USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.564 (180deg=0.171) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= 0.111 (180deg=-0.912!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.444 USER MOD Single : A 17 SER OG : rot -101:sc= -0.175 USER MOD Single : A 18 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.6!) USER MOD Single : A 22 MET CE :methyl -165:sc= -0.588 (180deg=-1.53) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.3!) USER MOD Single : A 34 LYS NZ :NH3+ 143:sc= -2.83! (180deg=-4.32!) USER MOD Single : A 39 SER OG : rot 107:sc= 0.0466 USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.126 (180deg=-0.882) USER MOD Single : A 44 GLN : amide:sc= -1.72! C(o=-1.7!,f=-3.2!) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc=-0.00269 (180deg=-0.177) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 53 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.46) USER MOD Single : B 1 PHE N :NH3+ 156:sc= 0.565 (180deg=0.161) USER MOD Single : B 7 LYS NZ :NH3+ -158:sc= 0.128 (180deg=-0.813!) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.392 USER MOD Single : B 17 SER OG : rot 165:sc= -0.566 USER MOD Single : B 18 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.6!) USER MOD Single : B 22 MET CE :methyl -167:sc= -0.601 (180deg=-1.5) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.4!) USER MOD Single : B 34 LYS NZ :NH3+ 144:sc= -3.03! (180deg=-4.9!) USER MOD Single : B 39 SER OG : rot 103:sc= 0.0382 USER MOD Single : B 42 LYS NZ :NH3+ 156:sc= -0.0956 (180deg=-0.744) USER MOD Single : B 44 GLN :FLIP amide:sc= -1.85! C(o=-3.2!,f=-1.9!) USER MOD Single : B 46 LYS NZ :NH3+ 164:sc= -0.0023 (180deg=-0.133) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : B 53 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.830 -3.864 23.856 1.00 0.00 N ATOM 2 CA PHE A 1 94.248 -4.379 25.127 1.00 0.00 C ATOM 3 C PHE A 1 93.876 -3.214 26.049 1.00 0.00 C ATOM 4 O PHE A 1 92.717 -2.908 26.245 1.00 0.00 O ATOM 5 CB PHE A 1 95.272 -5.271 25.840 1.00 0.00 C ATOM 6 CG PHE A 1 95.409 -6.585 25.112 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.316 -6.702 24.052 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.640 -7.691 25.502 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.452 -7.920 23.381 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.778 -8.912 24.827 1.00 0.00 C ATOM 11 CZ PHE A 1 95.684 -9.025 23.767 1.00 0.00 C ATOM 0 H1 PHE A 1 95.498 -4.562 23.472 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.068 -3.699 23.167 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.330 -2.971 24.040 1.00 0.00 H new ATOM 0 HA PHE A 1 93.353 -4.955 24.892 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.238 -4.767 25.883 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.959 -5.447 26.869 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.910 -5.851 23.753 1.00 0.00 H new ATOM 0 HD2 PHE A 1 93.942 -7.602 26.321 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.151 -8.009 22.563 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.186 -9.764 25.125 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.791 -9.965 23.246 1.00 0.00 H new ATOM 23 N LEU A 2 94.852 -2.586 26.644 1.00 0.00 N ATOM 24 CA LEU A 2 94.567 -1.469 27.584 1.00 0.00 C ATOM 25 C LEU A 2 94.072 -0.221 26.833 1.00 0.00 C ATOM 26 O LEU A 2 93.245 0.515 27.332 1.00 0.00 O ATOM 27 CB LEU A 2 95.853 -1.134 28.357 1.00 0.00 C ATOM 28 CG LEU A 2 96.514 -2.424 28.872 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.646 -2.068 29.844 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.474 -3.278 29.596 1.00 0.00 C ATOM 0 H LEU A 2 95.841 -2.801 26.518 1.00 0.00 H new ATOM 0 HA LEU A 2 93.780 -1.779 28.272 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.545 -0.595 27.710 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.622 -0.476 29.194 1.00 0.00 H new ATOM 0 HG LEU A 2 96.920 -2.983 28.029 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.114 -2.983 30.208 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.390 -1.460 29.329 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.240 -1.508 30.686 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.943 -4.192 29.960 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.066 -2.719 30.438 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.669 -3.534 28.907 1.00 0.00 H new ATOM 42 N ASP A 3 94.575 0.041 25.657 1.00 0.00 N ATOM 43 CA ASP A 3 94.129 1.263 24.920 1.00 0.00 C ATOM 44 C ASP A 3 92.633 1.186 24.600 1.00 0.00 C ATOM 45 O ASP A 3 91.871 2.092 24.896 1.00 0.00 O ATOM 46 CB ASP A 3 94.909 1.383 23.609 1.00 0.00 C ATOM 47 CG ASP A 3 96.385 1.653 23.902 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.706 1.893 25.055 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.168 