128 -6.818 22.311 1.00 0.00 O ATOM 428 CB LEU A 28 88.081 -4.737 23.069 1.00 0.00 C ATOM 429 CG LEU A 28 89.003 -3.516 22.990 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.884 -2.724 24.294 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.470 -3.955 22.773 1.00 0.00 C ATOM 0 H LEU A 28 86.124 -4.254 21.283 1.00 0.00 H new ATOM 0 HA LEU A 28 88.876 -5.467 21.186 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.109 -4.444 23.466 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.497 -5.474 23.756 1.00 0.00 H new ATOM 0 HG LEU A 28 88.706 -2.893 22.146 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.536 -1.852 24.251 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.852 -2.400 24.430 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.179 -3.356 25.132 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.109 -3.074 22.720 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.788 -4.584 23.604 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.548 -4.517 21.842 1.00 0.00 H new ATOM 443 N PRO A 29 87.914 -7.824 21.500 1.00 0.00 N ATOM 444 CA PRO A 29 87.322 -9.185 21.661 1.00 0.00 C ATOM 445 C PRO A 29 86.682 -9.366 23.055 1.00 0.00 C ATOM 446 O PRO A 29 87.132 -8.780 24.020 1.00 0.00 O ATOM 447 CB PRO A 29 88.526 -10.123 21.497 1.00 0.00 C ATOM 448 CG PRO A 29 89.466 -9.383 20.602 1.00 0.00 C ATOM 449 CD PRO A 29 89.273 -7.894 20.915 1.00 0.00 C ATOM 0 HA PRO A 29 86.523 -9.376 20.944 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.988 -10.346 22.459 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.229 -11.075 21.058 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.497 -9.688 20.783 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.251 -9.591 19.554 1.00 0.00 H new ATOM 0 HD2 PRO A 29 90.027 -7.532 21.614 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.352 -7.283 20.016 1.00 0.00 H new ATOM 457 N PRO A 30 85.645 -10.166 23.170 1.00 0.00 N ATOM 458 CA PRO A 30 84.960 -10.407 24.476 1.00 0.00 C ATOM 459 C PRO A 30 85.934 -10.569 25.656 1.00 0.00 C ATOM 460 O PRO A 30 85.556 -10.431 26.802 1.00 0.00 O ATOM 461 CB PRO A 30 84.196 -11.718 24.241 1.00 0.00 C ATOM 462 CG PRO A 30 83.904 -11.753 22.770 1.00 0.00 C ATOM 463 CD PRO A 30 85.004 -10.930 22.077 1.00 0.00 C ATOM 0 HA PRO A 30 84.330 -9.561 24.752 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.792 -12.579 24.544 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.276 -11.746 24.825 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.899 -12.779 22.401 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.919 -11.335 22.562 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.722 -11.575 21.571 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.585 -10.265 21.322 1.00 0.00 H new ATOM 471 N VAL A 31 87.170 -10.895 25.396 1.00 0.00 N ATOM 472 CA VAL A 31 88.134 -11.105 26.518 1.00 0.00 C ATOM 473 C VAL A 31 88.283 -9.834 27.367 1.00 0.00 C ATOM 474 O VAL A 31 88.163 -9.871 28.576 1.00 0.00 O ATOM 475 CB VAL A 31 89.502 -11.486 25.940 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.571 -11.466 27.044 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.423 -12.888 25.330 1.00 0.00 C ATOM 0 H VAL A 31 87.555 -11.025 24.460 1.00 0.00 H new ATOM 0 HA VAL A 31 87.753 -11.903 27.155 1.00 0.00 H new ATOM 0 HB VAL A 31 89.776 -10.764 25.171 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.537 -11.738 26.620 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.632 -10.466 27.473 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.303 -12.179 27.823 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.395 -13.161 24.918 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.141 -13.605 26.101 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.677 -12.898 24.536 1.00 0.00 H new ATOM 487 N VAL A 32 88.569 -8.722 26.755 1.00 0.00 N ATOM 488 CA VAL A 32 88.755 -7.469 27.545 1.00 0.00 C ATOM 489 C VAL A 32 87.414 -6.961 28.075 1.00 0.00 C ATOM 490 O VAL A 32 87.323 -6.483 29.188 1.00 0.00 O ATOM 491 CB VAL A 32 89.389 -6.393 26.672 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.786 -5.206 27.548 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.631 -6.956 25.980 1.00 0.00 C ATOM 0 H VAL A 32 88.682 -8.623 25.746 1.00 0.00 H new ATOM 0 HA VAL A 32 89.409 -7.691 28.388 1.00 0.00 H new ATOM 0 HB VAL A 32 88.674 -6.069 25.916 1.00 0.00 H new ATOM 0 HG11 VAL A 32 90.240 -4.433 26.929 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.900 -4.804 28.039 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.501 -5.534 28.302 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.082 -6.184 25.357 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.350 -7.281 26.732 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.348 -7.805 25.358 1.00 0.00 H new ATOM 503 N ALA A 33 86.375 -7.037 27.290 1.00 0.00 N ATOM 504 CA ALA A 33 85.060 -6.529 27.768 1.00 0.00 C ATOM 505 C ALA A 33 84.664 -7.291 29.030 1.00 0.00 C ATOM 506 O ALA A 33 84.294 -6.709 30.030 1.00 0.00 O ATOM 507 CB ALA A 33 84.007 -6.742 26.679 1.00 0.00 C ATOM 0 H ALA A 33 86.379 -7.425 26.347 1.00 0.00 H new ATOM 0 HA ALA A 33 85.130 -5.465 27.992 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.043 -6.371 27.027 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.300 -6.202 25.779 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.926 -7.805 26.454 1.00 0.00 H new ATOM 513 N LYS A 34 84.762 -8.584 29.000 1.00 0.00 N ATOM 514 CA LYS A 34 84.420 -9.384 30.205 1.00 0.00 C ATOM 515 C LYS A 34 85.324 -8.978 31.369 1.00 0.00 C ATOM 516 O LYS A 34 84.894 -8.892 32.503 1.00 0.00 O ATOM 517 CB LYS A 34 84.614 -10.867 29.891 1.00 0.00 C ATOM 518 CG LYS A 34 83.521 -11.327 28.926 1.00 0.00 C ATOM 519 CD LYS A 34 83.706 -12.811 28.607 1.00 0.00 C ATOM 520 CE LYS A 34 82.580 -13.275 27.678 1.00 0.00 C ATOM 521 NZ LYS A 34 81.322 -13.414 28.464 1.00 0.00 N ATOM 0 H LYS A 34 85.065 -9.126 28.191 1.00 0.00 H new ATOM 0 HA LYS A 34 83.382 -9.202 30.484 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.597 -11.031 29.450 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.575 -11.453 30.809 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.539 -11.160 29.368 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.562 -10.740 28.008 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.674 -12.975 28.133 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.698 -13.396 29.527 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.440 -12.557 26.870 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.842 -14.227 27.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.617 -13.932 27.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.517 -13.937 29.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.953 -12.470 28.698 1.00 0.00 H new ATOM 535 N GLU A 35 86.581 -8.744 31.103 1.00 0.00 N ATOM 536 CA GLU A 35 87.515 -8.364 32.202 1.00 0.00 C ATOM 537 C GLU A 35 87.093 -7.031 32.821 1.00 0.00 C ATOM 538 O GLU A 35 87.138 -6.857 34.023 1.00 0.00 O ATOM 539 CB GLU A 35 88.932 -8.228 31.647 1.00 0.00 C ATOM 540 CG GLU A 35 89.929 -8.086 32.804 1.00 0.00 C ATOM 541 CD GLU A 35 89.891 -6.662 33.367 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.482 -5.767 32.646 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.273 -6.491 34.513 1.00 0.00 O ATOM 0 H GLU A 35 87.001 -8.799 30.175 1.00 0.00 H new ATOM 0 HA GLU A 35 87.487 -9.140 32.967 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.182 -9.101 31.044 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.994 -7.359 30.992 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.688 -8.802 33.590 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.935 -8.320 32.457 1.00 0.00 H new ATOM 550 N ILE A 36 86.679 -6.086 32.022 1.00 0.00 N ATOM 551 CA ILE A 36 86.257 -4.782 32.600 1.00 0.00 C ATOM 552 C ILE A 36 85.089 -5.048 33.550 1.00 0.00 C ATOM 553 O ILE A 36 85.022 -4.516 34.640 1.00 0.00 O ATOM 554 CB ILE A 36 85.830 -3.832 31.476 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.039 -3.514 30.590 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.298 -2.534 32.081 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.574 -2.774 29.332 1.00 0.00 C ATOM 0 H ILE A 36 86.615 -6.159 31.007 1.00 0.00 H new ATOM 0 HA ILE A 36 87.079 -4.315 33.142 1.00 0.00 H new ATOM 0 HB ILE A 36 85.051 -4.306 30.879 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.755 -2.903 31.140 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.552 -4.435 30.314 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.994 -1.858 31.282 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.440 -2.754 32.716 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.080 -2.063 32.677 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.435 -2.549 28.703 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.875 -3.401 28.779 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.081 -1.845 29.618 1.00 0.00 H new ATOM 569 N VAL A 37 84.190 -5.905 33.150 1.00 0.00 N ATOM 570 CA VAL A 37 83.040 -6.262 34.028 1.00 0.00 C ATOM 571 C VAL A 37 83.596 -7.025 35.233 1.00 0.00 C ATOM 572 O VAL A 37 83.171 -6.842 36.356 1.00 0.00 O ATOM 573 CB VAL A 37 82.082 -7.159 33.232 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.864 -7.539 34.081 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.611 -6.407 31.983 1.00 0.00 C ATOM 0 H VAL A 37 84.203 -6.377 32.246 1.00 0.00 H new ATOM 0 HA VAL A 37 82.503 -5.375 34.365 1.00 0.00 H new ATOM 0 HB VAL A 37 82.609 -8.070 32.949 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.198 -8.175 33.498 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.194 -8.077 34.970 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.333 -6.635 34.