USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 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 :FLIP amide:sc= -3.55! C(o=-7.9!,f=-7.8!) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -4.23! C(o=-8.7!,f=-7.8!) USER MOD Single : A 1 PHE N :NH3+ 154:sc= 0.892 (180deg=0.295) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.178 (180deg=-0.728) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0568 (180deg=-0.521) USER MOD Single : A 15 TYR OH : rot -7:sc= 0.925 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -2.26 F(o=-4.2!,f=-2.3) USER MOD Single : A 17 SER OG : rot -12:sc= 0.783 USER MOD Single : A 18 ASN : amide:sc= -0.0536 K(o=-0.054,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.255 (180deg=-1.61) USER MOD Single : A 24 SER OG : rot 78:sc= 0.00784 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.106 F(o=-1,f=-0.11) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 119:sc= 0.74 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.137 (180deg=-0.745) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0075 X(o=-0.0075,f=-0.13) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.93 (180deg=0.299) USER MOD Single : B 7 LYS NZ :NH3+ -154:sc= -0.135 (180deg=-0.785) USER MOD Single : B 9 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -161:sc= -0.0553 (180deg=-0.539) USER MOD Single : B 15 TYR OH : rot -7:sc= 0.928 USER MOD Single : B 16 HIS :FLIP no HD1:sc= -2.37 F(o=-4.4!,f=-2.4) USER MOD Single : B 17 SER OG : rot -5:sc= 0.962 USER MOD Single : B 18 ASN : amide:sc= -0.0123 K(o=-0.012,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 158:sc= -0.236 (180deg=-1.49) USER MOD Single : B 24 SER OG : rot 76:sc= 0.00773 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.105 F(o=-1.1,f=-0.1) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 121:sc= 0.794 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -157:sc= -0.139 (180deg=-0.869) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc=-0.00885 X(o=-0.0089,f=-0.12) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.435 -5.205 23.520 1.00 0.00 N ATOM 2 CA PHE A 1 95.072 -4.509 24.788 1.00 0.00 C ATOM 3 C PHE A 1 95.226 -3.002 24.590 1.00 0.00 C ATOM 4 O PHE A 1 96.319 -2.494 24.442 1.00 0.00 O ATOM 5 CB PHE A 1 95.995 -4.989 25.907 1.00 0.00 C ATOM 6 CG PHE A 1 96.067 -6.499 25.869 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.944 -7.258 26.217 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.250 -7.140 25.474 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.003 -8.656 26.174 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.307 -8.538 25.430 1.00 0.00 C ATOM 11 CZ PHE A 1 96.184 -9.296 25.780 1.00 0.00 C ATOM 0 H1 PHE A 1 95.760 -6.169 23.734 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.602 -5.251 22.898 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.196 -4.681 23.042 1.00 0.00 H new ATOM 0 HA PHE A 1 94.040 -4.733 25.057 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.990 -4.561 25.785 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.621 -4.654 26.874 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.032 -6.765 26.519 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.117 -6.555 25.204 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.137 -9.241 26.445 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.218 -9.032 25.126 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.228 -10.375 25.746 1.00 0.00 H new ATOM 23 N LEU A 2 94.131 -2.285 24.561 1.00 0.00 N ATOM 24 CA LEU A 2 94.199 -0.808 24.341 1.00 0.00 C ATOM 25 C LEU A 2 94.108 -0.050 25.660 1.00 0.00 C ATOM 26 O LEU A 2 93.302 -0.347 26.510 1.00 0.00 O ATOM 27 CB LEU A 2 93.041 -0.379 23.434 1.00 0.00 C ATOM 28 CG LEU A 2 93.056 -1.196 22.134 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.891 -0.751 21.245 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.380 -0.974 21.385 1.00 0.00 C ATOM 0 H LEU A 2 93.190 -2.660 24.681 1.00 0.00 H new ATOM 0 HA LEU A 2 95.155 -0.574 23.874 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.092 -0.522 23.951 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.123 0.684 23.205 1.00 0.00 H new ATOM 0 HG LEU A 2 92.957 -2.254 22.376 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.898 -1.328 20.321 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.950 -0.916 21.769 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.995 0.309 21.012 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.380 -1.558 20.465 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.489 0.083 21.144 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.212 -1.290 22.015 1.00 0.00 H new ATOM 42 N ASP A 3 94.925 0.952 25.813 1.00 0.00 N ATOM 43 CA ASP A 3 94.885 1.767 27.054 1.00 0.00 C ATOM 44 C ASP A 3 93.499 2.394 27.162 1.00 0.00 C ATOM 45 O ASP A 3 92.923 2.481 28.229 1.00 0.00 O ATOM 46 CB ASP A 3 95.946 2.867 26.987 1.00 0.00 C ATOM 47 CG ASP A 3 97.337 2.241 27.095 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.432 1.143 27.616 1.00 0.00 O ATOM 49 OD2 ASP A 3 98.283 2.869 26.650 1.00 0.00 O ATOM 0 H ASP A 3 95.622 1.242 25.127 1.00 0.00 H new ATOM 0 HA ASP A 3 95.088 1.142 27.924 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.855 3.418 26.051 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.794 3.583 27.795 1.00 0.00 H new ATOM 54 N GLY A 4 92.952 2.822 26.053 1.00 0.00 N ATOM 55 CA GLY A 4 91.591 3.434 26.070 1.00 0.00 C ATOM 56 C GLY A 4 90.645 2.532 26.865 1.00 0.00 C ATOM 57 O GLY A 4 89.549 2.919 27.218 1.00 0.00 O ATOM 0 H GLY A 4 93.392 2.773 25.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.631 4.426 26.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.223 3.560 25.052 1.00 0.00 H new ATOM 61 N ILE A 5 91.075 1.338 27.169 1.00 0.00 N ATOM 62 CA ILE A 5 90.225 0.415 27.961 1.00 0.00 C ATOM 63 C ILE A 5 89.925 1.076 29.311 1.00 0.00 C ATOM 64 O ILE A 5 88.865 0.897 29.878 1.00 0.00 O ATOM 65 CB ILE A 5 90.971 -0.917 28.156 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.900 -1.738 26.866 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.338 -1.720 29.299 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.887 -2.907 26.955 1.00 0.00 C ATOM 0 H ILE A 5 91.985 0.963 26.899 1.00 0.00 H new ATOM 0 HA ILE A 5 89.287 0.211 27.445 1.00 0.00 H new ATOM 0 HB ILE A 5 92.011 -0.703 28.403 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.888 -2.113 26.715 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.139 -1.110 26.008 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.876 -2.659 29.425 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.393 -1.144 30.222 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.295 -1.928 29.063 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.839 -3.494 26.038 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.898 -2.521 27.086 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.627 -3.539 27.804 1.00 0.00 H new ATOM 80 N ASP A 6 90.844 1.850 29.824 1.00 0.00 N ATOM 81 CA ASP A 6 90.599 2.534 31.127 1.00 0.00 C ATOM 82 C ASP A 6 89.373 3.440 30.995 1.00 0.00 C ATOM 83 O ASP A 6 88.551 3.523 31.887 1.00 0.00 O ATOM 84 CB ASP A 6 91.824 3.369 31.516 1.00 0.00 C ATOM 85 CG ASP A 6 92.979 2.439 31.892 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.712 1.291 32.205 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.111 2.891 31.860 1.00 0.00 O ATOM 0 H ASP A 6 91.752 2.038 29.398 1.00 0.00 H new ATOM 0 HA ASP A 6 90.421 1.789 31.902 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.117 4.012 30.686 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.581 4.021 32.355 1.00 0.00 H new ATOM 92 N LYS A 7 89.235 4.111 29.885 1.00 0.00 N ATOM 93 CA LYS A 7 88.053 5.002 29.692 1.00 0.00 C ATOM 94 C LYS A 7 86.785 4.152 29.769 1.00 0.00 C ATOM 95 O LYS A 7 85.783 4.556 30.322 1.00 0.00 O ATOM 96 CB LYS A 7 88.132 5.685 28.320 1.00 0.00 C ATOM 97 CG LYS A 7 86.935 6.638 28.151 1.00 0.00 C ATOM 98 CD LYS A 7 87.004 7.359 26.793 1.00 0.00 C ATOM 99 CE LYS A 7 87.913 8.594 26.884 1.00 0.00 C ATOM 100 NZ LYS A 7 87.308 9.597 27.809 1.00 0.00 N ATOM 0 H LYS A 7 89.889 4.082 29.103 1.00 0.00 H new ATOM 0 HA LYS A 7 88.038 5.769 30.466 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.067 6.239 28.231 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.129 4.936 27.528 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.003 6.077 28.224 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.930 7.371 28.958 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.383 6.677 26.032 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.003 7.659 26.483 1.00 0.00 H new ATOM 0 HE2 LYS A 7 88.901 8.305 27.242 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.048 9.032 25.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.613 10.552 27.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.271 9.536 27.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.618 9.403 28.783 1.00 0.00 H new ATOM 114 N ALA A 8 86.826 2.976 29.207 1.00 0.00 N ATOM 115 CA ALA A 8 85.632 2.087 29.231 1.00 0.00 C ATOM 116 C ALA A 8 85.229 1.793 30.679 1.00 0.00 C ATOM 117 O ALA A 8 84.060 1.728 31.001 1.00 0.00 O ATOM 118 CB ALA A 8 85.967 0.775 28.517 1.00 0.00 C ATOM 0 H ALA A 8 87.641 2.591 28.729 1.00 0.00 H new ATOM 0 HA ALA A 8 84.803 2.581 28.725 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.096 0.120 28.532 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.247 0.984 27.484 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.797 0.286 29.026 1.00 0.00 H new ATOM 124 N GLN A 9 86.177 1.615 31.560 1.00 0.00 N ATOM 125 CA GLN A 9 85.814 1.328 32.976 1.00 0.00 C ATOM 126 C GLN A 9 84.994 2.494 33.526 1.00 0.00 C ATOM 127 O GLN A 9 84.024 2.310 34.236 1.00 0.00 O ATOM 128 CB GLN A 9 87.085 1.175 33.820 1.00 0.00 C ATOM 129 CG GLN A 9 87.805 -0.121 33.443 1.00 0.00 C ATOM 130 CD GLN A 9 89.051 -0.283 34.315 1.00 0.00 C ATOM 131 OE1 GLN A 9 90.025 0.579 34.212 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 89.136 -1.202 35.105 1.00 0.00 N flip ATOM 0 H GLN A 9 87.177 1.655 31.363 1.00 0.00 H new ATOM 0 HA GLN A 9 85.236 0.405 33.019 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.744 2.028 33.659 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.830 1.165 34.880 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.139 -0.973 33.580 1.00 0.00 H new ATOM 0 HG3 GLN A 9 88.085 -0.101 32.390 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.375 -1.877 35.186 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.968 -1.299 35.687 1.00 0.00 H new ATOM 141 N GLU A 10 85.380 3.694 33.198 1.00 0.00 N ATOM 142 CA GLU A 10 84.638 4.888 33.688 1.00 0.00 C ATOM 143 C GLU A 10 83.196 4.863 33.173 1.00 0.00 C ATOM 144 O GLU A 10 82.270 5.221 33.873 1.00 0.00 O ATOM 145 CB GLU A 10 85.341 6.149 33.180 1.00 0.00 C ATOM 146 CG GLU A 10 84.646 7.394 33.736 1.00 0.00 C ATOM 147 CD GLU A 10 85.359 8.644 33.221 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.459 8.506 32.712 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.788 9.716 33.329 1.00 0.00 O ATOM 0 H GLU A 10 86.185 3.901 32.606 1.00 0.00 H new ATOM 0 HA GLU A 10 84.620 4.882 34.778 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.388 6.140 33.484 1.00 0.00 H new ATOM 0 HB3 GLU A 10 85.326 6.170 32.090 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.600 7.407 33.431 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.660 7.376 34.826 1.00 0.00 H new ATOM 156 N GLU A 11 83.003 4.468 31.942 1.00 0.00 N ATOM 157 CA GLU A 11 81.624 4.446 31.362 1.00 0.00 C ATOM 158 C GLU A 11 80.990 3.066 31.547 1.00 0.00 C ATOM 159 O GLU A 11 79.882 2.822 31.112 1.00 0.00 O ATOM 160 CB GLU A 11 81.702 4.767 29.869 1.00 0.00 C ATOM 161 CG GLU A 11 82.284 6.169 29.676 1.00 0.00 C ATOM 162 CD GLU A 11 81.301 7.211 30.215 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.129 6.890 30.326 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.738 8.312 30.508 1.00 0.00 O ATOM 0 H GLU A 11 83.742 4.159 31.310 1.00 0.00 H new ATOM 0 HA GLU A 11 81.012 5.188 31.875 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.324 4.031 29.360 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.710 4.709 29.422 1.00 0.00 H new ATOM 0 HG2 GLU A 11 83.239 6.252 30.195 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.479 6.351 28.619 1.00 0.00 H new ATOM 171 N CYS A 12 81.675 2.157 32.186 1.00 0.00 N ATOM 172 CA CYS A 12 81.093 0.797 32.391 1.00 0.00 C ATOM 173 C CYS A 12 79.663 0.931 32.919 1.00 0.00 C ATOM 174 O CYS A 12 78.776 0.195 32.534 1.00 0.00 O ATOM 175 CB CYS A 12 81.937 0.020 33.402 1.00 0.00 C ATOM 176 SG CYS A 12 81.296 -1.667 33.554 1.00 0.00 S ATOM 0 H CYS A 12 82.608 2.295 32.574 1.00 0.00 H new ATOM 0 HA CYS A 12 81.085 0.262 31.442 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.978 -0.003 33.081 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.913 0.518 34.371 1.00 0.00 H new ATOM 181 N GLU A 13 79.436 1.866 33.797 1.00 0.00 N ATOM 182 CA GLU A 13 78.067 2.056 34.352 1.00 0.00 C ATOM 183 C GLU A 13 77.103 2.373 33.207 1.00 0.00 C ATOM 184 O GLU A 13 75.980 1.913 33.182 1.00 0.00 O ATOM 185 CB GLU A 13 78.081 3.217 35.347 1.00 0.00 C ATOM 186 CG GLU A 13 78.857 2.807 36.601 1.00 0.00 C ATOM 187 CD GLU A 13 78.960 4.002 37.552 1.00 0.00 C ATOM 188 OE1 GLU A 13 78.428 5.047 37.218 1.00 0.00 O ATOM 189 OE2 GLU A 13 79.573 3.850 38.596 1.00 0.00 O ATOM 0 H GLU A 13 80.142 2.509 34.156 1.00 0.00 H new ATOM 0 HA GLU A 13 77.744 1.148 34.861 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.542 4.094 34.892 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.061 3.494 35.