1.613 22.967 1.00 0.00 O ATOM 0 H ASP A 3 95.269 -0.531 25.176 1.00 0.00 H new ATOM 0 HA ASP A 3 94.315 2.132 25.551 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.807 0.465 23.030 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.496 2.190 23.003 1.00 0.00 H new ATOM 54 N GLY A 4 92.205 0.117 23.994 1.00 0.00 N ATOM 55 CA GLY A 4 90.762 -0.012 23.646 1.00 0.00 C ATOM 56 C GLY A 4 89.922 -0.075 24.923 1.00 0.00 C ATOM 57 O GLY A 4 88.900 0.569 25.033 1.00 0.00 O ATOM 0 H GLY A 4 92.790 -0.674 23.724 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.449 0.835 23.036 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.602 -0.910 23.050 1.00 0.00 H new ATOM 61 N ILE A 5 90.340 -0.850 25.884 1.00 0.00 N ATOM 62 CA ILE A 5 89.554 -0.962 27.143 1.00 0.00 C ATOM 63 C ILE A 5 89.423 0.396 27.827 1.00 0.00 C ATOM 64 O ILE A 5 88.384 0.722 28.368 1.00 0.00 O ATOM 65 CB ILE A 5 90.252 -1.941 28.083 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.171 -3.347 27.473 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.559 -1.935 29.450 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.152 -4.303 28.164 1.00 0.00 C ATOM 0 H ILE A 5 91.192 -1.410 25.852 1.00 0.00 H new ATOM 0 HA ILE A 5 88.554 -1.322 26.900 1.00 0.00 H new ATOM 0 HB ILE A 5 91.294 -1.648 28.214 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.155 -3.731 27.568 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.395 -3.298 26.407 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.062 -2.636 30.116 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.604 -0.933 29.876 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.517 -2.232 29.331 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.075 -5.292 27.713 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.169 -3.929 28.046 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.910 -4.368 29.225 1.00 0.00 H new ATOM 80 N ASP A 6 90.458 1.189 27.826 1.00 0.00 N ATOM 81 CA ASP A 6 90.360 2.507 28.503 1.00 0.00 C ATOM 82 C ASP A 6 89.171 3.269 27.932 1.00 0.00 C ATOM 83 O ASP A 6 88.371 3.821 28.660 1.00 0.00 O ATOM 84 CB ASP A 6 91.644 3.301 28.275 1.00 0.00 C ATOM 85 CG ASP A 6 92.791 2.638 29.043 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.506 1.850 29.928 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.933 2.929 28.730 1.00 0.00 O ATOM 0 H ASP A 6 91.357 0.983 27.390 1.00 0.00 H new ATOM 0 HA ASP A 6 90.222 2.362 29.574 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.878 3.339 27.211 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.513 4.330 28.610 1.00 0.00 H new ATOM 92 N LYS A 7 89.025 3.289 26.640 1.00 0.00 N ATOM 93 CA LYS A 7 87.855 3.999 26.054 1.00 0.00 C ATOM 94 C LYS A 7 86.578 3.229 26.378 1.00 0.00 C ATOM 95 O LYS A 7 85.570 3.799 26.748 1.00 0.00 O ATOM 96 CB LYS A 7 88.012 4.083 24.540 1.00 0.00 C ATOM 97 CG LYS A 7 89.242 4.933 24.190 1.00 0.00 C ATOM 98 CD LYS A 7 89.272 5.236 22.680 1.00 0.00 C ATOM 99 CE LYS A 7 89.704 3.990 21.898 1.00 0.00 C ATOM 100 NZ LYS A 7 91.020 3.513 22.411 1.00 0.00 N ATOM 0 H LYS A 7 89.656 2.851 25.969 1.00 0.00 H new ATOM 0 HA LYS A 7 87.799 5.003 26.474 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.119 3.083 24.120 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.118 4.521 24.096 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.220 5.865 24.754 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.151 4.406 24.480 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.286 5.559 22.347 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.961 6.057 22.480 1.00 0.00 H new ATOM 0 HE2 LYS A 7 88.955 3.205 22.001 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.778 4.222 20.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.472 2.907 21.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.632 4.330 22.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.875 2.969 23.285 1.00 0.00 H new ATOM 114 N ALA A 8 86.611 1.932 26.237 1.00 0.00 N ATOM 115 CA ALA A 8 85.400 1.123 26.537 1.00 0.00 C ATOM 116 C ALA A 8 85.084 1.208 28.033 1.00 0.00 C ATOM 117 O ALA A 8 83.937 1.189 28.434 1.00 0.00 O ATOM 118 CB ALA A 8 85.643 -0.334 26.136 1.00 0.00 C ATOM 0 H ALA A 8 87.424 1.400 25.927 1.00 0.00 H new ATOM 0 HA ALA A 8 84.554 1.512 25.971 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.754 -0.925 26.357 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.858 -0.387 25.069 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.490 -0.729 26.697 1.00 0.00 H new ATOM 124 N GLN A 9 86.090 1.293 28.867 1.00 0.00 N ATOM 125 CA GLN A 9 85.828 1.370 30.332 1.00 0.00 C ATOM 126 C GLN A 9 84.938 2.581 30.613 1.00 0.00 C ATOM 127 O GLN A 9 84.008 2.510 31.394 1.00 0.00 O ATOM 128 CB GLN A 9 87.153 1.519 