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.930 -7.039 31.413 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.095 -5.494 32.281 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.472 -6.152 31.365 1.00 0.00 H new ATOM 585 N ALA A 38 84.553 -7.881 34.993 1.00 0.00 N ATOM 586 CA ALA A 38 85.164 -8.673 36.098 1.00 0.00 C ATOM 587 C ALA A 38 85.823 -7.733 37.113 1.00 0.00 C ATOM 588 O ALA A 38 86.098 -8.114 38.232 1.00 0.00 O ATOM 589 CB ALA A 38 86.220 -9.619 35.525 1.00 0.00 C ATOM 0 H ALA A 38 84.941 -8.067 34.068 1.00 0.00 H new ATOM 0 HA ALA A 38 84.385 -9.250 36.596 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.667 -10.198 36.333 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.753 -10.295 34.809 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.994 -9.039 35.023 1.00 0.00 H new ATOM 595 N SER A 39 86.092 -6.511 36.736 1.00 0.00 N ATOM 596 CA SER A 39 86.746 -5.563 37.691 1.00 0.00 C ATOM 597 C SER A 39 85.669 -4.755 38.415 1.00 0.00 C ATOM 598 O SER A 39 85.777 -4.475 39.592 1.00 0.00 O ATOM 599 CB SER A 39 87.659 -4.610 36.917 1.00 0.00 C ATOM 600 OG SER A 39 88.689 -5.358 36.285 1.00 0.00 O ATOM 0 H SER A 39 85.889 -6.128 35.813 1.00 0.00 H new ATOM 0 HA SER A 39 87.336 -6.123 38.417 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.083 -4.061 36.172 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.092 -3.873 37.593 1.00 0.00 H new ATOM 0 HG SER A 39 88.342 -5.764 35.463 1.00 0.00 H new ATOM 606 N CYS A 40 84.622 -4.394 37.728 1.00 0.00 N ATOM 607 CA CYS A 40 83.536 -3.622 38.390 1.00 0.00 C ATOM 608 C CYS A 40 82.970 -4.455 39.541 1.00 0.00 C ATOM 609 O CYS A 40 82.652 -5.614 39.376 1.00 0.00 O ATOM 610 CB CYS A 40 82.429 -3.330 37.378 1.00 0.00 C ATOM 611 SG CYS A 40 81.258 -2.148 38.090 1.00 0.00 S ATOM 0 H CYS A 40 84.472 -4.599 36.740 1.00 0.00 H new ATOM 0 HA CYS A 40 83.930 -2.680 38.773 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.857 -2.926 36.461 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.914 -4.252 37.110 1.00 0.00 H new ATOM 616 N ASP A 41 82.844 -3.879 40.704 1.00 0.00 N ATOM 617 CA ASP A 41 82.301 -4.649 41.859 1.00 0.00 C ATOM 618 C ASP A 41 80.779 -4.755 41.747 1.00 0.00 C ATOM 619 O ASP A 41 80.172 -5.671 42.265 1.00 0.00 O ATOM 620 CB ASP A 41 82.660 -3.930 43.162 1.00 0.00 C ATOM 621 CG ASP A 41 84.162 -4.053 43.422 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.766 -4.958 42.872 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.681 -3.240 44.168 1.00 0.00 O ATOM 0 H ASP A 41 83.093 -2.910 40.905 1.00 0.00 H new ATOM 0 HA ASP A 41 82.733 -5.650 41.856 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.377 -2.879 43.099 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.101 -4.361 43.992 1.00 0.00 H new ATOM 628 N LYS A 42 80.154 -3.821 41.085 1.00 0.00 N ATOM 629 CA LYS A 42 78.669 -3.865 40.958 1.00 0.00 C ATOM 630 C LYS A 42 78.255 -4.971 39.984 1.00 0.00 C ATOM 631 O LYS A 42 77.316 -5.704 40.228 1.00 0.00 O ATOM 632 CB LYS A 42 78.176 -2.519 40.426 1.00 0.00 C ATOM 633 CG LYS A 42 78.459 -1.426 41.457 1.00 0.00 C ATOM 634 CD LYS A 42 77.963 -0.082 40.921 1.00 0.00 C ATOM 635 CE LYS A 42 78.249 1.019 41.943 1.00 0.00 C ATOM 636 NZ LYS A 42 78.127 2.350 41.281 1.00 0.00 N ATOM 0 H LYS A 42 80.606 -3.030 40.627 1.00 0.00 H new ATOM 0 HA LYS A 42 78.231 -4.069 41.935 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.674 -2.284 39.485 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.107 -2.568 40.217 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.962 -1.661 42.398 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.528 -1.375 41.665 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.457 0.148 39.977 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.893 -0.133 40.717 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.549 0.949 42.776 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.250 0.896 42.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.910 2.963 41.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.164 2.229 40.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.222 2.788 41.546 1.00 0.00 H new ATOM 650 N CYS A 43 78.938 -5.098 38.877 1.00 0.00 N ATOM 651 CA CYS A 43 78.570 -6.153 37.889 1.00 0.00 C ATOM 652 C CYS A 43 79.220 -7.487 38.270 1.00 0.00 C ATOM 653 O CYS A 43 79.003 -8.494 37.626 1.00 0.00 O ATOM 654 CB CYS A 43 79.025 -5.737 36.493 1.00 0.00 C ATOM 655 SG CYS A 43 78.333 -4.112 36.090 1.00 0.00 S ATOM 0 H CYS A 43 79.734 -4.517 38.615 1.00 0.00 H new ATOM 0 HA CYS A 43 77.487 -6.275 37.893 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.114 -5.701 36.450 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.701 -6.474 35.759 1.00 0.00 H new ATOM 660 N GLN A 44 80.020 -7.507 39.302 1.00 0.00 N ATOM 661 CA GLN A 44 80.683 -8.785 39.702 1.00 0.00 C ATOM 662 C GLN A 44 79.643 -9.752 40.275 1.00 0.00 C ATOM 663 O GLN A 44 79.439 -10.836 39.765 1.00 0.00 O ATOM 664 CB GLN A 44 81.734 -8.481 40.777 1.00 0.00 C ATOM 665 CG GLN A 44 82.563 -9.736 41.089 1.00 0.00 C ATOM 666 CD GLN A 44 83.648 -9.918 40.027 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.836 -11.000 39.509 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.380 -8.895 39.689 1.00 0.00 N ATOM 0 H GLN A 44 80.243 -6.699 39.884 1.00 0.00 H new ATOM 0 HA GLN A 44 81.155 -9.240 38.831 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.390 -7.680 40.436 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.243 -8.127 41.684 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.018 -9.646 42.075 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.916 -10.613 41.115 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.220 -7.987 40.126 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.113 -9.002 38.988 1.00 0.00 H new ATOM 677 N LEU A 45 78.980 -9.366 41.331 1.00 0.00 N ATOM 678 CA LEU A 45 77.948 -10.260 41.940 1.00 0.00 C ATOM 679 C LEU A 45 76.601 -10.002 41.263 1.00 0.00 C ATOM 680 O LEU A 45 76.289 -8.887 40.892 1.00 0.00 O ATOM 681 CB LEU A 45 77.820 -9.955 43.436 1.00 0.00 C ATOM 682 CG LEU A 45 79.171 -10.149 44.138 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.023 -9.756 45.611 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.617 -11.618 44.041 1.00 0.00 C ATOM 0 H LEU A 45 79.107 -8.469 41.801 1.00 0.00 H new ATOM 0 HA LEU A 45 78.243 -11.300 41.804 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.473 -8.931 43.577 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.072 -10.609 43.885 1.00 0.00 H new ATOM 0 HG LEU A 45 79.922 -9.524 43.656 1.00 0.00 H new ATOM 0 HD11 LEU A 45 79.977 -9.890 46.121 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.718 -8.712 45.680 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.269 -10.386 46.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.577 -11.741 44.543 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.873 -12.256 44.518 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.717 -11.899 42.993 1.00 0.00 H new ATOM 696 N LYS A 46 75.796 -11.016 41.102 1.00 0.00 N ATOM 697 CA LYS A 46 74.469 -10.810 40.455 1.00 0.00 C ATOM 698 C LYS A 46 73.489 -10.249 41.488 1.00 0.00 C ATOM 699 O LYS A 46 72.399 -9.824 41.160 1.00 0.00 O ATOM 700 CB LYS A 46 73.950 -12.148 39.929 1.00 0.00 C ATOM 701 CG LYS A 46 74.919 -12.690 38.877 1.00 0.00 C ATOM 702 CD LYS A 46 74.403 -14.028 38.348 1.00 0.00 C ATOM 703 CE LYS A 46 75.373 -14.571 37.297 1.00 0.00 C ATOM 704 NZ LYS A 46 74.846 -15.855 36.755 1.00 0.00 N ATOM 0 H LYS A 46 75.998 -11.974 41.389 1.00 0.00 H new ATOM 0 HA LYS A 46 74.566 -10.109 39.626 1.00 0.00 H new ATOM 0 HB2 LYS A 46 73.850 -12.860 40.749 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.958 -12.021 39.495 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.019 -11.978 38.058 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.910 -12.817 39.312 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.302 -14.740 39.167 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.412 -13.901 37.912 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.497 -13.847 36.492 1.00 0.00 H new ATOM 0 HE3 LYS A 46 76.357 -14.727 37.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.504 -16.226 36.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.749 -16.544 37.