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.355 1.976 37.097 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.853 2.460 36.328 1.00 0.00 H new ATOM 196 N LYS A 14 77.536 3.159 32.260 1.00 0.00 N ATOM 197 CA LYS A 14 76.652 3.514 31.114 1.00 0.00 C ATOM 198 C LYS A 14 76.246 2.242 30.360 1.00 0.00 C ATOM 199 O LYS A 14 75.121 2.107 29.921 1.00 0.00 O ATOM 200 CB LYS A 14 77.401 4.454 30.163 1.00 0.00 C ATOM 201 CG LYS A 14 76.460 4.911 29.042 1.00 0.00 C ATOM 202 CD LYS A 14 77.210 5.848 28.094 1.00 0.00 C ATOM 203 CE LYS A 14 76.249 6.370 27.023 1.00 0.00 C ATOM 204 NZ LYS A 14 75.701 5.226 26.244 1.00 0.00 N ATOM 0 H LYS A 14 78.468 3.572 32.231 1.00 0.00 H new ATOM 0 HA LYS A 14 75.758 4.011 31.490 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.776 5.318 30.711 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.267 3.945 29.739 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.084 4.047 28.494 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.595 5.421 29.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.636 6.682 28.652 1.00 0.00 H new ATOM 0 HD3 LYS A 14 78.041 5.320 27.626 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.437 6.928 27.489 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.769 7.060 26.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.304 5.574 25.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.462 4.546 26.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.953 4.758 26.795 1.00 0.00 H new ATOM 218 N TYR A 15 77.152 1.316 30.193 1.00 0.00 N ATOM 219 CA TYR A 15 76.814 0.062 29.451 1.00 0.00 C ATOM 220 C TYR A 15 76.176 -0.950 30.403 1.00 0.00 C ATOM 221 O TYR A 15 75.557 -1.906 29.981 1.00 0.00 O ATOM 222 CB TYR A 15 78.089 -0.545 28.872 1.00 0.00 C ATOM 223 CG TYR A 15 78.646 0.365 27.807 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.177 0.269 26.492 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.633 1.302 28.134 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.695 1.112 25.503 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.152 2.144 27.143 1.00 0.00 C ATOM 228 CZ TYR A 15 79.683 2.049 25.828 1.00 0.00 C ATOM 229 OH TYR A 15 80.196 2.877 24.850 1.00 0.00 O ATOM 0 H TYR A 15 78.111 1.371 30.537 1.00 0.00 H new ATOM 0 HA TYR A 15 76.116 0.302 28.649 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.826 -0.690 29.662 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.877 -1.527 28.450 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.416 -0.455 26.241 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.994 1.375 29.149 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.332 1.040 24.488 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.914 2.867 27.393 1.00 0.00 H new ATOM 0 HH TYR A 15 79.844 2.608 23.976 1.00 0.00 H new ATOM 239 N HIS A 16 76.320 -0.749 31.682 1.00 0.00 N ATOM 240 CA HIS A 16 75.719 -1.699 32.659 1.00 0.00 C ATOM 241 C HIS A 16 76.295 -3.103 32.438 1.00 0.00 C ATOM 242 O HIS A 16 77.481 -3.278 32.243 1.00 0.00 O ATOM 243 CB HIS A 16 74.198 -1.732 32.470 1.00 0.00 C ATOM 244 CG HIS A 16 73.695 -0.338 32.216 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.626 0.774 33.019 1.00 0.00 N flip ATOM 246 CD2 HIS A 16 73.165 0.045 30.991 1.00 0.00 C flip ATOM 247 CE1 HIS A 16 73.065 1.827 32.306 1.00 0.00 C flip ATOM 248 NE2 HIS A 16 72.804 1.338 31.091 1.00 0.00 N flip ATOM 0 H HIS A 16 76.829 0.033 32.094 1.00 0.00 H new ATOM 0 HA HIS A 16 75.953 -1.371 33.672 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.939 -2.382 31.634 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.719 -2.147 33.357 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.061 -0.581 30.117 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.879 2.830 32.660 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.384 1.877 30.334 1.00 0.00 H new ATOM 257 N SER A 17 75.458 -4.106 32.481 1.00 0.00 N ATOM 258 CA SER A 17 75.938 -5.506 32.289 1.00 0.00 C ATOM 259 C SER A 17 75.970 -5.857 30.797 1.00 0.00 C ATOM 260 O SER A 17 76.356 -6.945 30.418 1.00 0.00 O ATOM 261 CB SER A 17 74.989 -6.464 33.008 1.00 0.00 C ATOM 262 OG SER A 17 75.308 -7.801 32.647 1.00 0.00 O ATOM 0 H SER A 17 74.455 -4.014 32.642 1.00 0.00 H new ATOM 0 HA SER A 17 76.945 -5.596 32.697 1.00 0.00 H new ATOM 0 HB2 SER A 17 75.074 -6.336 34.087 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.956 -6.240 32.741 1.00 0.00 H new ATOM 0 HG SER A 17 75.927 -7.796 31.887 1.00 0.00 H new ATOM 268 N ASN A 18 75.562 -4.956 29.946 1.00 0.00 N ATOM 269 CA ASN A 18 75.566 -5.261 28.485 1.00 0.00 C ATOM 270 C ASN A 18 76.974 -5.056 27.922 1.00 0.00 C ATOM 271 O ASN A 18 77.265 -4.048 27.309 1.00 0.00 O ATOM 272 CB ASN A 18 74.597 -4.319 27.770 1.00 0.00 C ATOM 273 CG ASN A 18 73.162 -4.666 28.164 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.889 -5.763 28.610 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.228 -3.769 28.018 1.00 0.00 N ATOM 0 H ASN A 18 75.227 -4.026 30.196 1.00 0.00 H new ATOM 0 HA ASN A 18 75.259 -6.295 28.330 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.818 -3.285 28.034 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.720 -4.405 26.690 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.266 -3.987 28.278 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.459 -2.849 27.644 1.00 0.00 H new ATOM 282 N TRP A 19 77.847 -6.002 28.123 1.00 0.00 N ATOM 283 CA TRP A 19 79.234 -5.859 27.595 1.00 0.00 C ATOM 284 C TRP A 19 79.221 -5.963 26.068 1.00 0.00 C ATOM 285 O TRP A 19 80.093 -5.452 25.394 1.00 0.00 O ATOM 286 CB TRP A 19 80.120 -6.964 28.175 1.00 0.00 C ATOM 287 CG TRP A 19 79.581 -8.304 27.788 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.700 -9.024 28.520 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.864 -9.095 26.596 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.432 -10.210 27.860 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.124 -10.299 26.669 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.685 -8.889 25.470 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.196 -11.264 25.662 1.00 0.00 C ATOM 294 CZ3 TRP A 19 80.757 -9.857 24.456 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.015 -11.043 24.553 1.00 0.00 C ATOM 0 H TRP A 19 77.662 -6.868 28.629 1.00 0.00 H new ATOM 0 HA TRP A 19 79.629 -4.886 27.886 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.141 -6.853 27.809 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.160 -6.878 29.261 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.275 -8.722 29.466 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.801 -10.930 28.211 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.263 -7.980 25.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.622 -12.175 25.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.388 -9.687 23.596 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.077 -11.785 23.771 1.00 0.00 H new ATOM 306 N ARG A 20 78.247 -6.633 25.521 1.00 0.00 N ATOM 307 CA ARG A 20 78.181 -6.784 24.041 1.00 0.00 C ATOM 308 C ARG A 20 78.082 -5.409 23.376 1.00 0.00 C ATOM 309 O ARG A 20 78.695 -5.158 22.358 1.00 0.00 O ATOM 310 CB ARG A 20 76.945 -7.611 23.686 1.00 0.00 C ATOM 311 CG ARG A 20 77.155 -9.060 24.129 1.00 0.00 C ATOM 312 CD ARG A 20 75.916 -9.889 23.781 1.00 0.00 C ATOM 313 NE ARG A 20 76.110 -11.294 24.235 1.00 0.00 N ATOM 314 CZ ARG A 20 75.083 -12.092 24.346 1.00 0.00 C ATOM 315 NH1 ARG A 20 73.885 -11.654 24.066 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.251 -13.325 24.739 1.00 0.00 N ATOM 0 H ARG A 20 77.491 -7.084 26.036 1.00 0.00 H new ATOM 0 HA ARG A 20 79.082 -7.283 23.685 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.064 -7.195 24.174 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.764 -7.571 22.612 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.034 -9.477 23.637 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.341 -9.099 25.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.034 -9.461 24.258 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.740 -9.865 22.706 1.00 0.00 H new ATOM 0 HE ARG A 20 77.046 -11.633 24.459 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.753 -10.690 23.761 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.081 -12.276 24.152 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.186 -13.667 24.960 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.447 -13.947 24.825 1.00 0.00 H new ATOM 330 N ALA A 21 77.313 -4.518 23.938 1.00 0.00 N ATOM 331 CA ALA A 21 77.179 -3.166 23.327 1.00 0.00 C ATOM 332 C ALA A 21 78.504 -2.407 23.453 1.00 0.00 C ATOM 333 O ALA A 21 78.951 -1.766 22.525 1.00 0.00 O ATOM 334 CB ALA A 21 76.067 -2.392 24.044 1.00 0.00 C ATOM 0 H ALA A 21 76.773 -4.667 24.791 1.00 0.00 H new ATOM 0 HA ALA A 21 76.927 -3.268 22.271 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.967 -1.402 23.599 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.125 -2.932 23.944 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.317 -2.291 25.100 1.00 0.00 H new ATOM 340 N MET A 22 79.136 -2.479 24.594 1.00 0.00 N ATOM 341 CA MET A 22 80.435 -1.766 24.777 1.00 0.00 C ATOM 342 C MET A 22 81.479 -2.343 23.820 1.00 0.00 C ATOM 343 O MET A 22 82.272 -1.626 23.243 1.00 0.00 O ATOM 344 CB MET A 22 80.909 -1.932 26.223 1.00 0.00 C ATOM 345 CG MET A 22 82.211 -1.156 26.427 1.00 0.00 C ATOM 346 SD MET A 22 82.595 -1.075 28.196 1.00 0.00 S ATOM 347 CE MET A 22 82.710 -2.855 28.492 1.00 0.00 C ATOM 0 H MET A 22 78.809 -3.000 25.408 1.00 0.00 H new ATOM 0 HA MET A 22 80.300 -0.706 24.561 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.145 -1.569 26.911 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.064 -2.987 26.447 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.025 -1.642 25.889 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.115 -0.150 26.018 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.319 -3.038 29.377 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.711 -3.263 28.648 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.169 -3.338 27.629 1.00 0.00 H new ATOM 357 N ALA A 23 81.489 -3.634 23.646 1.00 0.00 N ATOM 358 CA ALA A 23 82.488 -4.250 22.728 1.00 0.00 C ATOM 359 C ALA A 23 82.326 -3.661 21.323 1.00 0.00 C ATOM 360 O ALA A 23 83.292 -3.404 20.631 1.00 0.00 O ATOM 361 CB ALA A 23 82.260 -5.762 22.677 1.00 0.00 C ATOM 0 H ALA A 23 80.851 -4.289 24.098 1.00 0.00 H new ATOM 0 HA ALA A 23 83.494 -4.043 23.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.989 -6.217 22.006 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.375 -6.181 23.677 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.254 -5.966 22.312 1.00 0.00 H new ATOM 367 N SER A 24 81.111 -3.456 20.892 1.00 0.00 N ATOM 368 CA SER A 24 80.882 -2.897 19.528 1.00 0.00 C ATOM 369 C SER A 24 81.430 -1.469 19.427 1.00 0.00 C ATOM 370 O SER A 24 81.988 -1.084 18.419 1.00 0.00 O ATOM 371 CB SER A 24 79.382 -2.885 19.233 1.00 0.00 C ATOM 372 OG SER A 24 78.906 -4.223 19.170 1.00 0.00 O ATOM 0 H SER A 24 80.265 -3.652 21.427 1.00 0.00 H new ATOM 0 HA SER A 24 81.402 -3.522 18.802 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.851 -2.334 20.009 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.189 -2.373 18.290 1.00 0.00 H new ATOM 0 HG SER A 24 78.800 -4.576 20.078 1.00 0.00 H new ATOM 378 N ASP A 25 81.259 -0.674 20.448 1.00 0.00 N ATOM 379 CA ASP A 25 81.755 0.735 20.383 1.00 0.00 C ATOM 380 C ASP A 25 83.284 0.772 20.411 1.00 0.00 C ATOM 381 O ASP A 25 83.906 1.541 19.707 1.00 0.00 O ATOM 382 CB ASP A 25 81.217 1.513 21.582 1.00 0.00 C ATOM 383 CG ASP A 25 79.711 1.723 21.423 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.242 1.686 20.298 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.053 1.926 22.429 1.00 0.00 O ATOM 0 H ASP A 25 80.800 -0.935 21.321 1.00 0.00 H new ATOM 0 HA ASP A 25 81.408 1.184 19.452 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.423 0.969 22.504 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.722 2.476 21.660 1.00 0.00 H new ATOM 390 N PHE A 26 83.896 -0.056 21.210 1.00 0.00 N ATOM 391 CA PHE A 26 85.390 -0.069 21.274 1.00 0.00 C ATOM 392 C PHE A 26 85.921 -1.114 20.291 1.00 0.00 C ATOM 393 O PHE A 26 87.112 -1.271 20.118 1.00 0.00 O ATOM 394 CB PHE A 26 85.837 -0.417 22.699 1.00 0.00 C ATOM 395 CG PHE A 26 85.562 0.755 23.617 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.325 0.868 24.266 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.550 1.730 23.825 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.077 1.952 25.118 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.299 2.812 24.678 1.00 0.00 C ATOM 400 CZ PHE A 26 85.063 2.924 25.323 1.00 0.00 C ATOM 0 H PHE A 26 83.430 -0.725 21.822 1.00 