31.091 1.00 0.00 C ATOM 129 CG GLN A 9 86.932 1.252 32.582 1.00 0.00 C ATOM 130 CD GLN A 9 88.262 1.404 33.329 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.190 2.004 32.823 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.396 0.889 34.523 1.00 0.00 N ATOM 0 H GLN A 9 87.073 1.312 28.597 1.00 0.00 H new ATOM 0 HA GLN A 9 85.330 0.459 30.663 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.890 0.822 30.693 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.553 2.523 30.948 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.196 1.949 32.982 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.533 0.248 32.728 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.619 0.385 34.951 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.277 0.991 35.027 1.00 0.00 H new ATOM 141 N GLU A 10 85.209 3.690 29.976 1.00 0.00 N ATOM 142 CA GLU A 10 84.367 4.898 30.201 1.00 0.00 C ATOM 143 C GLU A 10 82.934 4.595 29.766 1.00 0.00 C ATOM 144 O GLU A 10 81.984 4.974 30.420 1.00 0.00 O ATOM 145 CB GLU A 10 84.920 6.063 29.379 1.00 0.00 C ATOM 146 CG GLU A 10 84.217 7.360 29.791 1.00 0.00 C ATOM 147 CD GLU A 10 84.749 8.518 28.944 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.616 8.272 28.119 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.293 9.632 29.142 1.00 0.00 O ATOM 0 H GLU A 10 85.974 3.810 29.312 1.00 0.00 H new ATOM 0 HA GLU A 10 84.379 5.167 31.257 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.995 6.154 29.536 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.767 5.876 28.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.140 7.261 29.656 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.389 7.560 30.849 1.00 0.00 H new ATOM 156 N GLU A 11 82.774 3.903 28.667 1.00 0.00 N ATOM 157 CA GLU A 11 81.403 3.559 28.194 1.00 0.00 C ATOM 158 C GLU A 11 80.715 2.706 29.254 1.00 0.00 C ATOM 159 O GLU A 11 79.544 2.869 29.532 1.00 0.00 O ATOM 160 CB GLU A 11 81.505 2.765 26.886 1.00 0.00 C ATOM 161 CG GLU A 11 80.104 2.498 26.315 1.00 0.00 C ATOM 162 CD GLU A 11 79.431 1.349 27.076 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.136 0.595 27.728 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.218 1.243 26.990 1.00 0.00 O ATOM 0 H GLU A 11 83.534 3.562 28.078 1.00 0.00 H new ATOM 0 HA GLU A 11 80.828 4.469 28.022 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.101 3.320 26.161 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.019 1.820 27.065 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.495 3.399 26.390 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.176 2.249 25.256 1.00 0.00 H new ATOM 171 N HIS A 12 81.440 1.795 29.846 1.00 0.00 N ATOM 172 CA HIS A 12 80.836 0.927 30.891 1.00 0.00 C ATOM 173 C HIS A 12 80.375 1.773 32.078 1.00 0.00 C ATOM 174 O HIS A 12 79.288 1.605 32.584 1.00 0.00 O ATOM 175 CB HIS A 12 81.856 -0.094 31.385 1.00 0.00 C ATOM 176 CG HIS A 12 81.156 -0.997 32.349 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.834 -2.323 32.040 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.607 -0.748 33.580 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.106 -2.811 33.066 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.956 -1.881 34.000 1.00 0.00 N ATOM 0 H HIS A 12 82.425 1.616 29.649 1.00 0.00 H new ATOM 0 HA HIS A 12 79.982 0.410 30.452 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.262 -0.665 30.550 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.696 0.406 31.868 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.100 -2.828 31.195 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.675 0.181 34.126 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.704 -3.812 33.119 1.00 0.00 H new ATOM 188 N GLU A 13 81.201 2.669 32.535 1.00 0.00 N ATOM 189 CA GLU A 13 80.818 3.518 33.699 1.00 0.00 C ATOM 190 C GLU A 13 79.569 4.347 33.375 1.00 0.00 C ATOM 191 O GLU A 13 78.687 4.502 34.197 1.00 0.00 O ATOM 192 CB GLU A 13 81.980 4.462 34.028 1.00 0.00 C ATOM 193 CG GLU A 13 81.694 5.183 35.345 1.00 0.00 C ATOM 194 CD GLU A 13 82.806 6.194 35.625 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.817 6.136 34.944 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.625 7.016 36.508 1.00 0.00 O ATOM 0 H GLU A 13 82.129 2.852 32.153 1.00 0.00 H new ATOM 0 HA GLU A 13 80.598 2.875 34.551 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.910 3.898 34.104 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.112 5.187 33.225 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.731 5.691 35.292 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.630 4.462 36.160 1.00 0.00 H new ATOM 203 N LYS A 14 79.505 4.905 32.199 1.00 0.00 N ATOM 204 CA LYS A 14 78.339 5.757 31.827 1.00 0.00 C ATOM 205 C LYS A 14 77.021 4.976 31.807 1.00 0.00 C ATOM 206 O LYS A 