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.916 -15.692 36.318 1.00 0.00 H new ATOM 718 N GLY A 47 73.875 -10.238 42.737 1.00 0.00 N ATOM 719 CA GLY A 47 72.978 -9.701 43.803 1.00 0.00 C ATOM 720 C GLY A 47 72.072 -10.819 44.324 1.00 0.00 C ATOM 721 O GLY A 47 71.458 -10.697 45.366 1.00 0.00 O ATOM 0 H GLY A 47 74.778 -10.580 43.066 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.572 -9.291 44.619 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.374 -8.885 43.407 1.00 0.00 H new ATOM 725 N GLU A 48 71.986 -11.909 43.614 1.00 0.00 N ATOM 726 CA GLU A 48 71.122 -13.034 44.075 1.00 0.00 C ATOM 727 C GLU A 48 71.871 -13.832 45.144 1.00 0.00 C ATOM 728 O GLU A 48 71.285 -14.320 46.089 1.00 0.00 O ATOM 729 CB GLU A 48 70.788 -13.938 42.886 1.00 0.00 C ATOM 730 CG GLU A 48 69.888 -15.089 43.344 1.00 0.00 C ATOM 731 CD GLU A 48 69.519 -15.954 42.138 1.00 0.00 C ATOM 732 OE1 GLU A 48 69.804 -15.538 41.026 1.00 0.00 O ATOM 733 OE2 GLU A 48 68.961 -17.017 42.343 1.00 0.00 O ATOM 0 H GLU A 48 72.476 -12.071 42.734 1.00 0.00 H new ATOM 0 HA GLU A 48 70.196 -12.644 44.497 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.288 -13.361 42.108 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.705 -14.333 42.449 1.00 0.00 H new ATOM 0 HG2 GLU A 48 70.401 -15.691 44.094 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.986 -14.696 43.813 1.00 0.00 H new ATOM 740 N ALA A 49 73.167 -13.948 44.991 1.00 0.00 N ATOM 741 CA ALA A 49 74.013 -14.699 45.974 1.00 0.00 C ATOM 742 C ALA A 49 73.242 -15.870 46.604 1.00 0.00 C ATOM 743 O ALA A 49 73.150 -16.941 46.038 1.00 0.00 O ATOM 744 CB ALA A 49 74.462 -13.738 47.078 1.00 0.00 C ATOM 0 H ALA A 49 73.686 -13.546 44.210 1.00 0.00 H new ATOM 0 HA ALA A 49 74.874 -15.108 45.445 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.079 -14.275 47.799 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.041 -12.925 46.640 1.00 0.00 H new ATOM 0 HB3 ALA A 49 73.587 -13.329 47.583 1.00 0.00 H new ATOM 750 N MET A 50 72.707 -15.675 47.779 1.00 0.00 N ATOM 751 CA MET A 50 71.960 -16.773 48.460 1.00 0.00 C ATOM 752 C MET A 50 70.535 -16.884 47.901 1.00 0.00 C ATOM 753 O MET A 50 69.819 -15.907 47.803 1.00 0.00 O ATOM 754 CB MET A 50 71.905 -16.474 49.960 1.00 0.00 C ATOM 755 CG MET A 50 71.369 -17.693 50.711 1.00 0.00 C ATOM 756 SD MET A 50 71.349 -17.338 52.486 1.00 0.00 S ATOM 757 CE MET A 50 70.607 -18.896 53.027 1.00 0.00 C ATOM 0 H MET A 50 72.755 -14.799 48.299 1.00 0.00 H new ATOM 0 HA MET A 50 72.471 -17.719 48.284 1.00 0.00 H new ATOM 0 HB2 MET A 50 72.899 -16.218 50.326 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.265 -15.611 50.145 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.364 -17.935 50.365 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.994 -18.563 50.509 1.00 0.00 H new ATOM 0 HE1 MET A 50 70.501 -18.891 54.112 1.00 0.00 H new ATOM 0 HE2 MET A 50 69.625 -19.011 52.567 1.00 0.00 H new ATOM 0 HE3 MET A 50 71.247 -19.727 52.729 1.00 0.00 H new ATOM 767 N HIS A 51 70.116 -18.072 47.546 1.00 0.00 N ATOM 768 CA HIS A 51 68.735 -18.251 47.006 1.00 0.00 C ATOM 769 C HIS A 51 67.736 -18.311 48.165 1.00 0.00 C ATOM 770 O HIS A 51 66.619 -17.845 48.058 1.00 0.00 O ATOM 771 CB HIS A 51 68.656 -19.559 46.212 1.00 0.00 C ATOM 772 CG HIS A 51 69.433 -19.427 44.933 1.00 0.00 C ATOM 773 ND1 HIS A 51 70.821 -19.431 44.905 1.00 0.00 N ATOM 774 CD2 HIS A 51 69.033 -19.300 43.624 1.00 0.00 C ATOM 775 CE1 HIS A 51 71.202 -19.309 43.621 1.00 0.00 C ATOM 776 NE2 HIS A 51 70.151 -19.226 42.803 1.00 0.00 N ATOM 0 H HIS A 51 70.671 -18.926 47.607 1.00 0.00 H new ATOM 0 HA HIS A 51 68.495 -17.411 46.354 1.00 0.00 H new ATOM 0 HB2 HIS A 51 69.055 -20.381 46.807 1.00 0.00 H new ATOM 0 HB3 HIS A 51 67.616 -19.800 45.993 1.00 0.00 H new ATOM 0 HD2 HIS A 51 68.008 -19.263 43.286 1.00 0.00 H new ATOM 0 HE1 HIS A 51 72.231 -19.282 43.293 1.00 0.00 H new ATOM 0 HE2 HIS A 51 70.166 -19.129 41.788 1.00 0.00 H new ATOM 785 N GLY A 52 68.135 -18.891 49.272 1.00 0.00 N ATOM 786 CA GLY A 52 67.225 -19.003 50.459 1.00 0.00 C ATOM 787 C GLY A 52 67.053 -20.480 50.830 1.00 0.00 C ATOM 788 O GLY A 52 67.601 -21.357 50.193 1.00 0.00 O ATOM 0 H GLY A 52 69.062 -19.296 49.406 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.639 -18.451 51.302 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.256 -18.558 50.232 1.00 0.00 H new ATOM 792 N GLN A 53 66.299 -20.761 51.860 1.00 0.00 N ATOM 793 CA GLN A 53 66.095 -22.181 52.277 1.00 0.00 C ATOM 794 C GLN A 53 65.018 -22.828 51.401 1.00 0.00 C ATOM 795 O GLN A 53 63.982 -22.251 51.142 1.00 0.00 O ATOM 796 CB GLN A 53 65.657 -22.220 53.746 1.00 0.00 C ATOM 797 CG GLN A 53 65.559 -23.673 54.228 1.00 0.00 C ATOM 798 CD GLN A 53 66.947 -24.315 54.216 1.00 0.00 C ATOM 799 OE1 GLN A 53 67.351 -24.901 53.231 1.00 0.00 O ATOM 800 NE2 GLN A 53 67.702 -24.228 55.277 1.00 0.00 N ATOM 0 H GLN A 53 65.815 -20.068 52.431 1.00 0.00 H new ATOM 0 HA GLN A 53 67.028 -22.732 52.160 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.371 -21.672 54.361 1.00 0.00 H new ATOM 0 HB3 GLN A 53 64.692 -21.725 53.859 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.142 -23.705 55.234 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.882 -24.235 53.584 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.364 -23.736 56.104 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.630 -24.652 55.279 1.00 0.00 H new ATOM 809 N VAL A 54 65.260 -24.030 50.944 1.00 0.00 N ATOM 810 CA VAL A 54 64.259 -24.730 50.084 1.00 0.00 C ATOM 811 C VAL A 54 63.303 -25.546 50.959 1.00 0.00 C ATOM 812 O VAL A 54 62.156 -25.190 51.144 1.00 0.00 O ATOM 813 CB VAL A 54 64.988 -25.672 49.125 1.00 0.00 C ATOM 814 CG1 VAL A 54 63.984 -26.286 48.148 1.00 0.00 C ATOM 815 CG2 VAL A 54 66.041 -24.887 48.342 1.00 0.00 C ATOM 0 H VAL A 54 66.112 -24.559 51.131 1.00 0.00 H new ATOM 0 HA VAL A 54 63.691 -23.991 49.519 1.00 0.00 H new ATOM 0 HB VAL A 54 65.472 -26.465 49.695 1.00 0.00 H new ATOM 0 HG11 VAL A 54 64.505 -26.957 47.465 1.00 0.00 H new ATOM 0 HG12 VAL A 54 63.232 -26.846 48.703 1.00 0.00 H new ATOM 0 HG13 VAL A 54 63.499 -25.493 47.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.561 -25.558 47.658 1.00 0.00 H new ATOM 0 HG22 VAL A 54 65.555 -24.094 47.773 1.00 0.00 H new ATOM 0 HG23 VAL A 54 66.758 -24.449 49.036 1.00 0.00 H new ATOM 825 N ASP A 55 63.769 -26.645 51.489 1.00 0.00 N ATOM 826 CA ASP A 55 62.896 -27.502 52.347 1.00 0.00 C ATOM 827 C ASP A 55 63.754 -28.204 53.403 1.00 0.00 C ATOM 828 O ASP A 55 64.780 -27.653 53.765 1.00 0.00 O ATOM 829 CB ASP A 55 62.208 -28.553 51.472 1.00 0.00 C ATOM 830 CG ASP A 55 63.266 -29.447 50.824 1.00 0.00 C ATOM 831 OD1 ASP A 55 64.424 -29.062 50.832 1.00 0.00 O ATOM 832 OD2 ASP A 55 62.903 -30.503 50.333 1.00 0.00 O ATOM 833 OXT ASP A 55 63.370 -29.280 53.829 1.00 0.00 O ATOM 0 H ASP A 55 64.721 -26.989 51.365 1.00 0.00 H new ATOM 0 HA ASP A 55 62.145 -26.885 52.840 1.00 0.00 H new ATOM 0 HB2 ASP A 55 61.527 -29.155 52.075 1.00 0.00 H new ATOM 0 HB3 ASP A 55 61.608 -28.066 50.704 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.745 -12.237 23.471 1.00 0.00 N ATOM 840 CA PHE B 1 94.804 -13.173 22.795 1.00 0.00 C ATOM 841 C PHE B 1 95.584 -14.375 22.273 1.00 0.00 C ATOM 842 O PHE B 1 95.596 -14.663 21.093 1.00 0.00 O ATOM 843 CB PHE B 1 94.147 -12.461 21.623 1.00 0.00 C ATOM 844 CG PHE B 1 93.649 -11.105 22.065 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.404 -10.981 22.692 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.437 -9.968 21.841 1.00 0.00 C ATOM 847 CE1 PHE B 1 91.947 -9.717 23.093 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.978 -8.707 22.242 1.00 0.00 C ATOM 849 CZ PHE B 1 92.734 -8.582 22.866 1.00 0.00 C ATOM 0 H1 PHE B 1 95.553 -11.264 23.157 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.617 -12.300 24.501 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.723 -12.493 23.228 1.00 0.00 H new ATOM 0 HA PHE B 1 94.042 -13.503 23.501 1.00 0.00 H new ATOM 0 HB2 PHE B 1 94.861 -12.349 20.807 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.318 -13.057 21.242 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.796 -11.857 22.867 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.399 -10.064 21.359 1.00 0.00 H new ATOM 0 HE1 PHE B 1 90.987 -9.619 23.577 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.586 -7.831 22.069 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.380 -7.609 23.173 1.00 0.00 H new ATOM 861 N LEU B 2 96.240 -15.071 23.150 1.00 0.00 N ATOM 862 CA LEU B 2 97.039 -16.262 22.735 1.00 0.00 C ATOM 863 C LEU B 2 96.213 -17.530 22.883 1.00 0.00 C ATOM 864 O LEU B 2 95.418 -17.663 23.783 1.00 0.00 O ATOM 865 CB LEU B 2 98.288 -16.378 23.613 1.00 0.00 C ATOM 866 CG LEU B 2 99.178 -15.141 23.438 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.339 -15.213 24.438 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.736 -15.084 22.004 1.00 0.00 C ATOM 0 H LEU B 2 96.261 -14.868 24.149 1.00 0.00 H new ATOM 0 HA LEU B 2 97.328 -16.139 21.691 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.998 -16.481 24.659 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.846 -17.276 23.347 1.00 0.00 H new ATOM 0 HG LEU B 2 98.586 -14.244 23.620 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.976 -14.337 24.319 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.944 -15.239 25.453 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.923 -16.114 24.253 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.366 -14.201 21.893 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.327 -15.978 21.808 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.910 -15.032 21.294 1.00 0.00 H new ATOM 880 N ASP B 3 96.415 -18.475 22.012 1.00 0.00 N ATOM 881 CA ASP B 3 95.656 -19.748 22.118 1.00 0.00 C ATOM 882 C ASP B 3 95.982 -20.375 23.470 1.00 0.00 C ATOM 883 O ASP B 3 95.125 -20.908 24.146 1.00 0.00 O ATOM 884 CB ASP B 3 96.078 -20.700 20.997 1.00 0.00 C ATOM 885 CG ASP B 3 95.567 -20.170 19.656 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.666 -19.349 19.672 1.00 0.00 O ATOM 887 OD2 ASP B 3 96.090 -20.592 18.637 1.00 0.00 O ATOM 0 H ASP B 3 97.071 -18.421 21.233 1.00 0.00 H new ATOM 0 HA ASP B 3 94.586 -19.559 22.030 1.00 0.00 H new ATOM 0 HB2 ASP B 3 97.164 -20.792 20.973 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.678 -21.697 21.182 1.00 0.00 H new ATOM 892 N GLY B 4 97.223 -20.302 23.874 1.00 0.00 N ATOM 893 CA GLY B 4 97.622 -20.877 25.191 1.00 0.00 C ATOM 894 C GLY B 4 96.612 -20.444 26.252 1.00 0.00 C ATOM 895 O GLY B 4 96.510 -21.036 27.309 1.00 0.00 O ATOM 0 H GLY B 4 97.980 -19.867 23.346 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.661 -21.965 25.130 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.621 -20.537 25.462 1.00 0.00 H new ATOM 899 N ILE B 5 95.851 -19.422 25.969 1.00 0.00 N ATOM 900 CA ILE B 5 94.832 -18.959 26.949 1.00 0.00 C ATOM 901 C ILE B 5 93.852 -20.100 27.214 1.00 0.00 C ATOM 902 O ILE B 5 93.463 -20.350 28.338 1.00 0.00 