0.00 H new ATOM 0 HA PHE A 26 85.783 0.913 21.008 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.306 -1.301 23.052 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.900 -0.658 22.709 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.563 0.119 24.109 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.505 1.646 23.327 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.123 2.038 25.618 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.061 3.561 24.838 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.870 3.760 25.979 1.00 0.00 H new ATOM 410 N ASN A 27 85.039 -1.816 19.631 1.00 0.00 N ATOM 411 CA ASN A 27 85.482 -2.841 18.641 1.00 0.00 C ATOM 412 C ASN A 27 86.494 -3.791 19.287 1.00 0.00 C ATOM 413 O ASN A 27 87.526 -4.084 18.716 1.00 0.00 O ATOM 414 CB ASN A 27 86.134 -2.142 17.445 1.00 0.00 C ATOM 415 CG ASN A 27 85.120 -1.204 16.788 1.00 0.00 C ATOM 416 OD1 ASN A 27 83.898 -1.619 16.593 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.440 -0.081 16.453 1.00 0.00 N flip ATOM 0 H ASN A 27 84.029 -1.724 19.735 1.00 0.00 H new ATOM 0 HA ASN A 27 84.617 -3.414 18.308 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.008 -1.579 17.772 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.482 -2.881 16.724 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.395 0.244 16.605 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.754 0.537 16.020 1.00 0.00 H new ATOM 424 N LEU A 28 86.209 -4.275 20.473 1.00 0.00 N ATOM 425 CA LEU A 28 87.155 -5.211 21.168 1.00 0.00 C ATOM 426 C LEU A 28 86.510 -6.601 21.282 1.00 0.00 C ATOM 427 O LEU A 28 85.302 -6.717 21.354 1.00 0.00 O ATOM 428 CB LEU A 28 87.426 -4.691 22.582 1.00 0.00 C ATOM 429 CG LEU A 28 88.271 -3.412 22.530 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.196 -2.715 23.893 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.741 -3.747 22.202 1.00 0.00 C ATOM 0 H LEU A 28 85.358 -4.062 20.993 1.00 0.00 H new ATOM 0 HA LEU A 28 88.083 -5.273 20.599 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.482 -4.490 23.089 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.945 -5.453 23.163 1.00 0.00 H new ATOM 0 HG LEU A 28 87.883 -2.757 21.750 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.793 -1.804 23.869 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.159 -2.464 24.117 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.582 -3.381 24.664 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.325 -2.827 22.169 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.144 -4.406 22.971 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.793 -4.245 21.234 1.00 0.00 H new ATOM 443 N PRO A 29 87.299 -7.655 21.312 1.00 0.00 N ATOM 444 CA PRO A 29 86.759 -9.041 21.436 1.00 0.00 C ATOM 445 C PRO A 29 86.230 -9.318 22.860 1.00 0.00 C ATOM 446 O PRO A 29 86.718 -8.753 23.820 1.00 0.00 O ATOM 447 CB PRO A 29 87.968 -9.933 21.113 1.00 0.00 C ATOM 448 CG PRO A 29 89.162 -9.114 21.484 1.00 0.00 C ATOM 449 CD PRO A 29 88.775 -7.652 21.229 1.00 0.00 C ATOM 0 HA PRO A 29 85.911 -9.219 20.774 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.935 -10.863 21.681 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.988 -10.204 20.057 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.431 -9.269 22.529 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.029 -9.397 20.887 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.216 -6.987 21.972 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.120 -7.312 20.252 1.00 0.00 H new ATOM 457 N PRO A 30 85.244 -10.176 23.003 1.00 0.00 N ATOM 458 CA PRO A 30 84.663 -10.512 24.335 1.00 0.00 C ATOM 459 C PRO A 30 85.726 -10.657 25.439 1.00 0.00 C ATOM 460 O PRO A 30 85.434 -10.520 26.609 1.00 0.00 O ATOM 461 CB PRO A 30 83.960 -11.853 24.092 1.00 0.00 C ATOM 462 CG PRO A 30 83.567 -11.836 22.645 1.00 0.00 C ATOM 463 CD PRO A 30 84.568 -10.919 21.920 1.00 0.00 C ATOM 0 HA PRO A 30 84.002 -9.722 24.691 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.623 -12.690 24.310 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.087 -11.962 24.736 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.592 -12.842 22.226 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.549 -11.466 22.526 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.280 -11.497 21.331 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.060 -10.243 21.232 1.00 0.00 H new ATOM 471 N VAL A 31 86.949 -10.951 25.081 1.00 0.00 N ATOM 472 CA VAL A 31 88.007 -11.123 26.125 1.00 0.00 C ATOM 473 C VAL A 31 88.169 -9.836 26.934 1.00 0.00 C ATOM 474 O VAL A 31 88.157 -9.854 28.149 1.00 0.00 O ATOM 475 CB VAL A 31 89.343 -11.463 25.445 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.494 -11.381 26.466 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.273 -12.883 24.868 1.00 0.00 C ATOM 0 H VAL A 31 87.261 -11.079 24.118 1.00 0.00 H new ATOM 0 HA VAL A 31 87.713 -11.930 26.796 1.00 0.00 H new ATOM 0 HB VAL A 31 89.527 -10.747 24.644 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.435 -11.624 25.973 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.548 -10.372 26.874 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.314 -12.090 27.274 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.219 -13.127 24.385 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.083 -13.594 25.672 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.467 -12.939 24.136 1.00 0.00 H new ATOM 487 N VAL A 32 88.325 -8.725 26.281 1.00 0.00 N ATOM 488 CA VAL A 32 88.494 -7.452 27.029 1.00 0.00 C ATOM 489 C VAL A 32 87.143 -6.984 27.558 1.00 0.00 C ATOM 490 O VAL A 32 87.041 -6.463 28.648 1.00 0.00 O ATOM 491 CB VAL A 32 89.078 -6.389 26.109 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.247 -5.087 26.887 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.442 -6.855 25.594 1.00 0.00 C ATOM 0 H VAL A 32 88.343 -8.641 25.265 1.00 0.00 H new ATOM 0 HA VAL A 32 89.172 -7.616 27.866 1.00 0.00 H new ATOM 0 HB VAL A 32 88.407 -6.227 25.265 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.665 -4.323 26.231 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.277 -4.756 27.257 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.920 -5.251 27.729 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.861 -6.095 24.935 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.114 -7.015 26.437 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.323 -7.788 25.043 1.00 0.00 H new ATOM 503 N ALA A 33 86.103 -7.157 26.792 1.00 0.00 N ATOM 504 CA ALA A 33 84.767 -6.705 27.259 1.00 0.00 C ATOM 505 C ALA A 33 84.415 -7.439 28.553 1.00 0.00 C ATOM 506 O ALA A 33 84.081 -6.833 29.550 1.00 0.00 O ATOM 507 CB ALA A 33 83.727 -7.012 26.175 1.00 0.00 C ATOM 0 H ALA A 33 86.121 -7.589 25.868 1.00 0.00 H new ATOM 0 HA ALA A 33 84.777 -5.632 27.450 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.744 -6.683 26.511 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.992 -6.487 25.257 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.705 -8.085 25.985 1.00 0.00 H new ATOM 513 N LYS A 34 84.511 -8.736 28.551 1.00 0.00 N ATOM 514 CA LYS A 34 84.207 -9.505 29.789 1.00 0.00 C ATOM 515 C LYS A 34 85.158 -9.085 30.913 1.00 0.00 C ATOM 516 O LYS A 34 84.769 -8.970 32.059 1.00 0.00 O ATOM 517 CB LYS A 34 84.372 -10.998 29.519 1.00 0.00 C ATOM 518 CG LYS A 34 83.239 -11.482 28.614 1.00 0.00 C ATOM 519 CD LYS A 34 83.410 -12.977 28.346 1.00 0.00 C ATOM 520 CE LYS A 34 82.235 -13.484 27.507 1.00 0.00 C ATOM 521 NZ LYS A 34 82.519 -14.873 27.048 1.00 0.00 N ATOM 0 H LYS A 34 84.787 -9.299 27.746 1.00 0.00 H new ATOM 0 HA LYS A 34 83.180 -9.299 30.091 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.336 -11.188 29.046 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.363 -11.551 30.458 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.275 -11.294 29.087 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.247 -10.929 27.675 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.349 -13.158 27.823 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.460 -13.523 29.288 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.318 -13.464 28.096 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.077 -12.830 26.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.722 -15.220 26.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.385 -14.878 26.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.649 -15.492 27.874 1.00 0.00 H new ATOM 535 N GLU A 35 86.403 -8.873 30.596 1.00 0.00 N ATOM 536 CA GLU A 35 87.386 -8.483 31.645 1.00 0.00 C ATOM 537 C GLU A 35 86.983 -7.154 32.288 1.00 0.00 C ATOM 538 O GLU A 35 87.107 -6.978 33.483 1.00 0.00 O ATOM 539 CB GLU A 35 88.776 -8.345 31.027 1.00 0.00 C ATOM 540 CG GLU A 35 89.813 -8.121 32.135 1.00 0.00 C ATOM 541 CD GLU A 35 89.792 -6.659 32.599 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.387 -5.811 31.821 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.178 -6.414 33.729 1.00 0.00 O ATOM 0 H GLU A 35 86.784 -8.953 29.653 1.00 0.00 H new ATOM 0 HA GLU A 35 87.401 -9.258 32.411 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.023 -9.242 30.460 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.792 -7.510 30.326 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.602 -8.780 32.978 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.807 -8.379 31.769 1.00 0.00 H new ATOM 550 N ILE A 36 86.509 -6.213 31.518 1.00 0.00 N ATOM 551 CA ILE A 36 86.119 -4.910 32.125 1.00 0.00 C ATOM 552 C ILE A 36 85.025 -5.185 33.157 1.00 0.00 C ATOM 553 O ILE A 36 85.031 -4.646 34.246 1.00 0.00 O ATOM 554 CB ILE A 36 85.603 -3.974 31.029 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.763 -3.595 30.104 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.026 -2.702 31.658 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.211 -2.952 28.830 1.00 0.00 C ATOM 0 H ILE A 36 86.376 -6.288 30.509 1.00 0.00 H new ATOM 0 HA ILE A 36 86.971 -4.432 32.608 1.00 0.00 H new ATOM 0 HB ILE A 36 84.823 -4.481 30.461 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.435 -2.903 30.611 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.347 -4.481 29.853 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.661 -2.041 30.872 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.203 -2.966 32.322 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.803 -2.193 32.228 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.037 -2.682 28.171 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.556 -3.659 28.320 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.646 -2.056 29.090 1.00 0.00 H new ATOM 569 N VAL A 37 84.114 -6.060 32.836 1.00 0.00 N ATOM 570 CA VAL A 37 83.045 -6.428 33.805 1.00 0.00 C ATOM 571 C VAL A 37 83.696 -7.193 34.962 1.00 0.00 C ATOM 572 O VAL A 37 83.346 -7.027 36.113 1.00 0.00 O ATOM 573 CB VAL A 37 82.005 -7.314 33.106 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.063 -7.942 34.143 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.190 -6.452 32.134 1.00 0.00 C ATOM 0 H VAL A 37 84.064 -6.540 31.937 1.00 0.00 H new ATOM 0 HA VAL A 37 82.545 -5.536 34.183 1.00 0.00 H new ATOM 0 HB VAL A 37 82.515 -8.111 32.564 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.329 -8.568 33.636 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.641 -8.551 34.838 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.549 -7.153 34.692 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.448 -7.073 31.632 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.686 -5.659 32.686 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.856 -6.011 31.392 1.00 0.00 H new ATOM 585 N ALA A 38 84.639 -8.036 34.646 1.00 0.00 N ATOM 586 CA ALA A 38 85.329 -8.838 35.696 1.00 0.00 C ATOM 587 C ALA A 38 86.019 -7.920 36.714 1.00 0.00 C ATOM 588 O ALA A 38 86.252 -8.306 37.842 1.00 0.00 O ATOM 589 CB ALA A 38 86.380 -9.730 35.036 1.00 0.00 C ATOM 0 H ALA A 38 84.965 -8.206 33.694 1.00 0.00 H new ATOM 0 HA ALA A 38 84.588 -9.445 36.216 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.888 -10.319 35.799 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.895 -10.398 34.325 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.107 -9.109 34.513 1.00 0.00 H new ATOM 595 N SER A 39 86.362 -6.716 36.332 1.00 0.00 N ATOM 596 CA SER A 39 87.050 -5.800 37.294 1.00 0.00 C ATOM 597 C SER A 39 86.013 -4.939 38.015 1.00 0.00 C ATOM 598 O SER A 39 86.160 -4.621 39.179 1.00 0.00 O ATOM 599 CB SER A 39 88.018 -4.895 36.530 1.00 0.00 C ATOM 600 OG SER A 39 89.040 -5.691 35.943 1.00 0.00 O ATOM 0 H SER A 39 86.197 -6.329 35.403 1.00 0.00 H new ATOM 0 HA SER A 39 87.601 -6.391 38.025 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.484 -4.341 35.758 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.456 -4.160 37.205 1.00 0.00 H new ATOM 0 HG SER A 39 89.014 -5.591 34.969 1.00 0.00 H new ATOM 606 N CYS A 40 84.957 -4.572 37.346 1.00 0.00 N ATOM 607 CA CYS A 40 83.912 -3.752 38.015 1.00 0.00 C ATOM 608 C CYS A 40 83.364 -4.540 39.208 1.00 0.00 C ATOM 609 O CYS A 40 83.027 -5.701 39.092 1.00 0.00 O ATOM 610 CB CYS A 40 82.785 -3.451 37.027 1.00 0.00 C ATOM 611 SG CYS A 40 81.596 -2.326 37.795 1.00 0.00 S ATOM 0 H CYS A 40 84.773 -4.803 36.370 1.00 0.00 H new ATOM 0 HA CYS A 40 84.338 -2.809 38.359 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.192 -3.004 36.120 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.289 -4.376 36.732 1.00 0.00 H new ATOM 616 N ASP A 41 83.291 -3.928 40.357 1.00 0.00 N ATOM 617 CA ASP A 41 82.785 -4.653 41.560 1.00 0.00 C ATOM 618 C ASP A 41 81.258 -4.782 41.519 1.00 0.00 C ATOM 619 O ASP A 41 80.699 -5.756 41.985 1.00 0.00 O ATOM 620 CB ASP A 41 83.192 -3.887 42.819 1.00 0.00 C ATOM 621 CG ASP A 41 84.705 -3.999 43.022 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.278 -4.961 42.538 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.264 -3.119 43.655 1.00 0.00 O ATOM 0 H ASP A 41 83.559 -2.957 40.517 1.00 0.00 H new ATOM 0 HA ASP A 41 83.218 -5.653 41.570 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.904 -2.840 42.729 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.668 -4.288 43.686 1.00 0.00 H new ATOM 628 N LYS A 42 80.576 -3.800 40.999 1.00 0.00 N ATOM 629 CA LYS A 42 79.085 -3.864 40.967 1.00 0.00 C ATOM 630 C LYS A 42 78.605 -4.922 39.966 1.00 0.00 C ATOM 631 O LYS A 42 77.656 -5.636 40.220 1.00 0.00 O ATOM 632 CB LYS A 42 78.536 -2.497 40.555 1.00 0.00 C ATOM 633 CG LYS A 42 78.808 -1.481 41.667 1.00 0.00 C ATOM 634 CD LYS A 42 78.258 -0.113 41.254 1.00 0.00 C ATOM 635 CE LYS A 42 78.530 0.906 42.362 1.00 0.00 C ATOM 636 NZ LYS A 42 78.316 2.283 41.834 1.00 0.00 N ATOM 0 H LYS A 42 80.984 -2.957 40.595 1.00 0.00 H new ATOM 0 HA LYS A 42 78.725 -4.136 41.