14 75.968 5.550 32.018 1.00 0.00 O ATOM 207 CB LYS A 14 78.568 6.361 30.440 1.00 0.00 C ATOM 208 CG LYS A 14 79.741 7.348 30.486 1.00 0.00 C ATOM 209 CD LYS A 14 80.031 7.876 29.067 1.00 0.00 C ATOM 210 CE LYS A 14 78.970 8.900 28.648 1.00 0.00 C ATOM 211 NZ LYS A 14 79.444 9.636 27.442 1.00 0.00 N ATOM 0 H LYS A 14 80.215 4.807 31.473 1.00 0.00 H new ATOM 0 HA LYS A 14 78.258 6.535 32.586 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.775 5.570 29.719 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.666 6.871 30.103 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.505 8.178 31.152 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.626 6.857 30.890 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.019 8.335 29.038 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.044 7.047 28.360 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.027 8.397 28.434 1.00 0.00 H new ATOM 0 HE3 LYS A 14 78.780 9.598 29.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.726 10.332 27.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.334 10.127 27.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.604 8.963 26.665 1.00 0.00 H new ATOM 225 N TYR A 15 77.040 3.698 31.496 1.00 0.00 N ATOM 226 CA TYR A 15 75.739 2.943 31.401 1.00 0.00 C ATOM 227 C TYR A 15 75.826 1.521 31.983 1.00 0.00 C ATOM 228 O TYR A 15 74.842 0.809 32.005 1.00 0.00 O ATOM 229 CB TYR A 15 75.365 2.829 29.916 1.00 0.00 C ATOM 230 CG TYR A 15 75.553 4.165 29.220 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.531 5.120 29.255 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.748 4.445 28.533 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.698 6.353 28.608 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.912 5.678 27.888 1.00 0.00 C ATOM 235 CZ TYR A 15 75.889 6.632 27.924 1.00 0.00 C ATOM 236 OH TYR A 15 76.056 7.848 27.281 1.00 0.00 O ATOM 0 H TYR A 15 77.880 3.152 31.307 1.00 0.00 H new ATOM 0 HA TYR A 15 74.995 3.490 31.980 1.00 0.00 H new ATOM 0 HB2 TYR A 15 75.984 2.071 29.436 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.329 2.504 29.819 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.612 4.907 29.781 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.539 3.710 28.503 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.908 7.089 28.637 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.830 5.893 27.362 1.00 0.00 H new ATOM 0 HH TYR A 15 75.543 8.539 27.750 1.00 0.00 H new ATOM 246 N HIS A 16 76.977 1.073 32.400 1.00 0.00 N ATOM 247 CA HIS A 16 77.087 -0.326 32.916 1.00 0.00 C ATOM 248 C HIS A 16 76.542 -1.250 31.831 1.00 0.00 C ATOM 249 O HIS A 16 75.757 -2.144 32.084 1.00 0.00 O ATOM 250 CB HIS A 16 76.281 -0.524 34.213 1.00 0.00 C ATOM 251 CG HIS A 16 76.932 0.182 35.380 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.003 -0.339 36.096 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.639 1.368 36.018 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.318 0.490 37.099 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.512 1.554 37.098 1.00 0.00 N ATOM 0 H HIS A 16 77.844 1.610 32.407 1.00 0.00 H new ATOM 0 HA HIS A 16 78.129 -0.546 33.150 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.268 -0.145 34.075 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.196 -1.589 34.431 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.854 2.051 35.729 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.113 0.321 37.810 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.528 2.339 37.748 1.00 0.00 H new ATOM 263 N SER A 17 76.941 -1.008 30.612 1.00 0.00 N ATOM 264 CA SER A 17 76.446 -1.828 29.477 1.00 0.00 C ATOM 265 C SER A 17 76.944 -3.268 29.604 1.00 0.00 C ATOM 266 O SER A 17 77.946 -3.537 30.236 1.00 0.00 O ATOM 267 CB SER A 17 76.956 -1.221 28.169 1.00 0.00 C ATOM 268 OG SER A 17 78.372 -1.320 28.131 1.00 0.00 O ATOM 0 H SER A 17 77.595 -0.269 30.355 1.00 0.00 H new ATOM 0 HA SER A 17 75.356 -1.836 29.486 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.520 -1.743 27.317 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.650 -0.177 28.094 1.00 0.00 H new ATOM 0 HG SER A 17 78.767 -0.453 28.360 1.00 0.00 H new ATOM 274 N ASN A 18 76.249 -4.196 29.002 1.00 0.00 N ATOM 275 CA ASN A 18 76.679 -5.620 29.084 1.00 0.00 C ATOM 276 C ASN A 18 77.917 -5.815 28.209 1.00 0.00 C ATOM 277 O ASN A 18 78.189 -5.038 27.317 1.00 0.00 O ATOM 278 CB ASN A 18 75.552 -6.538 28.593 1.00 0.00 C ATOM 279 CG ASN A 18 74.364 -6.452 29.551 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.515 -6.061 30.691 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.179 -6.800 29.132 1.00 0.00 N ATOM 0 H ASN A 18 75.403 -4.029 28.458 1.00 0.00 H new ATOM 0 HA ASN A 18 76.912 -5.871 30.119 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.244 -6.247 27.589 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.908 -7.566 28.531 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.379 -6.744 29.762 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.053 -7.128 28.175 1.00 0.00 H new ATOM 288 N TRP A 19 78.671 -6.847 28.461 1.00 0.00 N ATOM 289 CA TRP A 19 79.895 -7.089 27.649 1.00 0.00 C ATOM 290 C TRP A 19 79.533 -7.191 26.161 1.00 0.00 C ATOM 291 O TRP A 19 80.328 -6.865 25.301 1.00 0.00 O ATOM 292 CB TRP A 19 80.592 -8.372 28.129 1.00 0.00 C ATOM 293 CG TRP A 19 79.796 -9.584 27.764 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.963 -10.243 28.597 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.763 -10.304 26.495 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.417 -11.321 27.922 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.879 -11.400 26.622 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.405 -10.110 25.259 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.644 -12.278 25.561 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.170 -10.989 24.189 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.291 -12.070 24.339 1.00 0.00 C ATOM 0 H TRP A 19 78.493 -7.534 29.194 1.00 0.00 H new ATOM 0 HA TRP A 19 80.581 -6.251 27.776 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.585 -8.438 27.685 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.728 -8.334 29.210 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.756 -9.973 29.622 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.754 -11.977 28.334 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.083 -9.279 25.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.968 -13.111 25.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.670 -10.831 23.245 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.114 -12.741 23.512 1.00 0.00 H new ATOM 312 N ARG A 20 78.348 -7.641 25.837 1.00 0.00 N ATOM 313 CA ARG A 20 77.974 -7.753 24.396 1.00 0.00 C ATOM 314 C ARG A 20 77.979 -6.372 23.752 1.00 0.00 C ATOM 315 O ARG A 20 78.413 -6.203 22.627 1.00 0.00 O ATOM 316 CB ARG A 20 76.563 -8.342 24.266 1.00 0.00 C ATOM 317 CG ARG A 20 76.531 -9.755 24.842 1.00 0.00 C ATOM 318 CD ARG A 20 75.192 -10.409 24.494 1.00 0.00 C ATOM 319 NE ARG A 20 74.083 -9.539 24.980 1.00 0.00 N ATOM 320 CZ ARG A 20 72.855 -9.777 24.603 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.597 -10.787 23.815 1.00 0.00 N ATOM 322 NH2 ARG A 20 71.884 -9.006 25.007 1.00 0.00 N ATOM 0 H ARG A 20 77.630 -7.933 26.500 1.00 0.00 H new ATOM 0 HA ARG A 20 78.696 -8.401 23.899 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.847 -7.710 24.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.263 -8.361 23.218 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.354 -10.345 24.437 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.664 -9.723 25.923 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.113 -10.553 23.416 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.125 -11.395 24.953 1.00 0.00 H new ATOM 0 HE ARG A 20 74.283 -8.759 25.606 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.355 -11.390 23.494 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.638 -10.972 23.521 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.082 -8.214 25.619 1.00 0.00 H new ATOM 0 HH22 ARG A 20 70.926 -9.194 24.711 1.00 0.00 H new ATOM 336 N ALA A 21 77.491 -5.388 24.448 1.00 0.00 N ATOM 337 CA ALA A 21 77.450 -4.023 23.864 1.00 0.00 C ATOM 338 C ALA A 21 78.872 -3.499 23.688 1.00 0.00 C ATOM 339 O ALA A 21 79.244 -3.033 22.630 1.00 0.00 O ATOM 340 CB ALA A 21 76.652 -3.104 24.804 1.00 0.00 C ATOM 0 H ALA A 21 77.119 -5.469 25.394 1.00 0.00 H new ATOM 0 HA ALA A 21 76.966 -4.047 22.888 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.615 -2.098 24.385 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.638 -3.488 24.914 1.00 0.00 H new ATOM 0 HB3 ALA A 21 77.136 -3.073 25.780 1.00 0.00 H new ATOM 346 N MET A 22 79.668 -3.571 24.711 1.00 0.00 N ATOM 347 CA MET A 22 81.066 -3.081 24.591 1.00 0.00 C ATOM 348 C MET A 22 81.793 -3.886 23.521 1.00 0.00 C ATOM 349 O MET A 22 82.553 -3.354 22.738 1.00 0.00 O ATOM 350 CB MET A 22 81.779 -3.226 25.929 1.00 0.00 C ATOM 351 CG MET A 22 81.097 -2.336 26.966 1.00 0.00 C ATOM 352 SD MET A 22 82.072 -2.326 28.488 1.00 0.00 S ATOM 353 CE MET A 22 81.710 -4.022 29.010 1.00 0.00 C ATOM 0 H MET A 22 79.414 -3.947 25.624 1.00 0.00 H new ATOM 0 HA MET A 22 81.061 -2.029 24.307 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.756 -4.266 26.255 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.828 -2.947 25.827 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.996 -1.322 26.580 1.00 0.00 H new ATOM 0 HG3 MET A 22 80.090 -2.702 27.169 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.991 -4.149 30.055 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.644 -4.219 28.894 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.277 -4.721 28.395 1.00 0.00 H new ATOM 363 N ALA A 23 81.568 -5.169 23.484 1.00 0.00 N ATOM 364 CA ALA A 23 82.246 -6.002 22.457 1.00 0.00 C ATOM 365 C ALA A 23 81.890 -5.476 21.067 1.00 0.00 C ATOM 366 O ALA A 23 82.746 -5.257 20.234 1.00 0.00 O ATOM 367 CB ALA A 23 81.780 -7.454 22.582 1.00 0.00 C ATOM 0 H ALA A 23 80.947 -5.673 24.117 1.00 0.00 H new ATOM 0 HA ALA A 23 83.325 -5.954 22.605 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.279 -8.062 21.828 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.027 -7.831 23.574 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.701 -7.504 22.433 1.00 0.00 H new ATOM 373 N SER A 24 80.628 -5.279 20.818 1.00 0.00 N ATOM 374 CA SER A 24 80.194 -4.771 19.489 1.00 0.00 C ATOM 375 C SER A 24 80.607 -3.305 19.317 1.00 0.00 C ATOM 376 O SER A 24 80.952 -2.871 18.237 1.00 0.00 O ATOM 377 CB SER A 24 78.675 -4.888 19.378 1.00 0.00 C ATOM 378 OG SER A 24 78.266 -4.425 18.098 1.00 0.00 O ATOM 0 H SER A 24 79.873 -5.449 21.482 1.00 0.00 H new ATOM 0 HA SER A 24 80.671 -5.364 18.709 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.366 -5.924 19.520 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.194 -4.302 20.161 1.00 0.00 H new ATOM 0 HG SER A 24 77.292 -4.499 18.019 1.00 0.00 H new ATOM 384 N ASP A 25 80.554 -2.535 20.372 1.00 0.00 N ATOM 385 CA ASP A 25 80.919 -1.094 20.268 1.00 0.00 C ATOM 386 C ASP A 25 82.364 -0.940 19.793 1.00 0.00 C ATOM 387 O ASP A 25 82.667 -0.082 18.992 1.00 0.00 O ATOM 388 CB ASP A 25 80.759 -0.439 21.640 1.00 0.00 C ATOM 389 CG ASP A 25 80.926 1.076 21.502 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.529 1.497 20.530 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.441 1.788 22.364 1.00 0.00 O ATOM 0 H ASP A 25 80.273 -2.844 21.303 1.00 0.00 H new ATOM 0 HA ASP A 25 80.262 -0.611 19.544 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.778 -0.672 22.054 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.500 -0.836 22.334 1.00 0.00 H new ATOM 396 N PHE A 26 83.257 -1.764 20.280 1.00 0.00 N ATOM 397 CA PHE A 26 84.696 -1.673 19.859 1.00 0.00 C ATOM 398 C PHE A 26 85.078 -2.907 19.040 1.00 0.00 C ATOM 399 O PHE A 26 86.196 -3.048 18.593 1.00 0.00 O ATOM 400 CB PHE A 26 85.568 -1.585 21.110 1.00 0.00 C ATOM 401 CG PHE A 26 85.226 -0.316 21.851 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.911 0.870 21.559 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.220 -0.323 22.825 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.590 2.050 22.244 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.899 0.855 23.507 1.00 0.00 C ATOM 406 CZ PHE A 26 84.582 2.039 23.218 1.00 0.00 C ATOM 0 H PHE A 26 83.054 -2.501 20.955 1.00 0.00 H new ATOM 0 HA PHE A 26 84.846 -0.787 19.242 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.401 -2.452 21.749 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.623 -1.590 20.836 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.686 0.875 20.807 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.692 -1.238 23.050 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.118 2.966 22.022 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.123 0.849 24.258 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.333 2.948 23.746 1.00 0.00 H new ATOM 416 N ASN A 27 84.152 -3.799 18.836 1.00 0.00 N ATOM 417 CA ASN A 27 84.456 -5.024 18.037 1.00 0.00 C ATOM 418 C ASN A 27 85.584 -5.820 18.708 1.00 0.00 C ATOM 419 O ASN A 27 86.515 -6.263 18.062 1.00 0.00 O ATOM 420 CB ASN A 27 84.881 -4.620 16.617 1.00 0.00 C ATOM 421 CG ASN A 27 84.716 -5.811 15.663 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.040 -6.768 15.980 1.00 0.00 O ATOM 423 ND2 ASN A 27 85.304 -5.784 14.497 1.00 0.00 N ATOM 0 H ASN A 27 83.196 -3.736 19.187 1.00 0.00 H new ATOM 0 HA ASN A 27 83.563 -5.648 17.984 1.00 0.00 H new ATOM 0 HB2 ASN A 27 84.277 -3.781 16.272 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.919 -4.286 16.620 1.00 0.00 H new ATOM 0 HD21 ASN A 27 85.195 -6.567 13.853 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.872 -4.980 14.231 1.00 0.00 H new ATOM 430 N LEU A 28 85.499 -6.013 19.997 1.00 0.00 N ATOM 431 CA LEU A 28 86.549 -6.790 20.735 1.00 0.00 C ATOM 432 C LEU A 28 85.934 -8.118 21.184 1.00 0.00 C ATOM 433 O LEU A 28 84.742 -8.196 21.411 1.00 0.00 O ATOM 434 CB LEU A 28 86.981 -5.987 21.973 1.00 0.00 C ATOM 435 CG LEU A 28 87.674 -4.679 21.538 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.740 -3.706 22.719 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.104 -4.965 21.049 1.00 0.00 C ATOM 0 H LEU A 28 84.739 -5.663 20.581 1.00 0.00 H new ATOM 0 HA LEU A 28 87.413 -6.972 20.