O ATOM 903 CB ILE B 5 94.103 -17.741 26.377 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.067 -16.553 26.370 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.869 -17.414 27.231 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.458 -15.390 25.579 1.00 0.00 C ATOM 0 H ILE B 5 95.892 -18.888 25.101 1.00 0.00 H new ATOM 0 HA ILE B 5 95.305 -18.672 27.888 1.00 0.00 H new ATOM 0 HB ILE B 5 93.770 -17.954 25.361 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.277 -16.238 27.392 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.018 -16.848 25.926 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.358 -16.546 26.815 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.191 -18.268 27.233 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.181 -17.196 28.253 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.150 -14.548 25.579 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.271 -15.706 24.553 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.519 -15.087 26.042 1.00 0.00 H new ATOM 918 N ASP B 6 93.476 -20.812 26.192 1.00 0.00 N ATOM 919 CA ASP B 6 92.550 -21.958 26.386 1.00 0.00 C ATOM 920 C ASP B 6 93.222 -22.975 27.307 1.00 0.00 C ATOM 921 O ASP B 6 92.600 -23.561 28.170 1.00 0.00 O ATOM 922 CB ASP B 6 92.243 -22.608 25.036 1.00 0.00 C ATOM 923 CG ASP B 6 91.328 -21.690 24.222 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.736 -20.802 24.815 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.235 -21.888 23.023 1.00 0.00 O ATOM 0 H ASP B 6 93.770 -20.650 25.229 1.00 0.00 H new ATOM 0 HA ASP B 6 91.617 -21.612 26.830 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.169 -22.792 24.491 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.764 -23.575 25.187 1.00 0.00 H new ATOM 930 N LYS B 7 94.498 -23.184 27.127 1.00 0.00 N ATOM 931 CA LYS B 7 95.230 -24.155 27.986 1.00 0.00 C ATOM 932 C LYS B 7 95.266 -23.623 29.417 1.00 0.00 C ATOM 933 O LYS B 7 95.161 -24.365 30.374 1.00 0.00 O ATOM 934 CB LYS B 7 96.664 -24.312 27.479 1.00 0.00 C ATOM 935 CG LYS B 7 96.651 -24.892 26.066 1.00 0.00 C ATOM 936 CD LYS B 7 98.089 -25.046 25.568 1.00 0.00 C ATOM 937 CE LYS B 7 98.089 -25.694 24.181 1.00 0.00 C ATOM 938 NZ LYS B 7 99.452 -26.213 23.882 1.00 0.00 N ATOM 0 H LYS B 7 95.067 -22.721 26.418 1.00 0.00 H new ATOM 0 HA LYS B 7 94.725 -25.120 27.955 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.168 -23.346 27.481 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.226 -24.966 28.146 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.147 -25.859 26.062 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.091 -24.238 25.398 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.575 -24.071 25.524 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.662 -25.657 26.265 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.362 -26.506 24.146 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.791 -24.966 23.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.457 -26.654 22.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.134 -25.428 23.900 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.719 -26.920 24.597 1.00 0.00 H new ATOM 952 N ALA B 8 95.418 -22.337 29.568 1.00 0.00 N ATOM 953 CA ALA B 8 95.468 -21.744 30.932 1.00 0.00 C ATOM 954 C ALA B 8 94.168 -22.062 31.672 1.00 0.00 C ATOM 955 O ALA B 8 94.160 -22.254 32.872 1.00 0.00 O ATOM 956 CB ALA B 8 95.634 -20.227 30.820 1.00 0.00 C ATOM 0 H ALA B 8 95.510 -21.669 28.802 1.00 0.00 H new ATOM 0 HA ALA B 8 96.311 -22.163 31.482 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.671 -19.790 31.818 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.559 -20.000 30.290 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.790 -19.808 30.272 1.00 0.00 H new ATOM 962 N GLN B 9 93.068 -22.123 30.970 1.00 0.00 N ATOM 963 CA GLN B 9 91.776 -22.434 31.645 1.00 0.00 C ATOM 964 C GLN B 9 91.879 -23.808 32.311 1.00 0.00 C ATOM 965 O GLN B 9 91.432 -24.011 33.423 1.00 0.00 O ATOM 966 CB GLN B 9 90.655 -22.469 30.601 1.00 0.00 C ATOM 967 CG GLN B 9 90.380 -21.058 30.081 1.00 0.00 C ATOM 968 CD GLN B 9 89.263 -21.107 29.037 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.301 -21.832 29.194 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.356 -20.369 27.965 1.00 0.00 N ATOM 0 H GLN B 9 93.009 -21.972 29.963 1.00 0.00 H new ATOM 0 HA GLN B 9 91.559 -21.672 32.393 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.937 -23.121 29.775 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.749 -22.886 31.042 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.093 -20.405 30.905 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.285 -20.638 29.641 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.164 -19.760 27.833 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.621 -20.401 27.259 1.00 0.00 H new ATOM 979 N GLU B 10 92.470 -24.751 31.630 1.00 0.00 N ATOM 980 CA GLU B 10 92.620 -26.122 32.198 1.00 0.00 C ATOM 981 C GLU B 10 93.483 -26.072 33.460 1.00 0.00 C ATOM 982 O GLU B 10 93.230 -26.762 34.429 1.00 0.00 O ATOM 983 CB GLU B 10 93.297 -27.024 31.166 1.00 0.00 C ATOM 984 CG GLU B 10 92.337 -27.290 30.006 1.00 0.00 C ATOM 985 CD GLU B 10 93.067 -28.077 28.917 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.813 -27.464 28.171 1.00 0.00 O ATOM 987 OE2 GLU B 10 92.876 -29.280 28.853 1.00 0.00 O ATOM 0 H GLU B 10 92.859 -24.629 30.695 1.00 0.00 H new ATOM 0 HA GLU B 10 91.635 -26.515 32.449 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.207 -26.551 30.797 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.592 -27.965 31.629 1.00 0.00 H new ATOM 0 HG2 GLU B 10 91.471 -27.850 30.357 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.965 -26.348 29.603 1.00 0.00 H new ATOM 994 N GLU B 11 94.518 -25.277 33.443 1.00 0.00 N ATOM 995 CA GLU B 11 95.430 -25.191 34.624 1.00 0.00 C ATOM 996 C GLU B 11 94.999 -24.039 35.534 1.00 0.00 C ATOM 997 O GLU B 11 95.685 -23.692 36.475 1.00 0.00 O ATOM 998 CB GLU B 11 96.857 -24.946 34.131 1.00 0.00 C ATOM 999 CG GLU B 11 97.305 -26.129 33.269 1.00 0.00 C ATOM 1000 CD GLU B 11 98.732 -25.891 32.772 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.237 -24.799 32.979 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.294 -26.803 32.187 1.00 0.00 O ATOM 0 H GLU B 11 94.774 -24.679 32.658 1.00 0.00 H new ATOM 0 HA GLU B 11 95.385 -26.123 35.188 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.901 -24.023 33.553 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.531 -24.823 34.979 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.260 -27.051 33.848 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.630 -26.251 32.422 1.00 0.00 H new ATOM 1009 N CYS B 12 93.868 -23.445 35.270 1.00 0.00 N ATOM 1010 CA CYS B 12 93.400 -22.323 36.133 1.00 0.00 C ATOM 1011 C CYS B 12 93.465 -22.756 37.600 1.00 0.00 C ATOM 1012 O CYS B 12 93.954 -22.042 38.452 1.00 0.00 O ATOM 1013 CB CYS B 12 91.955 -21.968 35.773 1.00 0.00 C ATOM 1014 SG CYS B 12 91.399 -20.587 36.804 1.00 0.00 S ATOM 0 H CYS B 12 93.249 -23.687 34.496 1.00 0.00 H new ATOM 0 HA CYS B 12 94.037 -21.452 35.977 1.00 0.00 H new ATOM 0 HB2 CYS B 12 91.887 -21.699 34.719 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.308 -22.832 35.924 1.00 0.00 H new ATOM 1019 N GLU B 13 92.968 -23.926 37.893 1.00 0.00 N ATOM 1020 CA GLU B 13 92.986 -24.430 39.296 1.00 0.00 C ATOM 1021 C GLU B 13 94.433 -24.545 39.789 1.00 0.00 C ATOM 1022 O GLU B 13 94.729 -24.293 40.941 1.00 0.00 O ATOM 1023 CB GLU B 13 92.321 -25.808 39.340 1.00 0.00 C ATOM 1024 CG GLU B 13 90.818 -25.652 39.094 1.00 0.00 C ATOM 1025 CD GLU B 13 90.143 -27.025 39.135 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.856 -28.014 39.167 1.00 0.00 O ATOM 1027 OE2 GLU B 13 88.923 -27.063 39.127 1.00 0.00 O ATOM 0 H GLU B 13 92.546 -24.560 37.215 1.00 0.00 H new ATOM 0 HA GLU B 13 92.444 -23.736 39.939 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.759 -26.460 38.585 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.496 -26.278 40.308 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.382 -24.999 39.850 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.645 -25.180 38.127 1.00 0.00 H new ATOM 1034 N LYS B 14 95.331 -24.943 38.929 1.00 0.00 N ATOM 1035 CA LYS B 14 96.755 -25.098 39.345 1.00 0.00 C ATOM 1036 C LYS B 14 97.319 -23.758 39.835 1.00 0.00 C ATOM 1037 O LYS B 14 98.105 -23.715 40.759 1.00 0.00 O ATOM 1038 CB LYS B 14 97.582 -25.609 38.156 1.00 0.00 C ATOM 1039 CG LYS B 14 99.059 -25.781 38.553 1.00 0.00 C ATOM 1040 CD LYS B 14 99.191 -26.791 39.703 1.00 0.00 C ATOM 1041 CE LYS B 14 100.625 -27.325 39.761 1.00 0.00 C ATOM 1042 NZ LYS B 14 100.850 -27.999 41.072 1.00 0.00 N ATOM 0 H LYS B 14 95.139 -25.168 37.953 1.00 0.00 H new ATOM 0 HA LYS B 14 96.809 -25.817 40.163 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.180 -26.561 37.810 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.503 -24.909 37.324 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.636 -26.122 37.693 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.475 -24.820 38.855 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.932 -26.315 40.649 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.492 -27.615 39.558 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.797 -28.027 38.945 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.335 -26.508 39.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.824 -28.362 41.113 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.702 -27.317 41.