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.004 -2.170 39.627 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.465 -2.566 40.365 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.340 -1.808 42.595 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.879 -1.412 41.857 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.725 0.212 40.324 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.187 -0.183 41.065 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.869 0.723 43.209 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.552 0.799 42.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.501 2.976 42.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.964 2.455 41.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.334 2.381 41.507 1.00 0.00 H new ATOM 650 N CYS A 43 79.240 -5.025 38.830 1.00 0.00 N ATOM 651 CA CYS A 43 78.800 -6.034 37.819 1.00 0.00 C ATOM 652 C CYS A 43 79.441 -7.393 38.114 1.00 0.00 C ATOM 653 O CYS A 43 79.205 -8.362 37.418 1.00 0.00 O ATOM 654 CB CYS A 43 79.200 -5.570 36.418 1.00 0.00 C ATOM 655 SG CYS A 43 78.419 -3.974 36.064 1.00 0.00 S ATOM 0 H CYS A 43 80.042 -4.457 38.557 1.00 0.00 H new ATOM 0 HA CYS A 43 77.716 -6.135 37.871 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.284 -5.480 36.349 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.894 -6.309 35.677 1.00 0.00 H new ATOM 660 N GLN A 44 80.253 -7.478 39.133 1.00 0.00 N ATOM 661 CA GLN A 44 80.905 -8.781 39.454 1.00 0.00 C ATOM 662 C GLN A 44 79.853 -9.764 39.973 1.00 0.00 C ATOM 663 O GLN A 44 79.661 -10.830 39.423 1.00 0.00 O ATOM 664 CB GLN A 44 81.972 -8.560 40.531 1.00 0.00 C ATOM 665 CG GLN A 44 82.766 -9.851 40.753 1.00 0.00 C ATOM 666 CD GLN A 44 83.616 -10.153 39.518 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.198 -9.174 38.883 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 83.752 -11.294 39.126 1.00 0.00 N flip ATOM 0 H GLN A 44 80.493 -6.706 39.755 1.00 0.00 H new ATOM 0 HA GLN A 44 81.370 -9.189 38.556 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.644 -7.757 40.229 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.501 -8.248 41.463 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.405 -9.750 41.630 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.085 -10.679 40.949 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.298 -12.061 39.621 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.321 -11.486 38.301 1.00 0.00 H new ATOM 677 N LEU A 45 79.172 -9.413 41.026 1.00 0.00 N ATOM 678 CA LEU A 45 78.128 -10.321 41.585 1.00 0.00 C ATOM 679 C LEU A 45 76.804 -10.090 40.850 1.00 0.00 C ATOM 680 O LEU A 45 76.482 -8.983 40.462 1.00 0.00 O ATOM 681 CB LEU A 45 77.942 -10.022 43.076 1.00 0.00 C ATOM 682 CG LEU A 45 79.259 -10.270 43.826 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.069 -9.918 45.306 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.678 -11.749 43.690 1.00 0.00 C ATOM 0 H LEU A 45 79.292 -8.533 41.527 1.00 0.00 H new ATOM 0 HA LEU A 45 78.439 -11.358 41.456 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.625 -8.988 43.212 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.154 -10.654 43.487 1.00 0.00 H new ATOM 0 HG LEU A 45 80.042 -9.644 43.397 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.001 -10.092 45.844 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.788 -8.869 45.397 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.283 -10.543 45.731 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.613 -11.913 44.226 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.902 -12.387 44.112 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.816 -11.993 42.637 1.00 0.00 H new ATOM 696 N LYS A 46 76.035 -11.125 40.659 1.00 0.00 N ATOM 697 CA LYS A 46 74.730 -10.972 39.953 1.00 0.00 C ATOM 698 C LYS A 46 73.760 -10.197 40.849 1.00 0.00 C ATOM 699 O LYS A 46 73.004 -9.363 40.391 1.00 0.00 O ATOM 700 CB LYS A 46 74.151 -12.359 39.661 1.00 0.00 C ATOM 701 CG LYS A 46 72.824 -12.229 38.908 1.00 0.00 C ATOM 702 CD LYS A 46 72.264 -13.624 38.629 1.00 0.00 C ATOM 703 CE LYS A 46 70.877 -13.500 37.999 1.00 0.00 C ATOM 704 NZ LYS A 46 69.961 -12.807 38.951 1.00 0.00 N ATOM 0 H LYS A 46 76.254 -12.074 40.962 1.00 0.00 H new ATOM 0 HA LYS A 46 74.877 -10.431 39.018 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.858 -12.939 39.069 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.997 -12.901 40.594 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.113 -11.650 39.498 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.975 -11.691 37.972 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.931 -14.168 37.961 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.205 -14.196 39.555 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.938 -12.942 37.065 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.486 -14.488 37.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.977 -13.067 38.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.191 -13.093 39.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.076 -11.778 38.856 1.00 0.00 H new ATOM 718 N GLY A 47 73.773 -10.480 42.121 1.00 0.00 N ATOM 719 CA GLY A 47 72.851 -9.776 43.057 1.00 0.00 C ATOM 720 C GLY A 47 72.674 -10.625 44.320 1.00 0.00 C ATOM 721 O GLY A 47 73.556 -10.706 45.150 1.00 0.00 O ATOM 0 H GLY A 47 74.385 -11.171 42.555 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.254 -8.797 43.316 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.886 -9.608 42.579 1.00 0.00 H new ATOM 725 N GLU A 48 71.542 -11.263 44.470 1.00 0.00 N ATOM 726 CA GLU A 48 71.317 -12.109 45.678 1.00 0.00 C ATOM 727 C GLU A 48 71.887 -13.505 45.426 1.00 0.00 C ATOM 728 O GLU A 48 71.301 -14.311 44.730 1.00 0.00 O ATOM 729 CB GLU A 48 69.815 -12.209 45.956 1.00 0.00 C ATOM 730 CG GLU A 48 69.259 -10.815 46.268 1.00 0.00 C ATOM 731 CD GLU A 48 69.087 -10.019 44.970 1.00 0.00 C ATOM 732 OE1 GLU A 48 69.210 -10.611 43.909 1.00 0.00 O ATOM 733 OE2 GLU A 48 68.849 -8.826 45.059 1.00 0.00 O ATOM 0 H GLU A 48 70.766 -11.234 43.809 1.00 0.00 H new ATOM 0 HA GLU A 48 71.814 -11.662 46.539 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.302 -12.632 45.092 1.00 0.00 H new ATOM 0 HB3 GLU A 48 69.634 -12.881 46.795 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.301 -10.903 46.781 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.934 -10.287 46.942 1.00 0.00 H new ATOM 740 N ALA A 49 73.032 -13.796 45.981 1.00 0.00 N ATOM 741 CA ALA A 49 73.649 -15.136 45.769 1.00 0.00 C ATOM 742 C ALA A 49 72.985 -16.173 46.681 1.00 0.00 C ATOM 743 O ALA A 49 73.210 -17.359 46.548 1.00 0.00 O ATOM 744 CB ALA A 49 75.144 -15.060 46.082 1.00 0.00 C ATOM 0 H ALA A 49 73.568 -13.162 46.573 1.00 0.00 H new ATOM 0 HA ALA A 49 73.505 -15.436 44.731 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.598 -16.039 45.928 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.617 -14.332 45.423 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.284 -14.755 47.119 1.00 0.00 H new ATOM 750 N MET A 50 72.173 -15.741 47.609 1.00 0.00 N ATOM 751 CA MET A 50 71.506 -16.713 48.525 1.00 0.00 C ATOM 752 C MET A 50 70.324 -17.371 47.805 1.00 0.00 C ATOM 753 O MET A 50 69.505 -16.709 47.201 1.00 0.00 O ATOM 754 CB MET A 50 71.015 -15.980 49.778 1.00 0.00 C ATOM 755 CG MET A 50 69.893 -15.005 49.409 1.00 0.00 C ATOM 756 SD MET A 50 69.542 -13.923 50.817 1.00 0.00 S ATOM 757 CE MET A 50 70.758 -12.638 50.432 1.00 0.00 C ATOM 0 H MET A 50 71.943 -14.761 47.772 1.00 0.00 H new ATOM 0 HA MET A 50 72.217 -17.485 48.818 1.00 0.00 H new ATOM 0 HB2 MET A 50 70.655 -16.700 50.513 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.841 -15.439 50.240 1.00 0.00 H new ATOM 0 HG2 MET A 50 70.185 -14.410 48.544 1.00 0.00 H new ATOM 0 HG3 MET A 50 68.996 -15.557 49.129 1.00 0.00 H new ATOM 0 HE1 MET A 50 70.712 -11.855 51.189 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.757 -13.074 50.421 1.00 0.00 H new ATOM 0 HE3 MET A 50 70.538 -12.210 49.454 1.00 0.00 H new ATOM 767 N HIS A 51 70.235 -18.676 47.856 1.00 0.00 N ATOM 768 CA HIS A 51 69.108 -19.380 47.171 1.00 0.00 C ATOM 769 C HIS A 51 67.924 -19.530 48.131 1.00 0.00 C ATOM 770 O HIS A 51 66.891 -20.060 47.774 1.00 0.00 O ATOM 771 CB HIS A 51 69.574 -20.763 46.711 1.00 0.00 C ATOM 772 CG HIS A 51 70.544 -20.608 45.573 1.00 0.00 C ATOM 773 ND1 HIS A 51 70.176 -20.039 44.361 1.00 0.00 N ATOM 774 CD2 HIS A 51 71.870 -20.942 45.443 1.00 0.00 C ATOM 775 CE1 HIS A 51 71.260 -20.049 43.562 1.00 0.00 C ATOM 776 NE2 HIS A 51 72.316 -20.587 44.175 1.00 0.00 N ATOM 0 H HIS A 51 70.894 -19.284 48.342 1.00 0.00 H new ATOM 0 HA HIS A 51 68.794 -18.795 46.307 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.047 -21.293 47.537 1.00 0.00 H new ATOM 0 HB3 HIS A 51 68.719 -21.361 46.396 1.00 0.00 H new ATOM 0 HD2 HIS A 51 72.473 -21.408 46.208 1.00 0.00 H new ATOM 0 HE1 HIS A 51 71.273 -19.669 42.551 1.00 0.00 H new ATOM 0 HE2 HIS A 51 73.254 -20.712 43.793 1.00 0.00 H new ATOM 785 N GLY A 52 68.057 -19.061 49.341 1.00 0.00 N ATOM 786 CA GLY A 52 66.929 -19.174 50.310 1.00 0.00 C ATOM 787 C GLY A 52 66.776 -20.628 50.764 1.00 0.00 C ATOM 788 O GLY A 52 67.691 -21.421 50.659 1.00 0.00 O ATOM 0 H GLY A 52 68.896 -18.605 49.701 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.113 -18.532 51.172 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.004 -18.829 49.847 1.00 0.00 H new ATOM 792 N GLN A 53 65.626 -20.982 51.275 1.00 0.00 N ATOM 793 CA GLN A 53 65.417 -22.382 51.745 1.00 0.00 C ATOM 794 C GLN A 53 65.100 -23.290 50.554 1.00 0.00 C ATOM 795 O GLN A 53 64.338 -22.940 49.676 1.00 0.00 O ATOM 796 CB GLN A 53 64.250 -22.427 52.736 1.00 0.00 C ATOM 797 CG GLN A 53 64.648 -21.709 54.027 1.00 0.00 C ATOM 798 CD GLN A 53 63.483 -21.754 55.017 1.00 0.00 C ATOM 799 OE1 GLN A 53 62.332 -21.764 54.624 1.00 0.00 O ATOM 800 NE2 GLN A 53 63.735 -21.782 56.297 1.00 0.00 N ATOM 0 H GLN A 53 64.824 -20.362 51.387 1.00 0.00 H new ATOM 0 HA GLN A 53 66.327 -22.729 52.235 1.00 0.00 H new ATOM 0 HB2 GLN A 53 63.371 -21.953 52.300 1.00 0.00 H new ATOM 0 HB3 GLN A 53 63.981 -23.461 52.951 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.528 -22.183 54.463 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.917 -20.675 53.812 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.700 -21.774 56.627 1.00 0.00 H new ATOM 0 HE22 GLN A 53 62.967 -21.812 56.967 1.00 0.00 H new ATOM 809 N VAL A 54 65.683 -24.462 50.525 1.00 0.00 N ATOM 810 CA VAL A 54 65.430 -25.413 49.399 1.00 0.00 C ATOM 811 C VAL A 54 64.426 -26.477 49.856 1.00 0.00 C ATOM 812 O VAL A 54 64.639 -27.160 50.839 1.00 0.00 O ATOM 813 CB VAL A 54 66.750 -26.087 49.016 1.00 0.00 C ATOM 814 CG1 VAL A 54 66.540 -26.980 47.790 1.00 0.00 C ATOM 815 CG2 VAL A 54 67.792 -25.011 48.693 1.00 0.00 C ATOM 0 H VAL A 54 66.328 -24.803 51.238 1.00 0.00 H new ATOM 0 HA VAL A 54 65.026 -24.878 48.540 1.00 0.00 H new ATOM 0 HB VAL A 54 67.099 -26.698 49.848 1.00 0.00 H new ATOM 0 HG11 VAL A 54 67.483 -27.457 47.522 1.00 0.00 H new ATOM 0 HG12 VAL A 54 65.798 -27.745 48.020 1.00 0.00 H new ATOM 0 HG13 VAL A 54 66.189 -26.374 46.954 1.00 0.00 H new ATOM 0 HG21 VAL A 54 68.734 -25.487 48.420 1.00 0.00 H new ATOM 0 HG22 VAL A 54 67.439 -24.401 47.862 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.945 -24.379 49.568 1.00 0.00 H new ATOM 825 N ASP A 55 63.331 -26.624 49.155 1.00 0.00 N ATOM 826 CA ASP A 55 62.316 -27.645 49.557 1.00 0.00 C ATOM 827 C ASP A 55 62.667 -28.991 48.921 1.00 0.00 C ATOM 828 O ASP A 55 62.051 -29.978 49.293 1.00 0.00 O ATOM 829 CB ASP A 55 60.927 -27.209 49.082 1.00 0.00 C ATOM 830 CG ASP A 55 60.457 -26.000 49.895 1.00 0.00 C