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.112 -5.760 22.591 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.660 -6.582 22.584 1.00 0.00 H new ATOM 0 HG LEU A 28 87.095 -4.239 20.726 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.231 -2.785 22.405 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.730 -3.481 23.062 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.306 -4.159 23.533 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.578 -4.032 20.746 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.680 -5.420 21.855 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.068 -5.647 20.199 1.00 0.00 H new ATOM 449 N PRO A 29 86.724 -9.157 21.326 1.00 0.00 N ATOM 450 CA PRO A 29 86.205 -10.484 21.769 1.00 0.00 C ATOM 451 C PRO A 29 85.574 -10.397 23.163 1.00 0.00 C ATOM 452 O PRO A 29 85.803 -9.457 23.895 1.00 0.00 O ATOM 453 CB PRO A 29 87.444 -11.396 21.773 1.00 0.00 C ATOM 454 CG PRO A 29 88.616 -10.467 21.818 1.00 0.00 C ATOM 455 CD PRO A 29 88.179 -9.199 21.089 1.00 0.00 C ATOM 0 HA PRO A 29 85.417 -10.859 21.115 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.438 -12.064 22.634 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.473 -12.024 20.883 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.900 -10.247 22.847 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.486 -10.913 21.336 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.677 -8.315 21.486 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.412 -9.246 20.025 1.00 0.00 H new ATOM 463 N PRO A 30 84.782 -11.367 23.519 1.00 0.00 N ATOM 464 CA PRO A 30 84.103 -11.393 24.843 1.00 0.00 C ATOM 465 C PRO A 30 85.104 -11.302 26.004 1.00 0.00 C ATOM 466 O PRO A 30 84.828 -10.721 27.033 1.00 0.00 O ATOM 467 CB PRO A 30 83.353 -12.742 24.857 1.00 0.00 C ATOM 468 CG PRO A 30 83.949 -13.550 23.744 1.00 0.00 C ATOM 469 CD PRO A 30 84.450 -12.548 22.709 1.00 0.00 C ATOM 0 HA PRO A 30 83.437 -10.540 24.976 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.474 -13.247 25.815 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.283 -12.597 24.706 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.766 -14.173 24.110 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.207 -14.220 23.309 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.320 -12.925 22.171 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.687 -12.324 21.963 1.00 0.00 H new ATOM 477 N VAL A 31 86.257 -11.881 25.855 1.00 0.00 N ATOM 478 CA VAL A 31 87.251 -11.833 26.965 1.00 0.00 C ATOM 479 C VAL A 31 87.529 -10.384 27.341 1.00 0.00 C ATOM 480 O VAL A 31 87.508 -10.019 28.501 1.00 0.00 O ATOM 481 CB VAL A 31 88.562 -12.489 26.502 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.640 -12.447 27.613 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.284 -13.942 26.115 1.00 0.00 C ATOM 0 H VAL A 31 86.557 -12.384 25.020 1.00 0.00 H new ATOM 0 HA VAL A 31 86.853 -12.366 27.828 1.00 0.00 H new ATOM 0 HB VAL A 31 88.941 -11.933 25.645 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.554 -12.919 27.252 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.848 -11.411 27.879 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.278 -12.982 28.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.209 -14.414 25.785 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.890 -14.479 26.978 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.554 -13.970 25.306 1.00 0.00 H new ATOM 493 N VAL A 32 87.808 -9.555 26.386 1.00 0.00 N ATOM 494 CA VAL A 32 88.102 -8.145 26.731 1.00 0.00 C ATOM 495 C VAL A 32 86.859 -7.498 27.321 1.00 0.00 C ATOM 496 O VAL A 32 86.899 -6.871 28.362 1.00 0.00 O ATOM 497 CB VAL A 32 88.536 -7.387 25.481 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.830 -5.927 25.847 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.803 -8.038 24.920 1.00 0.00 C ATOM 0 H VAL A 32 87.846 -9.787 25.393 1.00 0.00 H new ATOM 0 HA VAL A 32 88.908 -8.113 27.464 1.00 0.00 H new ATOM 0 HB VAL A 32 87.743 -7.419 24.734 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.140 -5.384 24.955 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.931 -5.467 26.258 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.628 -5.891 26.589 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.121 -7.503 24.