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.181 -28.789 41.176 1.00 0.00 H new ATOM 1056 N TYR B 15 96.942 -22.668 39.223 1.00 0.00 N ATOM 1057 CA TYR B 15 97.486 -21.347 39.665 1.00 0.00 C ATOM 1058 C TYR B 15 96.684 -20.831 40.861 1.00 0.00 C ATOM 1059 O TYR B 15 97.109 -19.930 41.556 1.00 0.00 O ATOM 1060 CB TYR B 15 97.378 -20.333 38.525 1.00 0.00 C ATOM 1061 CG TYR B 15 98.312 -20.720 37.402 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.685 -20.468 37.515 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.804 -21.329 36.248 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.550 -20.823 36.473 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.669 -21.683 35.206 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.042 -21.431 35.318 1.00 0.00 C ATOM 1067 OH TYR B 15 100.893 -21.781 34.291 1.00 0.00 O ATOM 0 H TYR B 15 96.287 -22.632 38.442 1.00 0.00 H new ATOM 0 HA TYR B 15 98.531 -21.474 39.947 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.352 -20.292 38.159 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.626 -19.336 38.889 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.077 -20.000 38.406 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.746 -21.525 36.162 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.609 -20.628 36.560 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.277 -22.151 34.315 1.00 0.00 H new ATOM 0 HH TYR B 15 101.761 -21.346 34.423 1.00 0.00 H new ATOM 1077 N HIS B 16 95.529 -21.391 41.104 1.00 0.00 N ATOM 1078 CA HIS B 16 94.702 -20.936 42.260 1.00 0.00 C ATOM 1079 C HIS B 16 94.409 -19.440 42.128 1.00 0.00 C ATOM 1080 O HIS B 16 94.092 -18.948 41.063 1.00 0.00 O ATOM 1081 CB HIS B 16 95.442 -21.201 43.577 1.00 0.00 C ATOM 1082 CG HIS B 16 95.813 -22.654 43.662 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.906 -23.625 44.061 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.987 -23.318 43.404 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.544 -24.810 44.032 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.811 -24.676 43.640 1.00 0.00 N ATOM 0 H HIS B 16 95.122 -22.145 40.551 1.00 0.00 H new ATOM 0 HA HIS B 16 93.764 -21.491 42.262 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.338 -20.583 43.634 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.811 -20.926 44.422 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.904 -22.857 43.070 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.086 -25.752 44.294 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.506 -25.415 43.535 1.00 0.00 H new ATOM 1095 N SER B 17 94.508 -18.717 43.209 1.00 0.00 N ATOM 1096 CA SER B 17 94.233 -17.254 43.169 1.00 0.00 C ATOM 1097 C SER B 17 95.474 -16.500 42.684 1.00 0.00 C ATOM 1098 O SER B 17 95.440 -15.303 42.480 1.00 0.00 O ATOM 1099 CB SER B 17 93.867 -16.775 44.573 1.00 0.00 C ATOM 1100 OG SER B 17 92.708 -17.468 45.018 1.00 0.00 O ATOM 0 H SER B 17 94.770 -19.080 44.125 1.00 0.00 H new ATOM 0 HA SER B 17 93.408 -17.061 42.483 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.696 -16.952 45.258 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.683 -15.701 44.567 1.00 0.00 H new ATOM 0 HG SER B 17 92.471 -17.164 45.919 1.00 0.00 H new ATOM 1106 N ASN B 18 96.573 -17.181 42.505 1.00 0.00 N ATOM 1107 CA ASN B 18 97.809 -16.485 42.041 1.00 0.00 C ATOM 1108 C ASN B 18 97.751 -16.295 40.524 1.00 0.00 C ATOM 1109 O ASN B 18 98.455 -16.949 39.779 1.00 0.00 O ATOM 1110 CB ASN B 18 99.037 -17.331 42.402 1.00 0.00 C ATOM 1111 CG ASN B 18 99.373 -17.150 43.884 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.826 -16.287 44.543 1.00 0.00 O ATOM 1113 ND2 ASN B 18 100.263 -17.927 44.436 1.00 0.00 N ATOM 0 H ASN B 18 96.670 -18.185 42.659 1.00 0.00 H new ATOM 0 HA ASN B 18 97.881 -15.512 42.526 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.841 -18.382 42.190 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.887 -17.035 41.788 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.501 -17.811 45.421 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.722 -18.651 43.883 1.00 0.00 H new ATOM 1120 N TRP B 19 96.925 -15.398 40.058 1.00 0.00 N ATOM 1121 CA TRP B 19 96.835 -15.163 38.591 1.00 0.00 C ATOM 1122 C TRP B 19 98.122 -14.486 38.105 1.00 0.00 C ATOM 1123 O TRP B 19 98.482 -14.572 36.947 1.00 0.00 O ATOM 1124 CB TRP B 19 95.631 -14.268 38.279 1.00 0.00 C ATOM 1125 CG TRP B 19 95.782 -12.947 38.962 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.257 -12.629 40.169 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.498 -11.763 38.503 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.597 -11.323 40.474 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.363 -10.748 39.479 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.241 -11.475 37.344 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.945 -9.490 39.311 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.829 -10.212 37.173 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.681 -9.221 38.154 1.00 0.00 C ATOM 0 H TRP B 19 96.310 -14.819 40.630 1.00 0.00 H new ATOM 0 HA TRP B 19 96.709 -16.117 38.080 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.546 -14.122 37.202 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.712 -14.753 38.608 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.669 -13.287 40.792 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.316 -10.843 41.329 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.360 -12.230 36.581 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.827 -8.730 40.070 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.399 -10.002 36.280 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.135 -8.251 38.016 1.00 0.00 H new ATOM 1144 N ARG B 20 98.817 -13.810 38.982 1.00 0.00 N ATOM 1145 CA ARG B 20 100.080 -13.125 38.575 1.00 0.00 C ATOM 1146 C ARG B 20 101.090 -14.141 38.040 1.00 0.00 C ATOM 1147 O ARG B 20 101.784 -13.889 37.075 1.00 0.00 O ATOM 1148 CB ARG B 20 100.683 -12.411 39.787 1.00 0.00 C ATOM 1149 CG ARG B 20 99.824 -11.200 40.154 1.00 0.00 C ATOM 1150 CD ARG B 20 100.434 -10.491 41.366 1.00 0.00 C ATOM 1151 NE ARG B 20 99.602 -9.308 41.722 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.738 -8.742 42.890 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.584 -9.229 43.756 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.026 -7.691 43.193 1.00 0.00 N ATOM 0 H ARG B 20 98.564 -13.702 39.964 1.00 0.00 H new ATOM 0 HA ARG B 20 99.851 -12.404 37.790 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.742 -13.096 40.632 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.701 -12.092 39.564 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.764 -10.513 39.309 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.806 -11.518 40.379 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.490 -11.177 42.211 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.454 -10.177 41.142 1.00 0.00 H new ATOM 0 HE ARG B 20 98.926 -8.940 41.053 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.139 -10.052 43.520 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.691 -8.787 44.669 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.363 -7.312 42.517 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.132 -7.249 44.106 1.00 0.00 H new ATOM 1168 N ALA B 21 101.185 -15.285 38.656 1.00 0.00 N ATOM 1169 CA ALA B 21 102.159 -16.305 38.177 1.00 0.00 C ATOM 1170 C ALA B 21 101.734 -16.802 36.793 1.00 0.00 C ATOM 1171 O ALA B 21 102.551 -17.008 35.917 1.00 0.00 O ATOM 1172 CB ALA B 21 102.187 -17.480 39.160 1.00 0.00 C ATOM 0 H ALA B 21 100.632 -15.558 39.469 1.00 0.00 H new ATOM 0 HA ALA B 21 103.153 -15.862 38.113 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.899 -18.228 38.812 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.488 -17.123 40.145 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.194 -17.925 39.223 1.00 0.00 H new ATOM 1178 N MET B 22 100.460 -16.993 36.590 1.00 0.00 N ATOM 1179 CA MET B 22 99.974 -17.474 35.266 1.00 0.00 C ATOM 1180 C MET B 22 100.299 -16.441 34.183 1.00 0.00 C ATOM 1181 O MET B 22 100.722 -16.780 33.096 1.00 0.00 O ATOM 1182 CB MET B 22 98.462 -17.684 35.339 1.00 0.00 C ATOM 1183 CG MET B 22 97.967 -18.310 34.036 1.00 0.00 C ATOM 1184 SD MET B 22 96.237 -18.806 34.227 1.00 0.00 S ATOM 1185 CE MET B 22 95.567 -17.166 34.596 1.00 0.00 C ATOM 0 H MET B 22 99.732 -16.836 37.287 1.00 0.00 H new ATOM 0 HA MET B 22 100.467 -18.413 35.016 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.215 -18.330 36.181 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.960 -16.732 35.510 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.064 -17.597 33.217 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.579 -19.175 33.780 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.504 -17.144 34.354 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.703 -16.947 35.655 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.090 -16.417 34.001 1.00 0.00 H new ATOM 1195 N ALA B 23 100.107 -15.183 34.470 1.00 0.00 N ATOM 1196 CA ALA B 23 100.404 -14.131 33.456 1.00 0.00 C ATOM 1197 C ALA B 23 101.881 -14.206 33.057 1.00 0.00 C ATOM 1198 O ALA B 23 102.233 -14.045 31.906 1.00 0.00 O ATOM 1199 CB ALA B 23 100.107 -12.754 34.056 1.00 0.00 C ATOM 0 H ALA B 23 99.757 -14.837 35.364 1.00 0.00 H new ATOM 0 HA ALA B 23 99.783 -14.288 32.574 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.323 -11.981 33.318 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.056 -12.700 34.341 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.730 -12.599 34.937 1.00 0.00 H new ATOM 1205 N SER B 24 102.745 -14.437 34.007 1.00 0.00 N ATOM 1206 CA SER B 24 104.202 -14.513 33.701 1.00 0.00 C ATOM 1207 C SER B 24 104.500 -15.741 32.836 1.00 0.00 C ATOM 1208 O SER B 24 105.329 -15.699 31.950 1.00 0.00 O ATOM 