ATOM 831 OD1 ASP A 55 61.041 -25.748 50.936 1.00 0.00 O ATOM 832 OD2 ASP A 55 59.522 -25.347 49.462 1.00 0.00 O ATOM 833 OXT ASP A 55 63.544 -29.015 48.073 1.00 0.00 O ATOM 0 H ASP A 55 63.096 -26.083 48.323 1.00 0.00 H new ATOM 0 HA ASP A 55 62.314 -27.741 50.643 1.00 0.00 H new ATOM 0 HB2 ASP A 55 60.958 -26.956 48.022 1.00 0.00 H new ATOM 0 HB3 ASP A 55 60.220 -28.031 49.193 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.870 -11.676 22.219 1.00 0.00 N ATOM 840 CA PHE B 1 95.043 -12.832 22.671 1.00 0.00 C ATOM 841 C PHE B 1 95.660 -14.122 22.136 1.00 0.00 C ATOM 842 O PHE B 1 95.652 -14.380 20.948 1.00 0.00 O ATOM 843 CB PHE B 1 93.618 -12.668 22.142 1.00 0.00 C ATOM 844 CG PHE B 1 93.149 -11.254 22.416 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.901 -10.843 23.733 1.00 0.00 C ATOM 846 CD2 PHE B 1 92.972 -10.350 21.358 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.476 -9.533 23.990 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.546 -9.038 21.619 1.00 0.00 C ATOM 849 CZ PHE B 1 92.299 -8.633 22.934 1.00 0.00 C ATOM 0 H1 PHE B 1 95.253 -10.860 22.030 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.555 -11.428 22.961 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.380 -11.933 21.350 1.00 0.00 H new ATOM 0 HA PHE B 1 95.014 -12.873 23.760 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.588 -12.874 21.072 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.953 -13.385 22.623 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.038 -11.536 24.550 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.164 -10.663 20.342 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.285 -9.218 25.005 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.409 -8.342 20.804 1.00 0.00 H new ATOM 0 HZ PHE B 1 91.971 -7.624 23.135 1.00 0.00 H new ATOM 861 N LEU B 2 96.221 -14.925 23.004 1.00 0.00 N ATOM 862 CA LEU B 2 96.875 -16.193 22.555 1.00 0.00 C ATOM 863 C LEU B 2 95.947 -17.386 22.747 1.00 0.00 C ATOM 864 O LEU B 2 95.304 -17.538 23.760 1.00 0.00 O ATOM 865 CB LEU B 2 98.156 -16.416 23.367 1.00 0.00 C ATOM 866 CG LEU B 2 99.067 -15.184 23.266 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.339 -15.429 24.085 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.449 -14.927 21.800 1.00 0.00 C ATOM 0 H LEU B 2 96.255 -14.757 24.009 1.00 0.00 H new ATOM 0 HA LEU B 2 97.109 -16.103 21.494 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.906 -16.608 24.410 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.681 -17.297 22.998 1.00 0.00 H new ATOM 0 HG LEU B 2 98.536 -14.314 23.653 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.989 -14.557 24.017 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.073 -15.602 25.128 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.861 -16.302 23.694 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.095 -14.051 21.741 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.977 -15.795 21.404 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.547 -14.753 21.214 1.00 0.00 H new ATOM 880 N ASP B 3 95.902 -18.251 21.774 1.00 0.00 N ATOM 881 CA ASP B 3 95.049 -19.463 21.885 1.00 0.00 C ATOM 882 C ASP B 3 95.538 -20.273 23.082 1.00 0.00 C ATOM 883 O ASP B 3 94.760 -20.821 23.837 1.00 0.00 O ATOM 884 CB ASP B 3 95.168 -20.298 20.610 1.00 0.00 C ATOM 885 CG ASP B 3 94.483 -19.563 19.457 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.633 -18.731 19.733 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.820 -19.842 18.319 1.00 0.00 O ATOM 0 H ASP B 3 96.423 -18.169 20.901 1.00 0.00 H new ATOM 0 HA ASP B 3 94.004 -19.182 22.018 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.217 -20.472 20.373 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.708 -21.275 20.758 1.00 0.00 H new ATOM 892 N GLY B 4 96.831 -20.336 23.266 1.00 0.00 N ATOM 893 CA GLY B 4 97.391 -21.093 24.423 1.00 0.00 C ATOM 894 C GLY B 4 96.644 -20.689 25.698 1.00 0.00 C ATOM 895 O GLY B 4 96.754 -21.328 26.725 1.00 0.00 O ATOM 0 H GLY B 4 97.525 -19.894 22.663 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.292 -22.165 24.254 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.455 -20.884 24.529 1.00 0.00 H new ATOM 899 N ILE B 5 95.867 -19.642 25.628 1.00 0.00 N ATOM 900 CA ILE B 5 95.091 -19.205 26.817 1.00 0.00 C ATOM 901 C ILE B 5 94.164 -20.351 27.236 1.00 0.00 C ATOM 902 O ILE B 5 93.889 -20.543 28.404 1.00 0.00 O ATOM 903 CB ILE B 5 94.280 -17.947 26.456 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.205 -16.729 26.441 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.164 -17.718 27.485 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.480 -15.545 25.791 1.00 0.00 C ATOM 0 H ILE B 5 95.738 -19.070 24.793 1.00 0.00 H new ATOM 0 HA ILE B 5 95.755 -18.960 27.646 1.00 0.00 H new ATOM 0 HB ILE B 5 93.835 -18.088 25.471 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.503 -16.473 27.458 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.117 -16.958 25.889 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.599 -16.825 27.217 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.497 -18.580 27.496 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.603 -17.586 28.474 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.139 -14.677 25.780 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.204 -15.804 24.769 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.581 -15.311 26.361 1.00 0.00 H new ATOM 918 N ASP B 6 93.692 -21.122 26.294 1.00 0.00 N ATOM 919 CA ASP B 6 92.797 -22.263 26.645 1.00 0.00 C ATOM 920 C ASP B 6 93.548 -23.220 27.573 1.00 0.00 C ATOM 921 O ASP B 6 92.995 -23.739 28.523 1.00 0.00 O ATOM 922 CB ASP B 6 92.376 -23.002 25.372 1.00 0.00 C ATOM 923 CG ASP B 6 91.418 -22.124 24.565 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.844 -21.218 25.147 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.268 -22.378 23.381 1.00 0.00 O ATOM 0 H ASP B 6 93.887 -21.012 25.299 1.00 0.00 H new ATOM 0 HA ASP B 6 91.906 -21.888 27.148 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.254 -23.246 24.774 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.893 -23.945 25.629 1.00 0.00 H new ATOM 930 N LYS B 7 94.806 -23.450 27.314 1.00 0.00 N ATOM 931 CA LYS B 7 95.594 -24.363 28.191 1.00 0.00 C ATOM 932 C LYS B 7 95.608 -23.788 29.607 1.00 0.00 C ATOM 933 O LYS B 7 95.516 -24.504 30.584 1.00 0.00 O ATOM 934 CB LYS B 7 97.033 -24.478 27.668 1.00 0.00 C ATOM 935 CG LYS B 7 97.821 -25.461 28.551 1.00 0.00 C ATOM 936 CD LYS B 7 99.265 -25.612 28.034 1.00 0.00 C ATOM 937 CE LYS B 7 99.327 -26.654 26.907 1.00 0.00 C ATOM 938 NZ LYS B 7 98.976 -27.999 27.448 1.00 0.00 N ATOM 0 H LYS B 7 95.323 -23.045 26.533 1.00 0.00 H new ATOM 0 HA LYS B 7 95.141 -25.354 28.193 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.029 -24.823 26.634 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.514 -23.500 27.676 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.833 -25.105 29.581 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.326 -26.432 28.555 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.629 -24.651 27.670 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.921 -25.912 28.851 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.638 -26.381 26.108 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.326 -26.675 26.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.420 -28.735 26.863 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.319 -28.080 28.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.943 -28.121 27.432 1.00 0.00 H new ATOM 952 N ALA B 8 95.728 -22.495 29.719 1.00 0.00 N ATOM 953 CA ALA B 8 95.756 -21.856 31.064 1.00 0.00 C ATOM 954 C ALA B 8 94.463 -22.177 31.820 1.00 0.00 C ATOM 955 O ALA B 8 94.476 -22.401 33.014 1.00 0.00 O ATOM 956 CB ALA B 8 95.892 -20.341 30.900 1.00 0.00 C ATOM 0 H ALA B 8 95.808 -21.850 28.933 1.00 0.00 H new ATOM 0 HA ALA B 8 96.604 -22.241 31.630 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.913 -19.869 31.882 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.816 -20.114 30.369 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.044 -19.959 30.332 1.00 0.00 H new ATOM 962 N GLN B 9 93.343 -22.198 31.146 1.00 0.00 N ATOM 963 CA GLN B 9 92.068 -22.504 31.857 1.00 0.00 C ATOM 964 C GLN B 9 92.171 -23.896 32.484 1.00 0.00 C ATOM 965 O GLN B 9 91.738 -24.127 33.596 1.00 0.00 O ATOM 966 CB GLN B 9 90.900 -22.492 30.866 1.00 0.00 C ATOM 967 CG GLN B 9 90.627 -21.063 30.397 1.00 0.00 C ATOM 968 CD GLN B 9 89.438 -21.063 29.433 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.539 -21.683 28.289 1.00 0.00 O flip ATOM 970 NE2 GLN B 9 88.404 -20.500 29.728 1.00 0.00 N flip ATOM 0 H GLN B 9 93.256 -22.019 30.146 1.00 0.00 H new ATOM 0 HA GLN B 9 91.896 -21.752 32.627 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.132 -23.126 30.010 1.00 0.00 H new ATOM 0 HB3 GLN B 9 90.008 -22.906 31.337 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.416 -20.422 31.253 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.509 -20.656 29.904 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.324 -20.015 30.622 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.615 -20.512 29.082 1.00 0.00 H new ATOM 979 N GLU B 10 92.747 -24.824 31.772 1.00 0.00 N ATOM 980 CA GLU B 10 92.891 -26.208 32.304 1.00 0.00 C ATOM 981 C GLU B 10 93.751 -26.199 33.573 1.00 0.00 C ATOM 982 O GLU B 10 93.489 -26.916 34.517 1.00 0.00 O ATOM 983 CB GLU B 10 93.558 -27.083 31.240 1.00 0.00 C ATOM 984 CG GLU B 10 93.645 -28.530 31.733 1.00 0.00 C ATOM 985 CD GLU B 10 94.314 -29.391 30.660 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.425 -28.924 29.538 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.716 -30.497 30.982 1.00 0.00 O ATOM 0 H GLU B 10 93.127 -24.682 30.836 1.00 0.00 H new ATOM 0 HA GLU B 10 91.906 -26.605 32.550 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.988 -27.040 30.312 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.556 -26.705 31.019 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.216 -28.576 32.661 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.648 -28.912 31.953 1.00 0.00 H new ATOM 994 N GLU B 11 94.794 -25.410 33.588 1.00 0.00 N ATOM 995 CA GLU B 11 95.696 -25.369 34.781 1.00 0.00 C ATOM 996 C GLU B 11 95.264 -24.256 35.739 1.00 0.00 C ATOM 997 O GLU B 11 95.889 -24.029 36.756 1.00 0.00 O ATOM 998 CB GLU B 11 97.130 -25.105 34.317 1.00 0.00 C ATOM 999 CG GLU B 11 97.591 -26.243 33.402 1.00 0.00 C ATOM 1000 CD GLU B 11 97.708 -27.537 34.211 1.00 0.00 C ATOM 1001 OE1 GLU B 11 97.833 -27.447 35.421 1.00 0.00 O ATOM 1002 OE2 GLU B 11 97.672 -28.595 33.604 1.00 0.00 O ATOM 0 H GLU B 11 95.062 -24.790 32.824 1.00 0.00 H new ATOM 0 HA GLU B 11 95.639 -26.325 35.301 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.182 -24.154 33.786 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.793 -25.026 35.178 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.882 -26.376 32.585 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.553 -25.995 32.953 1.00 0.00 H new ATOM 1009 N CYS B 12 94.203 -23.561 35.433 1.00 0.00 N ATOM 1010 CA CYS B 12 93.744 -22.467 36.341 1.00 0.00 C ATOM 1011 C CYS B 12 93.705 -22.985 37.780 1.00 0.00 C ATOM 1012 O CYS B 12 94.064 -22.292 38.711 1.00 0.00 O ATOM 1013 CB CYS B 12 92.346 -22.008 35.929 1.00 0.00 C ATOM 1014 SG CYS B 12 91.844 -20.602 36.954 1.00 0.00 S ATOM 0 H CYS B 12 93.635 -23.701 34.598 1.00 0.00 H new ATOM 0 HA CYS B 12 94.435 -21.627 36.272 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.340 -21.724 34.877 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.635 -22.826 36.042 1.00 0.00 H new ATOM 1019 N GLU B 13 93.274 -24.201 37.966 1.00 0.00 N ATOM 1020 CA GLU B 13 93.212 -24.770 39.339 1.00 0.00 C ATOM 1021 C GLU B 13 94.619 -24.776 39.942 1.00 0.00 C ATOM 1022 O GLU B 13 94.807 -24.503 41.110 1.00 0.00 O ATOM 1023 CB GLU B 13 92.678 -26.202 39.269 1.00 0.00 C ATOM 1024 CG GLU B 13 91.197 -26.177 38.891 1.00 0.00 C ATOM 1025 CD GLU B 13 90.688 -27.609 38.720 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.474 -28.522 38.908 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.523 -27.768 38.400 1.00 0.00 O ATOM 0 H GLU B 13 92.961 -24.826 37.223 1.00 0.00 H new ATOM 0 HA GLU B 13 92.550 -24.167 39.961 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.242 -26.776 38.534 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.810 -26.698 40.231 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.623 -25.666 39.663 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.057 -25.617 37.966 1.00 0.00 H new ATOM 1034 N LYS B 14 95.607 -25.090 39.151 1.00 0.00 N ATOM 1035 CA LYS B 14 97.006 -25.120 39.666 1.00 0.00 C ATOM 1036 C LYS B 14 97.395 -23.731 40.185 1.00 0.00 C ATOM 1037 O LYS B 14 98.064 -23.602 41.192 1.00 0.00 O ATOM 1038 CB LYS B 14 97.960 -25.529 38.539 1.00 0.00 C ATOM 1039 CG LYS B 14 99.383 -25.670 39.092 1.00 0.00 C ATOM 1040 CD LYS B 14 100.332 -26.079 37.963 1.00 0.00 C ATOM 1041 CE LYS B 14 101.738 -26.300 38.528 1.00 0.00 C ATOM 1042 NZ LYS B 14 102.230 -25.038 39.149 1.00 0.00 N ATOM 0 H LYS B 14 95.506 -25.329 38.164 1.00 0.00 H new ATOM 0 HA LYS B 14 97.074 -25.842 40.479 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.635 -26.472 38.099 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.941 -24.783 37.744 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.709 -24.727 39.531 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.403 -26.416 39.887 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.974 -26.991 37.486 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.355 -25.305 37.196 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.722 -27.100 39.269 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.415 -26.615 37.