1209 CB SER B 24 104.990 -14.614 35.007 1.00 0.00 C ATOM 1210 OG SER B 24 106.381 -14.539 34.724 1.00 0.00 O ATOM 0 H SER B 24 102.503 -14.577 34.988 1.00 0.00 H new ATOM 0 HA SER B 24 104.496 -13.615 33.157 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.701 -13.809 35.683 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.760 -15.552 35.512 1.00 0.00 H new ATOM 0 HG SER B 24 106.889 -14.602 35.560 1.00 0.00 H new ATOM 1216 N ASP B 25 103.844 -16.837 33.094 1.00 0.00 N ATOM 1217 CA ASP B 25 104.110 -18.067 32.294 1.00 0.00 C ATOM 1218 C ASP B 25 103.603 -17.878 30.864 1.00 0.00 C ATOM 1219 O ASP B 25 104.244 -18.280 29.913 1.00 0.00 O ATOM 1220 CB ASP B 25 103.389 -19.249 32.940 1.00 0.00 C ATOM 1221 CG ASP B 25 104.070 -19.600 34.264 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.221 -19.226 34.431 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.433 -20.237 35.087 1.00 0.00 O ATOM 0 H ASP B 25 103.137 -16.936 33.822 1.00 0.00 H new ATOM 0 HA ASP B 25 105.183 -18.258 32.268 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.342 -19.000 33.112 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.406 -20.109 32.271 1.00 0.00 H new ATOM 1228 N PHE B 26 102.465 -17.260 30.702 1.00 0.00 N ATOM 1229 CA PHE B 26 101.920 -17.031 29.327 1.00 0.00 C ATOM 1230 C PHE B 26 102.294 -15.615 28.871 1.00 0.00 C ATOM 1231 O PHE B 26 101.984 -15.203 27.771 1.00 0.00 O ATOM 1232 CB PHE B 26 100.395 -17.187 29.350 1.00 0.00 C ATOM 1233 CG PHE B 26 100.036 -18.647 29.541 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.003 -19.198 30.829 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.728 -19.449 28.431 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.667 -20.545 31.007 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.392 -20.796 28.613 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.361 -21.344 29.899 1.00 0.00 C ATOM 0 H PHE B 26 101.886 -16.902 31.462 1.00 0.00 H new ATOM 0 HA PHE B 26 102.341 -17.759 28.634 1.00 0.00 H new ATOM 0 HB2 PHE B 26 99.970 -16.589 30.156 1.00 0.00 H new ATOM 0 HB3 PHE B 26 99.967 -16.816 28.419 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.237 -18.583 31.685 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.750 -19.027 27.437 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.644 -20.968 32.000 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.156 -21.413 27.758 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.101 -22.383 30.037 1.00 0.00 H new ATOM 1248 N ASN B 27 102.973 -14.871 29.708 1.00 0.00 N ATOM 1249 CA ASN B 27 103.382 -13.486 29.329 1.00 0.00 C ATOM 1250 C ASN B 27 102.166 -12.699 28.837 1.00 0.00 C ATOM 1251 O ASN B 27 102.203 -12.077 27.793 1.00 0.00 O ATOM 1252 CB ASN B 27 104.432 -13.549 28.217 1.00 0.00 C ATOM 1253 CG ASN B 27 105.674 -14.278 28.731 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.164 -13.958 29.898 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.203 -15.145 28.066 1.00 0.00 N flip ATOM 0 H ASN B 27 103.262 -15.166 30.641 1.00 0.00 H new ATOM 0 HA ASN B 27 103.803 -12.987 30.202 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.026 -14.067 27.348 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.696 -12.542 27.893 1.00 0.00 H new ATOM 0 HD21 ASN B 27 105.819 -15.394 27.154 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.031 -15.624 28.419 1.00 0.00 H new ATOM 1262 N LEU B 28 101.088 -12.724 29.581 1.00 0.00 N ATOM 1263 CA LEU B 28 99.849 -11.985 29.172 1.00 0.00 C ATOM 1264 C LEU B 28 99.521 -10.894 30.211 1.00 0.00 C ATOM 1265 O LEU B 28 99.386 -11.193 31.382 1.00 0.00 O ATOM 1266 CB LEU B 28 98.686 -12.971 29.129 1.00 0.00 C ATOM 1267 CG LEU B 28 98.824 -13.893 27.911 1.00 0.00 C ATOM 1268 CD1 LEU B 28 97.864 -15.074 28.073 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.499 -13.126 26.609 1.00 0.00 C ATOM 0 H LEU B 28 101.011 -13.230 30.464 1.00 0.00 H new ATOM 0 HA LEU B 28 100.007 -11.526 28.196 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.667 -13.564 30.044 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.741 -12.430 29.080 1.00 0.00 H new ATOM 0 HG LEU B 28 99.851 -14.254 27.847 1.00 0.00 H new ATOM 0 HD11 LEU B 28 97.954 -15.737 27.212 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.113 -15.623 28.981 1.00 0.00 H new ATOM 0 HD13 LEU B 28 96.841 -14.704 28.141 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.602 -13.797 25.756 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.477 -12.750 26.653 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.188 -12.289 26.498 1.00 0.00 H new ATOM 1281 N PRO B 29 99.367 -9.642 29.814 1.00 0.00 N ATOM 1282 CA PRO B 29 99.026 -8.555 30.778 1.00 0.00 C ATOM 1283 C PRO B 29 97.873 -8.969 31.717 1.00 0.00 C ATOM 1284 O PRO B 29 97.011 -9.733 31.332 1.00 0.00 O ATOM 1285 CB PRO B 29 98.592 -7.393 29.875 1.00 0.00 C ATOM 1286 CG PRO B 29 99.348 -7.598 28.602 1.00 0.00 C ATOM 1287 CD PRO B 29 99.507 -9.115 28.438 1.00 0.00 C ATOM 0 HA PRO B 29 99.862 -8.305 31.431 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.516 -7.406 29.703 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.831 -6.430 30.327 1.00 0.00 H new ATOM 0 HG2 PRO B 29 98.810 -7.169 27.756 1.00 0.00 H new ATOM 0 HG3 PRO B 29 100.320 -7.107 28.643 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.747 -9.526 27.774 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.476 -9.371 28.010 1.00 0.00 H new ATOM 1295 N PRO B 30 97.846 -8.473 32.933 1.00 0.00 N ATOM 1296 CA PRO B 30 96.769 -8.813 33.911 1.00 0.00 C ATOM 1297 C PRO B 30 95.365 -8.850 33.283 1.00 0.00 C ATOM 1298 O PRO B 30 94.449 -9.423 33.837 1.00 0.00 O ATOM 1299 CB PRO B 30 96.854 -7.676 34.941 1.00 0.00 C ATOM 1300 CG PRO B 30 98.284 -7.225 34.922 1.00 0.00 C ATOM 1301 CD PRO B 30 98.833 -7.541 33.519 1.00 0.00 C ATOM 0 HA PRO B 30 96.913 -9.811 34.326 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.181 -6.859 34.680 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.565 -8.023 35.933 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.355 -6.158 35.133 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.862 -7.741 35.688 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.929 -6.637 32.918 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.823 -7.995 33.574 1.00 0.00 H new ATOM 1309 N VAL B 31 95.173 -8.216 32.158 1.00 0.00 N ATOM 1310 CA VAL B 31 93.812 -8.194 31.544 1.00 0.00 C ATOM 1311 C VAL B 31 93.322 -9.617 31.228 1.00 0.00 C ATOM 1312 O VAL B 31 92.235 -10.005 31.603 1.00 0.00 O ATOM 1313 CB VAL B 31 93.859 -7.379 30.246 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.545 -7.544 29.467 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.073 -5.901 30.583 1.00 0.00 C ATOM 0 H VAL B 31 95.894 -7.715 31.639 1.00 0.00 H new ATOM 0 HA VAL B 31 93.121 -7.741 32.255 1.00 0.00 H new ATOM 0 HB VAL B 31 94.682 -7.739 29.629 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.591 -6.960 28.548 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.397 -8.596 29.222 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.713 -7.193 30.078 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.107 -5.319 29.662 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.251 -5.547 31.206 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.013 -5.783 31.121 1.00 0.00 H new ATOM 1325 N VAL B 32 94.098 -10.388 30.525 1.00 0.00 N ATOM 1326 CA VAL B 32 93.647 -11.766 30.171 1.00 0.00 C ATOM 1327 C VAL B 32 93.664 -12.675 31.400 1.00 0.00 C ATOM 1328 O VAL B 32 92.787 -13.493 31.585 1.00 0.00 O ATOM 1329 CB VAL B 32 94.557 -12.351 29.101 1.00 0.00 C ATOM 1330 CG1 VAL B 32 93.951 -13.653 28.579 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.701 -11.356 27.947 1.00 0.00 C ATOM 0 H VAL B 32 95.022 -10.129 30.180 1.00 0.00 H new ATOM 0 HA VAL B 32 92.627 -11.704 29.793 1.00 0.00 H new ATOM 0 HB VAL B 32 95.539 -12.550 29.529 1.00 0.00 H new ATOM 0 HG11 VAL B 32 94.601 -14.075 27.812 1.00 0.00 H new ATOM 0 HG12 VAL B 32 93.851 -14.363 29.400 1.00 0.00 H new ATOM 0 HG13 VAL B 32 92.969 -13.452 28.152 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.353 -11.778 27.182 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.720 -11.154 27.516 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.132 -10.427 28.319 1.00 0.00 H new ATOM 1341 N ALA B 33 94.660 -12.559 32.235 1.00 0.00 N ATOM 1342 CA ALA B 33 94.720 -13.446 33.429 1.00 0.00 C ATOM 1343 C ALA B 33 93.465 -13.230 34.271 1.00 0.00 C ATOM 1344 O ALA B 33 92.798 -14.166 34.663 1.00 0.00 O ATOM 1345 CB ALA B 33 95.965 -13.106 34.251 1.00 0.00 C ATOM 0 H ALA B 33 95.428 -11.894 32.143 1.00 0.00 H new ATOM 0 HA ALA B 33 94.773 -14.489 33.117 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.011 -13.754 35.126 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.856 -13.256 33.641 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.916 -12.066 34.572 1.00 0.00 H new ATOM 1351 N LYS B 34 93.126 -12.005 34.531 1.00 0.00 N ATOM 1352 CA LYS B 34 91.900 -11.724 35.321 1.00 0.00 C ATOM 1353 C LYS B 34 90.676 -12.297 34.598 1.00 0.00 C ATOM 1354 O LYS B 34 89.774 -12.832 35.212 1.00 0.00 O ATOM 1355 CB LYS B 34 91.747 -10.213 35.483 1.00 0.00 C ATOM 1356 CG LYS B 34 92.821 -9.696 36.440 1.00 0.00 C ATOM 1357 CD LYS B 34 92.676 -8.182 36.607 1.00 0.00 C ATOM 1358 CE LYS B 34 93.724 -7.675 37.601 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.313 -8.054 38.982 1.00 0.00 N ATOM 0 H LYS B 34 93.646 -11.181 34.230 1.00 0.00 H new ATOM 0 HA LYS B 34 91.980 -12.190 36.303 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.839 -9.721 34.515 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.755 -9.976 35.868 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.728 -10.189 37.408 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.812 -9.936 36.054 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.802 -7.686 35.645 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.675 -7.939 36.962 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.700 -8.102 37.369 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.823 -6.592 37.