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.265 -25.076 39.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.965 -24.230 38.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.804 -24.925 40.091 1.00 0.00 H new ATOM 1056 N TYR B 15 96.998 -22.688 39.501 1.00 0.00 N ATOM 1057 CA TYR B 15 97.362 -21.311 39.955 1.00 0.00 C ATOM 1058 C TYR B 15 96.354 -20.821 40.994 1.00 0.00 C ATOM 1059 O TYR B 15 96.605 -19.875 41.713 1.00 0.00 O ATOM 1060 CB TYR B 15 97.339 -20.358 38.760 1.00 0.00 C ATOM 1061 CG TYR B 15 98.439 -20.726 37.797 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.729 -20.222 37.986 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.168 -21.570 36.712 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.751 -20.560 37.092 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.189 -21.908 35.817 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.481 -21.402 36.007 1.00 0.00 C ATOM 1067 OH TYR B 15 101.489 -21.735 35.125 1.00 0.00 O ATOM 0 H TYR B 15 96.438 -22.730 38.649 1.00 0.00 H new ATOM 0 HA TYR B 15 98.359 -21.336 40.395 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.372 -20.410 38.260 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.468 -19.330 39.099 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.937 -19.571 38.823 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.171 -21.960 36.567 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.748 -20.171 37.239 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.981 -22.559 34.980 1.00 0.00 H new ATOM 0 HH TYR B 15 102.294 -21.217 35.337 1.00 0.00 H new ATOM 1077 N HIS B 16 95.220 -21.455 41.080 1.00 0.00 N ATOM 1078 CA HIS B 16 94.201 -21.026 42.077 1.00 0.00 C ATOM 1079 C HIS B 16 93.792 -19.574 41.807 1.00 0.00 C ATOM 1080 O HIS B 16 93.591 -19.172 40.678 1.00 0.00 O ATOM 1081 CB HIS B 16 94.787 -21.142 43.489 1.00 0.00 C ATOM 1082 CG HIS B 16 95.602 -22.401 43.593 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.250 -23.728 43.573 1.00 0.00 N flip ATOM 1084 CD2 HIS B 16 96.981 -22.377 43.748 1.00 0.00 C flip ATOM 1085 CE1 HIS B 16 96.388 -24.512 43.715 1.00 0.00 C flip ATOM 1086 NE2 HIS B 16 97.404 -23.654 43.817 1.00 0.00 N flip ATOM 0 H HIS B 16 94.954 -22.253 40.503 1.00 0.00 H new ATOM 0 HA HIS B 16 93.323 -21.667 41.995 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.409 -20.274 43.708 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.985 -21.154 44.227 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.602 -21.495 43.803 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.439 -25.591 43.738 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.379 -23.930 43.933 1.00 0.00 H new ATOM 1095 N SER B 17 93.663 -18.788 42.842 1.00 0.00 N ATOM 1096 CA SER B 17 93.258 -17.362 42.666 1.00 0.00 C ATOM 1097 C SER B 17 94.490 -16.488 42.398 1.00 0.00 C ATOM 1098 O SER B 17 94.377 -15.294 42.203 1.00 0.00 O ATOM 1099 CB SER B 17 92.564 -16.876 43.938 1.00 0.00 C ATOM 1100 OG SER B 17 92.378 -15.468 43.862 1.00 0.00 O ATOM 0 H SER B 17 93.822 -19.074 43.808 1.00 0.00 H new ATOM 0 HA SER B 17 92.579 -17.288 41.817 1.00 0.00 H new ATOM 0 HB2 SER B 17 91.602 -17.376 44.055 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.163 -17.129 44.813 1.00 0.00 H new ATOM 0 HG SER B 17 92.805 -15.125 43.049 1.00 0.00 H new ATOM 1106 N ASN B 18 95.663 -17.061 42.399 1.00 0.00 N ATOM 1107 CA ASN B 18 96.887 -16.242 42.156 1.00 0.00 C ATOM 1108 C ASN B 18 97.073 -16.026 40.653 1.00 0.00 C ATOM 1109 O ASN B 18 97.870 -16.684 40.015 1.00 0.00 O ATOM 1110 CB ASN B 18 98.107 -16.979 42.710 1.00 0.00 C ATOM 1111 CG ASN B 18 98.036 -17.006 44.235 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.357 -16.201 44.840 1.00 0.00 O ATOM 1113 ND2 ASN B 18 98.715 -17.907 44.888 1.00 0.00 N ATOM 0 H ASN B 18 95.827 -18.055 42.557 1.00 0.00 H new ATOM 0 HA ASN B 18 96.779 -15.277 42.652 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.140 -17.996 42.319 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.022 -16.484 42.387 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.676 -17.936 45.907 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.285 -18.583 44.380 1.00 0.00 H new ATOM 1120 N TRP B 19 96.344 -15.107 40.083 1.00 0.00 N ATOM 1121 CA TRP B 19 96.481 -14.846 38.622 1.00 0.00 C ATOM 1122 C TRP B 19 97.832 -14.190 38.337 1.00 0.00 C ATOM 1123 O TRP B 19 98.363 -14.283 37.247 1.00 0.00 O ATOM 1124 CB TRP B 19 95.355 -13.920 38.156 1.00 0.00 C ATOM 1125 CG TRP B 19 95.427 -12.622 38.897 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.780 -12.352 40.054 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.176 -11.417 38.557 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.075 -11.057 40.441 1.00 0.00 N ATOM 1129 CE2 TRP B 19 95.933 -10.441 39.553 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.030 -11.078 37.493 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.517 -9.174 39.494 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.622 -9.805 37.431 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.365 -8.855 38.430 1.00 0.00 C ATOM 0 H TRP B 19 95.659 -14.525 40.566 1.00 0.00 H new ATOM 0 HA TRP B 19 96.419 -15.792 38.083 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.438 -13.742 37.084 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.388 -14.394 38.327 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.138 -13.036 40.589 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.704 -10.612 41.280 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.233 -11.802 36.717 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.315 -8.446 40.265 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.278 -9.557 36.610 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.822 -7.878 38.377 1.00 0.00 H new ATOM 1144 N ARG B 20 98.387 -13.514 39.303 1.00 0.00 N ATOM 1145 CA ARG B 20 99.697 -12.839 39.087 1.00 0.00 C ATOM 1146 C ARG B 20 100.766 -13.872 38.725 1.00 0.00 C ATOM 1147 O ARG B 20 101.599 -13.641 37.873 1.00 0.00 O ATOM 1148 CB ARG B 20 100.100 -12.121 40.374 1.00 0.00 C ATOM 1149 CG ARG B 20 99.176 -10.922 40.600 1.00 0.00 C ATOM 1150 CD ARG B 20 99.572 -10.210 41.894 1.00 0.00 C ATOM 1151 NE ARG B 20 98.655 -9.060 42.131 1.00 0.00 N ATOM 1152 CZ ARG B 20 98.589 -8.510 43.313 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.314 -8.976 44.293 1.00 0.00 N ATOM 1154 NH2 ARG B 20 97.792 -7.497 43.515 1.00 0.00 N ATOM 0 H ARG B 20 97.989 -13.399 40.235 1.00 0.00 H new ATOM 0 HA ARG B 20 99.607 -12.123 38.270 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.038 -12.806 41.220 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.136 -11.788 40.308 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.244 -10.233 39.758 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.139 -11.254 40.658 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.525 -10.905 42.733 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.602 -9.860 41.828 1.00 0.00 H new ATOM 0 HE ARG B 20 98.079 -8.702 41.369 1.00 0.00 H new ATOM 0 HH11 ARG B 20 99.933 -9.771 44.136 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.261 -8.545 45.216 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.222 -7.136 42.750 1.00 0.00 H new ATOM 0 HH22 ARG B 20 97.739 -7.066 44.438 1.00 0.00 H new ATOM 1168 N ALA B 21 100.754 -15.005 39.368 1.00 0.00 N ATOM 1169 CA ALA B 21 101.777 -16.043 39.058 1.00 0.00 C ATOM 1170 C ALA B 21 101.536 -16.601 37.651 1.00 0.00 C ATOM 1171 O ALA B 21 102.457 -16.784 36.880 1.00 0.00 O ATOM 1172 CB ALA B 21 101.684 -17.174 40.088 1.00 0.00 C ATOM 0 H ALA B 21 100.082 -15.258 40.093 1.00 0.00 H new ATOM 0 HA ALA B 21 102.771 -15.598 39.100 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.432 -17.934 39.862 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.864 -16.773 41.086 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.690 -17.620 40.050 1.00 0.00 H new ATOM 1178 N MET B 22 100.304 -16.867 37.307 1.00 0.00 N ATOM 1179 CA MET B 22 100.005 -17.405 35.949 1.00 0.00 C ATOM 1180 C MET B 22 100.397 -16.376 34.888 1.00 0.00 C ATOM 1181 O MET B 22 100.925 -16.713 33.848 1.00 0.00 O ATOM 1182 CB MET B 22 98.510 -17.719 35.841 1.00 0.00 C ATOM 1183 CG MET B 22 98.212 -18.324 34.469 1.00 0.00 C ATOM 1184 SD MET B 22 96.529 -18.993 34.454 1.00 0.00 S ATOM 1185 CE MET B 22 95.661 -17.448 34.822 1.00 0.00 C ATOM 0 H MET B 22 99.491 -16.735 37.909 1.00 0.00 H new ATOM 0 HA MET B 22 100.577 -18.318 35.788 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.216 -18.414 36.628 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.926 -16.810 35.984 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.320 -17.565 33.694 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.930 -19.113 34.244 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.627 -17.523 34.486 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.681 -17.266 35.897 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.151 -16.623 34.305 1.00 0.00 H new ATOM 1195 N ALA B 23 100.139 -15.122 35.138 1.00 0.00 N ATOM 1196 CA ALA B 23 100.495 -14.080 34.136 1.00 0.00 C ATOM 1197 C ALA B 23 102.001 -14.129 33.857 1.00 0.00 C ATOM 1198 O ALA B 23 102.440 -13.976 32.734 1.00 0.00 O ATOM 1199 CB ALA B 23 100.120 -12.703 34.687 1.00 0.00 C ATOM 0 H ALA B 23 99.698 -14.775 35.990 1.00 0.00 H new ATOM 0 HA ALA B 23 99.952 -14.263 33.209 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.379 -11.936 33.957 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.049 -12.669 34.884 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.665 -12.521 35.613 1.00 0.00 H new ATOM 1205 N SER B 24 102.797 -14.329 34.873 1.00 0.00 N ATOM 1206 CA SER B 24 104.276 -14.375 34.674 1.00 0.00 C ATOM 1207 C SER B 24 104.670 -15.575 33.804 1.00 0.00 C ATOM 1208 O SER B 24 105.551 -15.481 32.972 1.00 0.00 O ATOM 1209 CB SER B 24 104.966 -14.486 36.034 1.00 0.00 C ATOM 1210 OG SER B 24 104.726 -13.300 36.778 1.00 0.00 O ATOM 0 H SER B 24 102.486 -14.463 35.835 1.00 0.00 H new ATOM 0 HA SER B 24 104.589 -13.461 34.169 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.589 -15.353 36.577 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.037 -14.635 35.900 1.00 0.00 H new ATOM 0 HG SER B 24 103.810 -13.312 37.125 1.00 0.00 H new ATOM 1216 N ASP B 25 104.048 -16.704 33.999 1.00 0.00 N ATOM 1217 CA ASP B 25 104.417 -17.906 33.191 1.00 0.00 C ATOM 1218 C ASP B 25 103.978 -17.734 31.736 1.00 0.00 C ATOM 1219 O ASP B 25 104.688 -18.101 30.820 1.00 0.00 O ATOM 1220 CB ASP B 25 103.729 -19.136 33.778 1.00 0.00 C ATOM 1221 CG ASP B 25 104.364 -19.486 35.124 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.502 -19.102 35.337 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.702 -20.137 35.917 1.00 0.00 O ATOM 0 H ASP B 25 103.302 -16.849 34.680 1.00 0.00 H new ATOM 0 HA ASP B 25 105.500 -18.028 33.220 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.664 -18.943 33.906 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.820 -19.978 33.092 1.00 0.00 H new ATOM 1228 N PHE B 26 102.822 -17.180 31.511 1.00 0.00 N ATOM 1229 CA PHE B 26 102.342 -16.982 30.109 1.00 0.00 C ATOM 1230 C PHE B 26 102.752 -15.586 29.634 1.00 0.00 C ATOM 1231 O PHE B 26 102.525 -15.211 28.501 1.00 0.00 O ATOM 1232 CB PHE B 26 100.817 -17.124 30.069 1.00 0.00 C ATOM 1233 CG PHE B 26 100.435 -18.578 30.253 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.224 -19.095 31.540 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.283 -19.411 29.134 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.868 -20.439 31.706 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.926 -20.753 29.303 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.720 -21.268 30.588 1.00 0.00 C ATOM 0 H PHE B 26 102.184 -16.853 32.237 1.00 0.00 H new ATOM 0 HA PHE B 26 102.785 -17.731 29.453 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.365 -16.517 30.853 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.432 -16.754 29.118 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.336 -18.456 32.403 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.442 -19.016 28.142 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.708 -20.836 32.697 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.809 -21.393 28.441 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.447 -22.305 30.717 1.00 0.00 H new ATOM 1248 N ASN B 27 103.371 -14.821 30.493 1.00 0.00 N ATOM 1249 CA ASN B 27 103.817 -13.453 30.100 1.00 0.00 C ATOM 1250 C ASN B 27 102.646 -12.675 29.494 1.00 0.00 C ATOM 1251 O ASN B 27 102.781 -12.049 28.460 1.00 0.00 O ATOM 1252 CB ASN B 27 104.944 -13.563 29.071 1.00 0.00 C ATOM 1253 CG ASN B 27 106.120 -14.328 29.682 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.503 -14.046 30.896 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.694 -15.191 29.048 1.00 0.00 N flip ATOM 0 H ASN B 27 103.588 -15.086 31.454 1.00 0.00 H new ATOM 0 HA ASN B 27 104.176 -12.925 30.983 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.587 -14.076 28.178 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.265 -12.569 28.760 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.394 -15.411 28.098 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.476 -15.695 29.465 1.00 0.00 H new ATOM 1262 N LEU B 28 101.496 -12.708 30.127 1.00 0.00 N ATOM 1263 CA LEU B 28 100.302 -11.969 29.591 1.00 0.00 C ATOM 1264 C LEU B 28 99.937 -10.823 30.548 1.00 0.00 C ATOM 1265 O LEU B 28 100.173 -10.913 31.737 1.00 0.00 O ATOM 1266 CB LEU B 28 99.113 -12.930 29.514 1.00 0.00 C ATOM 1267 CG LEU B 28 99.334 -13.974 28.410 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.340 -15.121 28.607 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.123 -13.345 27.020 1.00 0.00 C ATOM 0 H LEU B 28 101.331 -13.217 30.996 1.00 0.00 H new ATOM 0 HA LEU B 28 100.536 -11.571 28.603 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.979 -13.430 30.473 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.199 -12.371 29.316 1.00 0.00 H new ATOM 0 HG LEU B 28 100.357 -14.346 28.470 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.488 -15.869 27.828 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.500 -15.578 29.584 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.322 -14.734 28.550 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.284 -14.100 26.251 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.105 -12.962 26.945 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.830 -12.527 26.879 1.00 0.00 H new ATOM 1281 N PRO B 29 99.353 -9.754 30.048 1.00 0.00 N ATOM 1282 CA PRO B 29 98.950 -8.600 30.904 1.00 0.00 C ATOM 1283 C PRO B 29 97.721 -8.942 31.772 1.00 0.00 C ATOM 1284 O PRO B 29 96.895 -9.745 31.383 1.00 0.00 O ATOM 1285 CB PRO B 29 98.619 -7.492 29.891 1.00 0.00 C ATOM 1286 CG PRO B 29 98.211 -8.216 28.647 1.00 0.00 C ATOM 1287 CD PRO B 29 99.016 -9.521 28.628 1.00 0.00 C ATOM 0 HA PRO B 29 99.730 -8.312 31.609 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.817 -6.850 30.256 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.482 -6.852 29.710 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.140 -8.419 28.648 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.421 -7.616 27.761 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.432 -10.344 28.216 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.913 -9.428 28.015 1.00 0.00 H new ATOM 1295 N PRO B 30 97.593 -8.346 32.937 1.00 0.00 N ATOM 1296 CA PRO B 30 96.442 -8.610 33.846 1.00 0.00 C ATOM 1297 C PRO B 30 95.103 -8.731 33.101 1.00 0.00 C ATOM 1298 O PRO B 30 94.164 -9.322 33.596 1.00 0.00 O ATOM 1299 CB PRO B 30 96.428 -7.386 34.772 1.00 0.00 C ATOM 1300 CG PRO B 30 97.853 -6.922 34.835 1.00 0.00 C ATOM 1301 CD PRO B 30 98.525 -7.358 33.521 1.00 0.00 C ATOM 0 HA PRO B 30 96.556 -9.560 34.367 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.777 -6.604 34.381 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.055 -7.646 35.762 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.902 -5.839 34.953 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.364 -7.359 35.693 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.675 -6.511 32.852 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.506 -7.797 33.704 1.00 0.00 H new ATOM 1309 N VAL B 31 94.996 -8.159 31.930 1.00 0.00 N ATOM 1310 CA VAL B 31 93.702 -8.233 31.193 1.00 0.00 C ATOM 1311 C VAL B 31 93.324 -9.690 30.916 1.00 0.00 C ATOM 1312 O VAL B 31 92.222 -10.118 31.192 1.00 0.00 O ATOM 1313 CB VAL B 31 93.825 -7.483 29.855 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.599 -7.772 28.968 1.00 0.00 C ATOM 1315 CG2 VAL B 31 93.916 -5.976 30.123 1.00 0.00 C ATOM 0 H VAL B 31 95.742 -7.649 31.457 1.00 0.00 H new ATOM 0 HA VAL B 31 92.927 -7.774 31.808 1.00 0.00 H new ATOM 0 HB VAL B 31 94.724 -7.822 29.339 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.698 -7.236 28.024 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.536 -8.842 28.772 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.694 -7.443 29.479 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.003 -5.443 29.176 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.018 -5.644 30.645 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.791 -5.768 30.739 1.00 0.00 H new ATOM 1325 N VAL B 32 94.223 -10.451 30.370 1.00 0.00 N ATOM 1326 CA VAL B 32 93.902 -11.871 30.073 1.00 0.00 C ATOM 1327 C VAL B 32 93.949 -12.688 31.361 1.00 0.00 C ATOM 1328 O VAL B 32 93.155 -13.582 31.570 1.00 0.00 O ATOM 1329 CB VAL B 32 94.910 -12.429 29.076 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.573 -13.888 28.785 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.841 -11.624 27.777 1.00 0.00 C ATOM 0 H VAL B 32 95.165 -10.154 30.116 1.00 0.00 H new ATOM 0 HA VAL B 32 92.902 -11.931 29.644 1.00 0.00 H new ATOM 0 HB VAL B 32 95.914 -12.360 29.494 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.291 -14.292 28.072 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.617 -14.463 29.710 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.569 -13.953 28.365 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.562 -12.023 27.063 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.837 -11.695 27.358 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.074 -10.579 27.983 1.00 0.00 H new ATOM 1341 N ALA B 33 94.880 -12.396 32.226 1.00 0.00 N ATOM 1342 CA ALA B 33 94.974 -13.172 33.490 1.00 0.00 C ATOM 1343 C ALA B 33 93.666 -13.020 34.267 1.00 0.00 C ATOM 1344 O ALA B 33 93.051 -13.991 34.661 1.00 0.00 O ATOM 1345 CB ALA B 33 96.148 -12.635 34.319 1.00 0.00 C ATOM 0 H ALA B 33 95.575 -11.658 32.112 1.00 0.00 H new ATOM 0 HA ALA B 33 95.141 -14.227 33.275 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.225 -13.199 35.249 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.073 -12.742 33.752 1.00 0.00 H new ATOM 0 HB3 ALA B 33 95.982 -11.582 34.546 1.00 0.00 H new ATOM 1351 N LYS B 34 93.225 -11.814 34.468 1.00 0.00 N ATOM 1352 CA LYS B 34 91.941 -11.604 35.194 1.00 0.00 C ATOM 1353 C LYS B 34 90.792 -12.269 34.432 1.00 0.00 C ATOM 1354 O LYS B 34 89.899 -12.850 35.016 1.00 0.00 O ATOM 1355 CB LYS B 34 91.664 -10.107 35.323 1.00 0.00 C ATOM 1356 CG LYS B 34 92.643 -9.490 36.323 1.00 0.00 C ATOM 1357 CD LYS B 34 92.363 -7.993 36.449 1.00 0.00 C ATOM 1358 CE LYS B 34 93.288 -7.384 37.503 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.182 -5.898 37.457 1.00 0.00 N ATOM 0 H LYS B 34 93.696 -10.963 34.162 1.00 0.00 H new ATOM 0 HA LYS B 34 92.018 -12.049 36.186 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.766 -9.623 34.352 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.638 -9.944 35.654 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.541 -9.973 37.295 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.669 -9.653 35.992 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.517 -7.502 35.488 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.322 -7.830 36.727 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.017 -7.748 38.494 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.318 -7.692 37.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.811 -5.483 38.174 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.460 -5.559 36.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.201 -5.614 37.651 1.00 0.00 H new ATOM 1373 N GLU B 35 90.801 -12.173 33.131 1.00 0.00 N ATOM 1374 CA GLU B 35 89.701 -12.781 32.328 1.00 0.00 C ATOM 1375 C GLU B 35 89.658 -14.294 32.545 1.00 0.00 C ATOM 1376 O GLU B 35 88.598 -14.880 32.638 1.00 0.00 O ATOM 1377 CB GLU B 35 89.919 -12.482 30.842 1.00 0.00 C ATOM 1378 CG GLU B 35 88.698 -12.952 30.035 1.00 0.00 C ATOM 1379 CD GLU B 35 88.752 -14.470 29.830 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.841 -15.018 29.861 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.700 -15.059 29.649 1.00 0.00 O ATOM 0 H GLU B 35 91.523 -11.699 32.588 1.00 0.00 H new ATOM 0 HA GLU B 35 88.753 -12.351 32.651 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.075 -11.413 30.695 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.818 -12.987 30.487 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.781 -12.681 30.558 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.675 -12.448 29.069 1.00 0.00 H new ATOM 1388 N ILE B 36 90.789 -14.942 32.619 1.00 0.00 N ATOM 1389 CA ILE B 36 90.765 -16.418 32.822 1.00 0.00 C ATOM 1390 C ILE B 36 90.047 -16.699 34.141 1.00 0.00 C ATOM 1391 O ILE B 36 89.230 -17.592 34.241 1.00 0.00 O ATOM 1392 CB ILE B 36 92.201 -16.946 32.866 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.835 -16.791 31.480 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.198 -18.429 33.253 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.348 -16.991 31.586 1.00 0.00 C ATOM 0 H ILE B 36 91.715 -14.521 32.549 1.00 0.00 H new ATOM 0 HA ILE B 36 90.242 -16.917 32.006 1.00 0.00 H new ATOM 0 HB ILE B 36 92.771 -16.381 33.604 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.409 -17.519 30.790 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.615 -15.803 31.076 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.223 -18.799 33.283 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.741 -18.548 34.235 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.628 -18.996 32.517 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.800 -16.881 30.600 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.767 -16.246 32.262 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.557 -17.989 31.971 1.00 0.00 H new ATOM 1407 N VAL B 37 90.310 -15.903 35.139 1.00 0.00 N ATOM 1408 CA VAL B 37 89.610 -16.071 36.443 1.00 0.00 C ATOM 1409 C VAL B 37 88.137 -15.704 36.243 1.00 0.00 C ATOM 1410 O VAL B 37 87.244 -16.333 36.776 1.00 0.00 O ATOM 1411 CB VAL B 37 90.252 -15.145 37.486 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.376 -15.079 38.744 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.634 -15.696 37.856 1.00 0.00 C ATOM 0 H VAL B 37 90.984 -15.138 35.107 1.00 0.00 H new ATOM 0 HA VAL B 37 89.690 -17.100 36.795 1.00 0.00 H new ATOM 0 HB VAL B 37 90.348 -14.142 37.069 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.841 -14.420 39.477 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.391 -14.693 38.482 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.273 -16.078 39.168 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.099 -15.045 38.597 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.527 -16.699 38.270 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.260 -15.736 36.965 1.00 0.00 H new ATOM 1423 N ALA B 38 87.889 -14.676 35.478 1.00 0.00 N ATOM 1424 CA ALA B 38 86.489 -14.228 35.224 1.00 0.00 C ATOM 1425 C ALA B 38 85.671 -15.350 34.573 1.00 0.00 C ATOM 1426 O ALA B 38 84.461 -15.379 34.676 1.00 0.00 O ATOM 1427 CB ALA B 38 86.517 -13.014 34.291 1.00 0.00 C ATOM 0 H ALA B 38 88.606 -14.120 35.012 1.00 0.00 H new ATOM 0 HA ALA B 38 86.023 -13.965 36.174 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.498 -12.679 34.099 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.082 -12.208 34.759 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.991 -13.290 33.349 1.00 0.00 H new ATOM 1433 N SER B 39 86.307 -16.268 33.891 1.00 0.00 N ATOM 1434 CA SER B 39 85.538 -17.368 33.230 1.00 0.00 C ATOM 1435 C SER B 39 85.452 -18.571 34.169 1.00 0.00 C ATOM 1436 O SER B 39 84.458 -19.269 34.204 1.00 0.00 O ATOM 1437 CB SER B 39 86.251 -17.782 31.941 1.00 0.00 C ATOM 1438 OG SER B 39 86.243 -16.691 31.030 1.00 0.00 O ATOM 0 H SER B 39 87.318 -16.305 33.763 1.00 0.00 H new ATOM 0 HA SER B 39 84.533 -17.017 32.997 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.276 -18.082 32.159 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.754 -18.645 31.498 1.00 0.00 H new ATOM 0 HG SER B 39 87.165 -16.451 30.799 1.00 0.00 H new ATOM 1444 N CYS B 40 86.470 -18.809 34.946 1.00 0.00 N ATOM 1445 CA CYS B 40 86.416 -19.956 35.892 1.00 0.00 C ATOM 1446 C CYS B 40 85.236 -19.746 36.845 1.00 0.00 C ATOM 1447 O CYS B 40 85.064 -18.683 37.408 1.00 0.00 O ATOM 1448 CB CYS B 40 87.719 -20.027 36.688 1.00 0.00 C ATOM 1449 SG CYS B 40 87.715 -21.512 37.721 1.00 0.00 S ATOM 0 H CYS B 40 87.331 -18.263 34.967 1.00 0.00 H new ATOM 0 HA CYS B 40 86.288 -20.889 35.343 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.572 -20.046 36.009 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.826 -19.139 37.310 1.00 0.00 H new ATOM 1454 N ASP B 41 84.412 -20.741 37.017 1.00 0.00 N ATOM 1455 CA ASP B 41 83.230 -20.588 37.918 1.00 0.00 C ATOM 1456 C ASP B 41 83.650 -20.667 39.391 1.00 0.00 C ATOM 1457 O ASP B 41 83.077 -20.015 40.241 1.00 0.00 O ATOM 1458 CB ASP B 41 82.220 -21.698 37.623 1.00 0.00 C ATOM 1459 CG ASP B 41 81.575 -21.458 36.258 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.541 -20.314 35.833 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.123 -22.421 35.661 1.00 0.00 O ATOM 0 H ASP B 41 84.504 -21.655 36.574 1.00 0.00 H new ATOM 0 HA ASP B 41 82.781 -19.612 37.735 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.717 -22.668 37.636 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.454 -21.722 38.399 1.00 0.00 H new ATOM 1466 N LYS B 42 84.621 -21.478 39.706 1.00 0.00 N ATOM 1467 CA LYS B 42 85.044 -21.617 41.133 1.00 0.00 C ATOM 1468 C LYS B 42 85.746 -20.345 41.618 1.00 0.00 C ATOM 1469 O LYS B 42 85.555 -19.913 42.739 1.00 0.00 O ATOM 1470 CB LYS B 42 86.008 -22.799 41.250 1.00 0.00 C ATOM 1471 CG LYS B 42 85.252 -24.104 40.993 1.00 0.00 C ATOM 1472 CD LYS B 42 86.217 -25.287 41.112 1.00 0.00 C ATOM 1473 CE LYS B 42 85.463 -26.593 40.854 1.00 0.00 C ATOM 1474 NZ LYS B 42 86.440 -27.696 40.630 1.00 0.00 N ATOM 0 H LYS B 42 85.141 -22.051 39.041 1.00 0.00 H new ATOM 0 HA LYS B 42 84.160 -21.782 41.749 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.821 -22.691 40.532 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.459 -22.817 42.242 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.438 -24.212 41.710 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.802 -24.086 40.000 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.032 -25.178 40.396 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.666 -25.305 42.105 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.821 -26.828 41.703 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.815 -26.485 39.