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.891 -7.533 39.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.310 -7.818 39.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.451 -9.076 39.117 1.00 0.00 H new ATOM 1373 N GLU B 35 90.631 -12.175 33.298 1.00 0.00 N ATOM 1374 CA GLU B 35 89.456 -12.696 32.541 1.00 0.00 C ATOM 1375 C GLU B 35 89.357 -14.213 32.696 1.00 0.00 C ATOM 1376 O GLU B 35 88.280 -14.757 32.845 1.00 0.00 O ATOM 1377 CB GLU B 35 89.609 -12.356 31.058 1.00 0.00 C ATOM 1378 CG GLU B 35 88.299 -12.659 30.318 1.00 0.00 C ATOM 1379 CD GLU B 35 88.165 -14.167 30.078 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.179 -14.843 30.065 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.043 -14.620 29.909 1.00 0.00 O ATOM 0 H GLU B 35 91.356 -11.738 32.729 1.00 0.00 H new ATOM 0 HA GLU B 35 88.552 -12.233 32.937 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.868 -11.304 30.942 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.425 -12.935 30.625 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.451 -12.299 30.901 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.279 -12.128 29.366 1.00 0.00 H new ATOM 1388 N ILE B 36 90.460 -14.910 32.669 1.00 0.00 N ATOM 1389 CA ILE B 36 90.389 -16.388 32.823 1.00 0.00 C ATOM 1390 C ILE B 36 89.769 -16.687 34.187 1.00 0.00 C ATOM 1391 O ILE B 36 88.927 -17.552 34.328 1.00 0.00 O ATOM 1392 CB ILE B 36 91.795 -16.988 32.730 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.355 -16.751 31.324 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.726 -18.491 32.995 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.840 -17.120 31.296 1.00 0.00 C ATOM 0 H ILE B 36 91.397 -14.524 32.548 1.00 0.00 H new ATOM 0 HA ILE B 36 89.781 -16.829 32.033 1.00 0.00 H new ATOM 0 HB ILE B 36 92.441 -16.515 33.469 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.807 -17.350 30.597 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.224 -15.707 31.040 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.727 -18.918 32.929 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.322 -18.667 33.992 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.081 -18.962 32.254 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.238 -16.951 30.295 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.382 -16.502 32.011 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.959 -18.170 31.561 1.00 0.00 H new ATOM 1407 N VAL B 37 90.159 -15.944 35.185 1.00 0.00 N ATOM 1408 CA VAL B 37 89.579 -16.130 36.543 1.00 0.00 C ATOM 1409 C VAL B 37 88.110 -15.705 36.483 1.00 0.00 C ATOM 1410 O VAL B 37 87.242 -16.325 37.065 1.00 0.00 O ATOM 1411 CB VAL B 37 90.348 -15.234 37.525 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.807 -15.401 38.949 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.832 -15.618 37.501 1.00 0.00 C ATOM 0 H VAL B 37 90.862 -15.208 35.116 1.00 0.00 H new ATOM 0 HA VAL B 37 89.652 -17.167 36.871 1.00 0.00 H new ATOM 0 HB VAL B 37 90.222 -14.194 37.223 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.366 -14.757 39.628 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.753 -15.125 38.972 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.917 -16.440 39.261 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.383 -14.985 38.197 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.943 -16.662 37.795 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.227 -15.481 36.494 1.00 0.00 H new ATOM 1423 N ALA B 38 87.837 -14.644 35.772 1.00 0.00 N ATOM 1424 CA ALA B 38 86.436 -14.150 35.650 1.00 0.00 C ATOM 1425 C ALA B 38 85.560 -15.219 34.986 1.00 0.00 C ATOM 1426 O ALA B 38 84.349 -15.184 35.082 1.00 0.00 O ATOM 1427 CB ALA B 38 86.419 -12.877 34.801 1.00 0.00 C ATOM 0 H ALA B 38 88.531 -14.094 35.266 1.00 0.00 H new ATOM 0 HA ALA B 38 86.044 -13.934 36.644 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.395 -12.514 34.710 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.034 -12.114 35.278 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.816 -13.096 33.810 1.00 0.00 H new ATOM 1433 N SER B 39 86.156 -16.163 34.303 1.00 0.00 N ATOM 1434 CA SER B 39 85.344 -17.223 33.628 1.00 0.00 C ATOM 1435 C SER B 39 85.195 -18.420 34.565 1.00 0.00 C ATOM 1436 O SER B 39 84.156 -19.048 34.622 1.00 0.00 O ATOM 1437 CB SER B 39 86.053 -17.670 32.347 1.00 0.00 C ATOM 1438 OG SER B 39 86.150 -16.568 31.454 1.00 0.00 O ATOM 0 H SER B 39 87.165 -16.247 34.183 1.00 0.00 H new ATOM 0 HA SER B 39 84.360 -16.825 33.381 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.047 -18.051 32.582 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.502 -18.485 31.878 1.00 0.00 H new ATOM 0 HG SER B 39 86.880 -15.979 31.739 1.00 0.00 H new ATOM 1444 N CYS B 40 86.215 -18.735 35.309 1.00 0.00 N ATOM 1445 CA CYS B 40 86.112 -19.881 36.252 1.00 0.00 C ATOM 1446 C CYS B 40 84.986 -19.602 37.248 1.00 0.00 C ATOM 1447 O CYS B 40 84.918 -18.540 37.833 1.00 0.00 O ATOM 1448 CB CYS B 40 87.434 -20.050 37.001 1.00 0.00 C ATOM 1449 SG CYS B 40 87.412 -21.609 37.919 1.00 0.00 S ATOM 0 H CYS B 40 87.113 -18.251 35.306 1.00 0.00 H new ATOM 0 HA CYS B 40 85.897 -20.796 35.700 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.267 -20.042 36.297 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.586 -19.215 37.685 1.00 0.00 H new ATOM 1454 N ASP B 41 84.103 -20.539 37.449 1.00 0.00 N ATOM 1455 CA ASP B 41 82.985 -20.311 38.409 1.00 0.00 C ATOM 1456 C ASP B 41 83.489 -20.481 39.844 1.00 0.00 C ATOM 1457 O ASP B 41 82.940 -19.924 40.775 1.00 0.00 O ATOM 1458 CB ASP B 41 81.871 -21.326 38.144 1.00 0.00 C ATOM 1459 CG ASP B 41 81.178 -20.998 36.821 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.278 -19.862 36.388 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.557 -21.887 36.263 1.00 0.00 O ATOM 0 H ASP B 41 84.106 -21.451 36.992 1.00 0.00 H new ATOM 0 HA ASP B 41 82.602 -19.299 38.277 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.285 -22.334 38.109 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.147 -21.307 38.959 1.00 0.00 H new ATOM 1466 N LYS B 42 84.521 -21.255 40.035 1.00 0.00 N ATOM 1467 CA LYS B 42 85.043 -21.470 41.414 1.00 0.00 C ATOM 1468 C LYS B 42 85.767 -20.216 41.907 1.00 0.00 C ATOM 1469 O LYS B 42 85.611 -19.805 43.040 1.00 0.00 O ATOM 1470 CB LYS B 42 86.025 -22.641 41.396 1.00 0.00 C ATOM 1471 CG LYS B 42 85.280 -23.929 41.042 1.00 0.00 C ATOM 1472 CD LYS B 42 86.268 -25.096 41.027 1.00 0.00 C ATOM 1473 CE LYS B 42 85.535 -26.388 40.666 1.00 0.00 C ATOM 1474 NZ LYS B 42 86.532 -27.425 40.278 1.00 0.00 N ATOM 0 H LYS B 42 85.025 -21.747 39.297 1.00 0.00 H new ATOM 0 HA LYS B 42 84.210 -21.685 42.083 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.816 -22.455 40.669 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.504 -22.742 42.370 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.489 -24.116 41.768 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.801 -23.830 40.068 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.062 -24.903 40.306 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.742 -25.196 42.003 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.944 -26.734 41.514 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.840 -26.209 39.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.053 -28.193 39.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.256 -26.998 39.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.984 -27.809 41.132 1.00 0.00 H new ATOM 1488 N CYS B 43 86.564 -19.604 41.073 1.00 0.00 N ATOM 1489 CA CYS B 43 87.301 -18.381 41.507 1.00 0.00 C ATOM 1490 C CYS B 43 86.414 -17.142 41.343 1.00 0.00 C ATOM 1491 O CYS B 43 86.803 -16.046 41.691 1.00 0.00 O ATOM 1492 CB CYS B 43 88.572 -18.219 40.677 1.00 0.00 C ATOM 1493 SG CYS B 43 89.567 -19.728 40.793 1.00 0.00 S ATOM 0 H CYS B 43 86.737 -19.897 40.111 1.00 0.00 H new ATOM 0 HA CYS B 43 87.569 -18.487 42.558 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.316 -18.019 39.637 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.146 -17.364 41.035 1.00 0.00 H new ATOM 1498 N GLN B 44 85.232 -17.299 40.811 1.00 0.00 N ATOM 1499 CA GLN B 44 84.344 -16.115 40.625 1.00 0.00 C ATOM 1500 C GLN B 44 83.852 -15.614 41.987 1.00 0.00 C ATOM 1501 O GLN B 44 84.098 -14.489 42.372 1.00 0.00 O ATOM 1502 CB GLN B 44 83.133 -16.529 39.780 1.00 0.00 C ATOM 1503 CG GLN B 44 82.295 -15.297 39.421 1.00 0.00 C ATOM 1504 CD GLN B 44 83.018 -14.486 38.346 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.027 -13.183 38.429 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.580 -15.041 37.424 1.00 0.00 N flip ATOM 0 H GLN B 44 84.845 -18.189 40.499 1.00 0.00 H new ATOM 0 HA GLN B 44 84.900 -15.321 40.126 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.468 -17.028 38.871 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.523 -17.245 40.331 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.313 -15.604 39.061 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.133 -14.683 40.307 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.572 -16.059 37.360 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.060 -14.489 36.713 1.00 0.00 H new ATOM 1515 N LEU B 45 83.162 -16.445 42.719 1.00 0.00 N ATOM 1516 CA LEU B 45 