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.927 -28.584 40.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.035 -27.471 39.807 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.041 -27.804 41.472 1.00 0.00 H new ATOM 1488 N CYS B 43 86.566 -19.744 40.798 1.00 0.00 N ATOM 1489 CA CYS B 43 87.285 -18.507 41.232 1.00 0.00 C ATOM 1490 C CYS B 43 86.405 -17.274 40.999 1.00 0.00 C ATOM 1491 O CYS B 43 86.791 -16.162 41.299 1.00 0.00 O ATOM 1492 CB CYS B 43 88.589 -18.366 40.447 1.00 0.00 C ATOM 1493 SG CYS B 43 89.636 -19.813 40.751 1.00 0.00 S ATOM 0 H CYS B 43 86.770 -20.054 39.848 1.00 0.00 H new ATOM 0 HA CYS B 43 87.510 -18.584 42.296 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.377 -18.275 39.382 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.110 -17.457 40.747 1.00 0.00 H new ATOM 1498 N GLN B 44 85.228 -17.457 40.464 1.00 0.00 N ATOM 1499 CA GLN B 44 84.337 -16.286 40.211 1.00 0.00 C ATOM 1500 C GLN B 44 83.847 -15.719 41.544 1.00 0.00 C ATOM 1501 O GLN B 44 84.052 -14.562 41.854 1.00 0.00 O ATOM 1502 CB GLN B 44 83.134 -16.738 39.378 1.00 0.00 C ATOM 1503 CG GLN B 44 82.305 -15.523 38.953 1.00 0.00 C ATOM 1504 CD GLN B 44 83.096 -14.695 37.939 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.188 -13.406 38.100 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.634 -15.229 36.989 1.00 0.00 N flip ATOM 0 H GLN B 44 84.845 -18.362 40.192 1.00 0.00 H new ATOM 0 HA GLN B 44 84.890 -15.517 39.671 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.475 -17.282 38.497 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.517 -17.425 39.958 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.361 -15.848 38.515 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.060 -14.914 39.823 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.562 -16.239 36.863 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.158 -14.668 36.318 1.00 0.00 H new ATOM 1515 N LEU B 45 83.200 -16.526 42.335 1.00 0.00 N ATOM 1516 CA LEU B 45 82.694 -16.043 43.653 1.00 0.00 C ATOM 1517 C LEU B 45 83.799 -16.174 44.704 1.00 0.00 C ATOM 1518 O LEU B 45 84.591 -17.095 44.675 1.00 0.00 O ATOM 1519 CB LEU B 45 81.486 -16.887 44.073 1.00 0.00 C ATOM 1520 CG LEU B 45 80.363 -16.747 43.036 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.190 -17.641 43.451 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.897 -15.277 42.949 1.00 0.00 C ATOM 0 H LEU B 45 82.998 -17.504 42.127 1.00 0.00 H new ATOM 0 HA LEU B 45 82.397 -14.998 43.569 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.778 -17.933 44.167 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.130 -16.566 45.052 1.00 0.00 H new ATOM 0 HG LEU B 45 80.732 -17.052 42.057 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.386 -17.549 42.721 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.522 -18.678 43.497 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.827 -17.333 44.431 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.100 -15.191 42.210 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.526 -14.955 43.922 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.736 -14.646 42.654 1.00 0.00 H new ATOM 1534 N LYS B 46 83.855 -15.259 45.631 1.00 0.00 N ATOM 1535 CA LYS B 46 84.906 -15.324 46.687 1.00 0.00 C ATOM 1536 C LYS B 46 84.611 -16.499 47.620 1.00 0.00 C ATOM 1537 O LYS B 46 85.501 -17.204 48.052 1.00 0.00 O ATOM 1538 CB LYS B 46 84.888 -14.022 47.491 1.00 0.00 C ATOM 1539 CG LYS B 46 85.982 -14.051 48.563 1.00 0.00 C ATOM 1540 CD LYS B 46 85.944 -12.745 49.356 1.00 0.00 C ATOM 1541 CE LYS B 46 86.941 -12.822 50.512 1.00 0.00 C ATOM 1542 NZ LYS B 46 86.556 -13.937 51.423 1.00 0.00 N ATOM 0 H LYS B 46 83.217 -14.467 45.704 1.00 0.00 H new ATOM 0 HA LYS B 46 85.885 -15.460 46.227 1.00 0.00 H new ATOM 0 HB2 LYS B 46 85.042 -13.172 46.826 1.00 0.00 H new ATOM 0 HB3 LYS B 46 83.913 -13.888 47.959 1.00 0.00 H new ATOM 0 HG2 LYS B 46 85.832 -14.900 49.230 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.960 -14.180 48.098 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.189 -11.905 48.706 1.00 0.00 H new ATOM 0 HD3 LYS B 46 84.939 -12.569 49.739 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.948 -12.983 50.128 1.00 0.00 H new ATOM 0 HE3 LYS B 46 86.955 -11.879 51.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 86.955 -13.766 52.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 85.519 -13.989 51.489 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 86.925 -14.834 51.048 1.00 0.00 H new ATOM 1556 N GLY B 47 83.366 -16.705 47.942 1.00 0.00 N ATOM 1557 CA GLY B 47 83.000 -17.825 48.855 1.00 0.00 C ATOM 1558 C GLY B 47 81.637 -17.535 49.482 1.00 0.00 C ATOM 1559 O GLY B 47 80.613 -17.639 48.837 1.00 0.00 O ATOM 0 H GLY B 47 82.581 -16.144 47.611 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.968 -18.764 48.303 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.755 -17.938 49.633 1.00 0.00 H new ATOM 1563 N GLU B 48 81.612 -17.165 50.734 1.00 0.00 N ATOM 1564 CA GLU B 48 80.309 -16.862 51.396 1.00 0.00 C ATOM 1565 C GLU B 48 79.935 -15.403 51.119 1.00 0.00 C ATOM 1566 O GLU B 48 80.481 -14.490 51.705 1.00 0.00 O ATOM 1567 CB GLU B 48 80.444 -17.083 52.905 1.00 0.00 C ATOM 1568 CG GLU B 48 80.762 -18.558 53.180 1.00 0.00 C ATOM 1569 CD GLU B 48 82.241 -18.837 52.887 1.00 0.00 C ATOM 1570 OE1 GLU B 48 82.978 -17.886 52.683 1.00 0.00 O ATOM 1571 OE2 GLU B 48 82.607 -20.000 52.857 1.00 0.00 O ATOM 0 H GLU B 48 82.435 -17.059 51.327 1.00 0.00 H new ATOM 0 HA GLU B 48 79.532 -17.518 51.004 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.234 -16.449 53.307 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.520 -16.799 53.409 1.00 0.00 H new ATOM 0 HG2 GLU B 48 80.536 -18.800 54.218 1.00 0.00 H new ATOM 0 HG3 GLU B 48 80.133 -19.196 52.560 1.00 0.00 H new ATOM 1578 N ALA B 49 79.014 -15.180 50.222 1.00 0.00 N ATOM 1579 CA ALA B 49 78.606 -13.782 49.896 1.00 0.00 C ATOM 1580 C ALA B 49 77.634 -13.256 50.957 1.00 0.00 C ATOM 1581 O ALA B 49 77.311 -12.086 50.986 1.00 0.00 O ATOM 1582 CB ALA B 49 77.933 -13.756 48.521 1.00 0.00 C ATOM 0 H ALA B 49 78.525 -15.906 49.699 1.00 0.00 H new ATOM 0 HA ALA B 49 79.490 -13.145 49.882 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.634 -12.735 48.281 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.633 -14.116 47.767 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.052 -14.398 48.535 1.00 0.00 H new ATOM 1588 N MET B 50 77.159 -14.109 51.825 1.00 0.00 N ATOM 1589 CA MET B 50 76.205 -13.647 52.875 1.00 0.00 C ATOM 1590 C MET B 50 76.977 -12.941 53.996 1.00 0.00 C ATOM 1591 O MET B 50 77.963 -13.444 54.497 1.00 0.00 O ATOM 1592 CB MET B 50 75.443 -14.852 53.438 1.00 0.00 C ATOM 1593 CG MET B 50 76.404 -15.770 54.200 1.00 0.00 C ATOM 1594 SD MET B 50 75.571 -17.330 54.584 1.00 0.00 S ATOM 1595 CE MET B 50 75.990 -18.196 53.053 1.00 0.00 C ATOM 0 H MET B 50 77.389 -15.102 51.853 1.00 0.00 H new ATOM 0 HA MET B 50 75.493 -12.946 52.440 1.00 0.00 H new ATOM 0 HB2 MET B 50 74.648 -14.512 54.102 1.00 0.00 H new ATOM 0 HB3 MET B 50 74.967 -15.403 52.627 1.00 0.00 H new ATOM 0 HG2 MET B 50 77.295 -15.959 53.601 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.734 -15.286 55.119 1.00 0.00 H new ATOM 0 HE1 MET B 50 75.567 -19.200 53.076 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.582 -17.650 52.203 1.00 0.00 H new ATOM 0 HE3 MET B 50 77.074 -18.261 52.957 1.00 0.00 H new ATOM 1605 N HIS B 51 76.539 -11.773 54.391 1.00 0.00 N ATOM 1606 CA HIS B 51 77.249 -11.032 55.480 1.00 0.00 C ATOM 1607 C HIS B 51 76.664 -11.416 56.843 1.00 0.00 C ATOM 1608 O HIS B 51 77.108 -10.946 57.870 1.00 0.00 O ATOM 1609 CB HIS B 51 77.094 -9.526 55.259 1.00 0.00 C ATOM 1610 CG HIS B 51 77.903 -9.114 54.060 1.00 0.00 C ATOM 1611 ND1 HIS B 51 79.286 -9.243 54.023 1.00 0.00 N ATOM 1612 CD2 HIS B 51 77.546 -8.573 52.850 1.00 0.00 C ATOM 1613 CE1 HIS B 51 79.704 -8.790 52.828 1.00 0.00 C ATOM 1614 NE2 HIS B 51 78.684 -8.372 52.078 1.00 0.00 N ATOM 0 H HIS B 51 75.721 -11.300 54.008 1.00 0.00 H new ATOM 0 HA HIS B 51 78.307 -11.295 55.461 1.00 0.00 H new ATOM 0 HB2 HIS B 51 76.044 -9.275 55.107 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.428 -8.981 56.142 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.537 -8.340 52.545 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.737 -8.768 52.515 1.00 0.00 H new ATOM 0 HE2 HIS B 51 78.729 -7.986 51.135 1.00 0.00 H new ATOM 1623 N GLY B 52 75.678 -12.269 56.862 1.00 0.00 N ATOM 1624 CA GLY B 52 75.077 -12.681 58.164 1.00 0.00 C ATOM 1625 C GLY B 52 74.242 -11.535 58.741 1.00 0.00 C ATOM 1626 O GLY B 52 73.821 -10.642 58.033 1.00 0.00 O ATOM 0 H GLY B 52 75.262 -12.698 56.035 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.451 -13.562 58.023 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.864 -12.958 58.866 1.00 0.00 H new ATOM 1630 N GLN B 53 73.990 -11.558 60.024 1.00 0.00 N ATOM 1631 CA GLN B 53 73.174 -10.474 60.644 1.00 0.00 C ATOM 1632 C GLN B 53 74.052 -9.247 60.900 1.00 0.00 C ATOM 1633 O GLN B 53 75.174 -9.353 61.356 1.00 0.00 O ATOM 1634 CB GLN B 53 72.586 -10.961 61.971 1.00 0.00 C ATOM 1635 CG GLN B 53 71.534 -12.040 61.700 1.00 0.00 C ATOM 1636 CD GLN B 53 70.947 -12.527 63.027 1.00 0.00 C ATOM 1637 OE1 GLN B 53 71.621 -12.534 64.038 1.00 0.00 O ATOM 1638 NE2 GLN B 53 69.707 -12.936 63.066 1.00 0.00 N ATOM 0 H GLN B 53 74.314 -12.280 60.668 1.00 0.00 H new ATOM 0 HA GLN B 53 72.365 -10.207 59.965 1.00 0.00 H new ATOM 0 HB2 GLN B 53 73.377 -11.361 62.606 1.00 0.00 H new ATOM 0 HB3 GLN B 53 72.136 -10.127 62.509 1.00 0.00 H new ATOM 0 HG2 GLN B 53 70.743 -11.640 61.065 1.00 0.00 H new ATOM 0 HG3 GLN B 53 71.984 -12.874 61.161 1.00 0.00 H new ATOM 0 HE21 GLN B 53 69.141 -12.930 62.217 1.00 0.00 H new ATOM 0 HE22 GLN B 53 69.305 -13.261 63.945 1.00 0.00 H new ATOM 1647 N VAL B 54 73.542 -8.077 60.611 1.00 0.00 N ATOM 1648 CA VAL B 54 74.327 -6.823 60.830 1.00 0.00 C ATOM 1649 C VAL B 54 73.853 -6.154 62.125 1.00 0.00 C ATOM 1650 O VAL B 54 72.686 -5.857 62.287 1.00 0.00 O ATOM 1651 CB VAL B 54 74.092 -5.879 59.648 1.00 0.00 C ATOM 1652 CG1 VAL B 54 74.974 -4.638 59.796 1.00 0.00 C ATOM 1653 CG2 VAL B 54 74.438 -6.601 58.342 1.00 0.00 C ATOM 0 H VAL B 54 72.607 -7.935 60.229 1.00 0.00 H new ATOM 0 HA VAL B 54 75.389 -7.054 60.909 1.00 0.00 H new ATOM 0 HB VAL B 54 73.045 -5.576 59.630 1.00 0.00 H new ATOM 0 HG11 VAL B 54 74.804 -3.968 58.953 1.00 0.00 H new ATOM 0 HG12 VAL B 54 74.725 -4.123 60.724 1.00 0.00 H new ATOM 0 HG13 VAL B 54 76.022 -4.937 59.817 1.00 0.00 H new ATOM 0 HG21 VAL B 54 74.271 -5.930 57.500 1.00 0.00 H new ATOM 0 HG22 VAL B 54 75.484 -6.906 58.361 1.00 0.00 H new ATOM 0 HG23 VAL B 54 73.805 -7.482 58.235 1.00 0.00 H new ATOM 1663 N ASP B 55 74.746 -5.915 63.051 1.00 0.00 N ATOM 1664 CA ASP B 55 74.338 -5.267 64.335 1.00 0.00 C ATOM 1665 C ASP B 55 74.388 -3.745 64.179 1.00 0.00 C ATOM 1666 O ASP B 55 73.907 -3.062 65.068 1.00 0.00 O ATOM 1667 CB ASP B 55 75.294 -5.689 65.455 1.00 0.00 C ATOM 1668 CG ASP B 55 75.075 -7.165 65.793 1.00 0.00 C ATOM 1669 OD1 ASP B 55 74.051 -7.698 65.399 1.00 0.00 O ATOM 1670 OD2 ASP B 55 75.937 -7.739 66.440 1.00 0.00 O ATOM 1671 OXT ASP B 55 74.903 -3.289 63.173 1.00 0.00 O ATOM 0 H ASP B 55 75.738 -6.140 62.974 1.00 0.00 H new ATOM 0 HA ASP B 55 73.324 -5.578 64.585 1.00 0.00 H new ATOM 0 HB2 ASP B 55 76.326 -5.526 65.145 1.00 0.00 H new ATOM 0 HB3 ASP B 55 75.126 -5.075 66.340 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 80.019 -1.937 35.823 1.00 0.00 CD HETATM 1678 CD CD B 56 90.067 -21.366 38.716 1.00 0.00 CD