82.653 -16.022 44.059 1.00 0.00 C ATOM 1517 C LEU B 45 83.721 -16.310 45.114 1.00 0.00 C ATOM 1518 O LEU B 45 84.442 -17.284 45.026 1.00 0.00 O ATOM 1519 CB LEU B 45 81.388 -16.815 44.401 1.00 0.00 C ATOM 1520 CG LEU B 45 80.310 -16.593 43.332 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.096 -17.463 43.668 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.887 -15.112 43.299 1.00 0.00 C ATOM 0 H LEU B 45 82.927 -17.400 42.449 1.00 0.00 H new ATOM 0 HA LEU B 45 82.423 -14.957 44.041 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.625 -17.877 44.472 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.011 -16.507 45.376 1.00 0.00 H new ATOM 0 HG LEU B 45 80.709 -16.864 42.354 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.322 -17.314 42.915 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.392 -18.512 43.681 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.708 -17.183 44.647 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.122 -14.969 42.536 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.487 -14.826 44.272 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.752 -14.492 43.066 1.00 0.00 H new ATOM 1534 N LYS B 46 83.828 -15.480 46.114 1.00 0.00 N ATOM 1535 CA LYS B 46 84.850 -15.726 47.172 1.00 0.00 C ATOM 1536 C LYS B 46 84.319 -16.777 48.151 1.00 0.00 C ATOM 1537 O LYS B 46 85.039 -17.278 48.992 1.00 0.00 O ATOM 1538 CB LYS B 46 85.131 -14.422 47.920 1.00 0.00 C ATOM 1539 CG LYS B 46 85.686 -13.386 46.941 1.00 0.00 C ATOM 1540 CD LYS B 46 85.969 -12.081 47.686 1.00 0.00 C ATOM 1541 CE LYS B 46 86.523 -11.044 46.708 1.00 0.00 C ATOM 1542 NZ LYS B 46 86.833 -9.786 47.444 1.00 0.00 N ATOM 0 H LYS B 46 83.256 -14.646 46.245 1.00 0.00 H new ATOM 0 HA LYS B 46 85.772 -16.086 46.716 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.216 -14.050 48.381 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.845 -14.598 48.725 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.600 -13.759 46.479 1.00 0.00 H new ATOM 0 HG3 LYS B 46 84.971 -13.211 46.137 1.00 0.00 H new ATOM 0 HD2 LYS B 46 85.055 -11.708 48.148 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.684 -12.257 48.490 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.422 -11.427 46.225 1.00 0.00 H new ATOM 0 HE3 LYS B 46 85.797 -10.847 45.919 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 87.210 -9.079 46.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 85.965 -9.419 47.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 87.540 -9.980 48.181 1.00 0.00 H new ATOM 1556 N GLY B 47 83.062 -17.116 48.042 1.00 0.00 N ATOM 1557 CA GLY B 47 82.471 -18.138 48.956 1.00 0.00 C ATOM 1558 C GLY B 47 81.948 -17.457 50.223 1.00 0.00 C ATOM 1559 O GLY B 47 81.186 -18.029 50.978 1.00 0.00 O ATOM 0 H GLY B 47 82.415 -16.727 47.356 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.660 -18.664 48.453 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.221 -18.884 49.216 1.00 0.00 H new ATOM 1563 N GLU B 48 82.345 -16.237 50.459 1.00 0.00 N ATOM 1564 CA GLU B 48 81.865 -15.519 51.674 1.00 0.00 C ATOM 1565 C GLU B 48 80.457 -14.982 51.413 1.00 0.00 C ATOM 1566 O GLU B 48 79.623 -14.953 52.294 1.00 0.00 O ATOM 1567 CB GLU B 48 82.814 -14.360 51.987 1.00 0.00 C ATOM 1568 CG GLU B 48 82.341 -13.626 53.243 1.00 0.00 C ATOM 1569 CD GLU B 48 83.330 -12.512 53.581 1.00 0.00 C ATOM 1570 OE1 GLU B 48 84.385 -12.479 52.969 1.00 0.00 O ATOM 1571 OE2 GLU B 48 83.017 -11.710 54.444 1.00 0.00 O ATOM 0 H GLU B 48 82.981 -15.706 49.864 1.00 0.00 H new ATOM 0 HA GLU B 48 81.842 -16.201 52.524 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.826 -14.737 52.135 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.850 -13.670 51.144 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.347 -13.209 53.081 1.00 0.00 H new ATOM 0 HG3 GLU B 48 82.262 -14.323 54.077 1.00 0.00 H new ATOM 1578 N ALA B 49 80.203 -14.565 50.197 1.00 0.00 N ATOM 1579 CA ALA B 49 78.862 -14.017 49.813 1.00 0.00 C ATOM 1580 C ALA B 49 78.190 -13.294 50.991 1.00 0.00 C ATOM 1581 O ALA B 49 78.462 -12.142 51.262 1.00 0.00 O ATOM 1582 CB ALA B 49 77.969 -15.171 49.354 1.00 0.00 C ATOM 0 H ALA B 49 80.883 -14.581 49.437 1.00 0.00 H new ATOM 0 HA ALA B 49 79.002 -13.294 49.009 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.990 -14.784 49.072 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.425 -15.665 48.496 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.855 -15.888 50.167 1.00 0.00 H new ATOM 1588 N MET B 50 77.301 -13.959 51.676 1.00 0.00 N ATOM 1589 CA MET B 50 76.594 -13.313 52.820 1.00 0.00 C ATOM 1590 C MET B 50 77.482 -13.314 54.071 1.00 0.00 C ATOM 1591 O MET B 50 78.036 -14.326 54.449 1.00 0.00 O ATOM 1592 CB MET B 50 75.306 -14.091 53.102 1.00 0.00 C ATOM 1593 CG MET B 50 74.441 -13.315 54.095 1.00 0.00 C ATOM 1594 SD MET B 50 72.901 -14.222 54.379 1.00 0.00 S ATOM 1595 CE MET B 50 72.200 -13.107 55.619 1.00 0.00 C ATOM 0 H MET B 50 77.032 -14.926 51.493 1.00 0.00 H new ATOM 0 HA MET B 50 76.362 -12.279 52.564 1.00 0.00 H new ATOM 0 HB2 MET B 50 74.756 -14.251 52.174 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.545 -15.075 53.505 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.977 -13.181 55.035 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.225 -12.320 53.707 1.00 0.00 H new ATOM 0 HE1 MET B 50 71.229 -13.484 55.940 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.869 -13.051 56.478 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.079 -12.113 55.188 1.00 0.00 H new ATOM 1605 N HIS B 51 77.610 -12.186 54.723 1.00 0.00 N ATOM 1606 CA HIS B 51 78.449 -12.124 55.956 1.00 0.00 C ATOM 1607 C HIS B 51 77.644 -12.641 57.151 1.00 0.00 C ATOM 1608 O HIS B 51 78.181 -13.254 58.053 1.00 0.00 O ATOM 1609 CB HIS B 51 78.862 -10.675 56.227 1.00 0.00 C ATOM 1610 CG HIS B 51 79.859 -10.227 55.196 1.00 0.00 C ATOM 1611 ND1 HIS B 51 79.493 -9.936 53.890 1.00 0.00 N ATOM 1612 CD2 HIS B 51 81.212 -9.998 55.268 1.00 0.00 C ATOM 1613 CE1 HIS B 51 80.605 -9.552 53.234 1.00 0.00 C ATOM 1614 NE2 HIS B 51 81.675 -9.573 54.030 1.00 0.00 N ATOM 0 H HIS B 51 77.170 -11.306 54.454 1.00 0.00 H new ATOM 0 HA HIS B 51 79.337 -12.740 55.813 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.986 -10.027 56.204 1.00 0.00 H new ATOM 0 HB3 HIS B 51 79.294 -10.591 57.224 1.00 0.00 H new ATOM 0 HD2 HIS B 51 81.821 -10.128 56.151 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.627 -9.263 52.194 1.00 0.00 H new ATOM 0 HE2 HIS B 51 82.633 -9.328 53.781 1.00 0.00 H new ATOM 1623 N GLY B 52 76.357 -12.390 57.161 1.00 0.00 N ATOM 1624 CA GLY B 52 75.488 -12.853 58.293 1.00 0.00 C ATOM 1625 C GLY B 52 74.806 -11.643 58.939 1.00 0.00 C ATOM 1626 O GLY B 52 75.009 -10.515 58.536 1.00 0.00 O ATOM 0 H GLY B 52 75.866 -11.880 56.427 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.738 -13.554 57.927 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.087 -13.384 59.032 1.00 0.00 H new ATOM 1630 N GLN B 53 73.993 -11.869 59.938 1.00 0.00 N ATOM 1631 CA GLN B 53 73.292 -10.732 60.608 1.00 0.00 C ATOM 1632 C GLN B 53 74.230 -10.064 61.618 1.00 0.00 C ATOM 1633 O GLN B 53 74.910 -10.722 62.381 1.00 0.00 O ATOM 1634 CB GLN B 53 72.047 -11.259 61.332 1.00 0.00 C ATOM 1635 CG GLN B 53 71.247 -10.092 61.924 1.00 0.00 C ATOM 1636 CD GLN B 53 70.699 -9.216 60.795 1.00 0.00 C ATOM 1637 OE1 GLN B 53 71.341 -8.275 60.373 1.00 0.00 O ATOM 1638 NE2 GLN B 53 69.533 -9.491 60.282 1.00 0.00 N ATOM 0 H GLN B 53 73.784 -12.792 60.319 1.00 0.00 H new ATOM 0 HA GLN B 53 72.996 -9.998 59.858 1.00 0.00 H new ATOM 0 HB2 GLN B 53 71.424 -11.822 60.637 1.00 0.00 H new ATOM 0 HB3 GLN B 53 72.342 -11.947 62.124 1.00 0.00 H new ATOM 0 HG2 GLN B 53 70.427 -10.473 62.533 1.00 0.00 H new ATOM 0 HG3 GLN B 53 71.883 -9.499 62.581 1.00 0.00 H new ATOM 0 HE21 GLN B 53 68.994 -10.281 60.636 1.00 0.00 H new ATOM 0 HE22 GLN B 53 69.160 -8.916 59.526 1.00 0.00 H new ATOM 1647 N VAL B 54 74.269 -8.757 61.625 1.00 0.00 N ATOM 1648 CA VAL B 54 75.157 -8.029 62.582 1.00 0.00 C ATOM 1649 C VAL B 54 74.401 -7.751 63.882 1.00 0.00 C ATOM 1650 O VAL B 54 74.643 -8.368 64.900 1.00 0.00 O ATOM 1651 CB VAL B 54 75.589 -6.701 61.958 1.00 0.00 C ATOM 1652 CG1 VAL B 54 76.611 -6.019 62.869 1.00 0.00 C ATOM 1653 CG2 VAL B 54 76.223 -6.964 60.591 1.00 0.00 C ATOM 0 H VAL B 54 73.721 -8.159 61.006 1.00 0.00 H new ATOM 0 HA VAL B 54 76.033 -8.641 62.797 1.00 0.00 H new ATOM 0 HB VAL B 54 74.719 -6.055 61.839 1.00 0.00 H new ATOM 0 HG11 VAL B 54 76.920 -5.072 62.425 1.00 0.00 H new ATOM 0 HG12 VAL B 54 76.162 -5.833 63.845 1.00 0.00 H new ATOM 0 HG13 VAL B 54 77.481 -6.665 62.987 1.00 0.00 H new ATOM 0 HG21 VAL B 54 76.531 -6.018 60.145 1.00 0.00 H new ATOM 0 HG22 VAL B 54 77.093 -7.609 60.712 1.00 0.00 H new ATOM 0 HG23 VAL B 54 75.497 -7.452 59.941 1.00 0.00 H new ATOM 1663 N ASP B 55 73.492 -6.813 63.857 1.00 0.00 N ATOM 1664 CA ASP B 55 72.720 -6.476 65.090 1.00 0.00 C ATOM 1665 C ASP B 55 71.319 -5.999 64.698 1.00 0.00 C ATOM 1666 O ASP B 55 70.840 -6.422 63.659 1.00 0.00 O ATOM 1667 CB ASP B 55 73.443 -5.359 65.846 1.00 0.00 C ATOM 1668 CG ASP B 55 73.509 -4.109 64.966 1.00 0.00 C ATOM 1669 OD1 ASP B 55 73.280 -4.234 63.774 1.00 0.00 O ATOM 1670 OD2 ASP B 55 73.787 -3.047 65.500 1.00 0.00 O ATOM 1671 OXT ASP B 55 70.748 -5.220 65.444 1.00 0.00 O ATOM 0 H ASP B 55 73.250 -6.263 63.033 1.00 0.00 H new ATOM 0 HA ASP B 55 72.640 -7.358 65.725 1.00 0.00 H new ATOM 0 HB2 ASP B 55 72.919 -5.136 66.775 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.449 -5.680 66.117 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.850 -1.990 35.968 1.00 0.00 CD HETATM 1678 CD CD B 56 89.811 -21.353 38.764 1.00 0.00 CD