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.595 -7.998 25.668 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.596 -9.078 24.666 1.00 0.00 H new ATOM 509 N ALA A 33 85.751 -7.649 26.661 1.00 0.00 N ATOM 510 CA ALA A 33 84.492 -7.049 27.171 1.00 0.00 C ATOM 511 C ALA A 33 84.088 -7.704 28.501 1.00 0.00 C ATOM 512 O ALA A 33 83.752 -7.021 29.444 1.00 0.00 O ATOM 513 CB ALA A 33 83.392 -7.244 26.133 1.00 0.00 C ATOM 0 H ALA A 33 85.662 -8.165 25.786 1.00 0.00 H new ATOM 0 HA ALA A 33 84.644 -5.984 27.347 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.464 -6.806 26.500 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.680 -6.756 25.202 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.245 -8.309 25.954 1.00 0.00 H new ATOM 519 N LYS A 34 84.122 -9.015 28.602 1.00 0.00 N ATOM 520 CA LYS A 34 83.741 -9.652 29.898 1.00 0.00 C ATOM 521 C LYS A 34 84.692 -9.188 31.004 1.00 0.00 C ATOM 522 O LYS A 34 84.299 -9.032 32.145 1.00 0.00 O ATOM 523 CB LYS A 34 83.778 -11.184 29.783 1.00 0.00 C ATOM 524 CG LYS A 34 82.616 -11.672 28.903 1.00 0.00 C ATOM 525 CD LYS A 34 82.481 -13.193 29.026 1.00 0.00 C ATOM 526 CE LYS A 34 83.831 -13.871 28.760 1.00 0.00 C ATOM 527 NZ LYS A 34 84.667 -13.809 29.991 1.00 0.00 N ATOM 0 H LYS A 34 84.392 -9.657 27.857 1.00 0.00 H new ATOM 0 HA LYS A 34 82.724 -9.350 30.147 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.728 -11.502 29.354 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.709 -11.633 30.774 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.688 -11.189 29.208 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.793 -11.395 27.864 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.126 -13.454 30.023 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.738 -13.557 28.317 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.677 -14.909 28.464 1.00 0.00 H new ATOM 0 HE3 LYS A 34 84.343 -13.376 27.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 85.214 -14.689 30.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 85.319 -13.001 29.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 84.053 -13.693 30.822 1.00 0.00 H new ATOM 541 N GLU A 35 85.946 -8.976 30.689 1.00 0.00 N ATOM 542 CA GLU A 35 86.899 -8.540 31.748 1.00 0.00 C ATOM 543 C GLU A 35 86.460 -7.200 32.340 1.00 0.00 C ATOM 544 O GLU A 35 86.539 -6.994 33.536 1.00 0.00 O ATOM 545 CB GLU A 35 88.309 -8.414 31.164 1.00 0.00 C ATOM 546 CG GLU A 35 89.319 -8.156 32.292 1.00 0.00 C ATOM 547 CD GLU A 35 89.284 -6.678 32.698 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.033 -5.853 31.836 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.514 -6.399 33.861 1.00 0.00 O ATOM 0 H GLU A 35 86.344 -9.085 29.756 1.00 0.00 H new ATOM 0 HA GLU A 35 86.906 -9.288 32.540 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.573 -9.326 30.628 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.341 -7.599 30.441 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.085 -8.784 33.152 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.322 -8.428 31.963 1.00 0.00 H new ATOM 556 N ILE A 36 85.987 -6.287 31.530 1.00 0.00 N ATOM 557 CA ILE A 36 85.543 -4.982 32.088 1.00 0.00 C ATOM 558 C ILE A 36 84.417 -5.250 33.081 1.00 0.00 C ATOM 559 O ILE A 36 84.350 -4.660 34.140 1.00 0.00 O ATOM 560 CB ILE A 36 85.052 -4.069 30.954 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.227 -3.788 30.008 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.530 -2.745 31.531 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.766 -2.897 28.854 1.00 0.00 C ATOM 0 H ILE A 36 85.891 -6.390 30.520 1.00 0.00 H new ATOM 0 HA ILE A 36 86.370 -4.482 32.592 1.00 0.00 H new ATOM 0 HB ILE A 36 84.242 -4.559 30.414 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.036 -3.302 30.553 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.624 -4.726 29.619 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.184 -2.105 30.719 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.703 -2.946 32.212 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.332 -2.243 32.072 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.606 -2.702 28.187 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.972 -3.399 28.301 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.391 -1.953 29.250 1.00 0.00 H new ATOM 575 N VAL A 37 83.550 -6.169 32.761 1.00 0.00 N ATOM 576 CA VAL A 37 82.444 -6.494 33.698 1.00 0.00 C ATOM 577 C VAL A 37 83.042 -7.104 34.965 1.00 0.00 C ATOM 578 O VAL A 37 82.612 -6.825 36.066 1.00 0.00 O ATOM 579 CB VAL A 37 81.507 -7.515 33.044 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.412 -7.912 34.034 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.873 -6.895 31.798 1.00 0.00 C ATOM 0 H VAL A 37 83.560 -6.706 31.894 1.00 0.00 H new ATOM 0 HA VAL A 37 81.885 -5.591 33.942 1.00 0.00 H new ATOM 0 HB VAL A 37 82.074 -8.402 32.760 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.746 -8.638 33.568 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.866 -8.353 34.921 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.842 -7.028 34.320 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.206 -7.619 31.331 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.305 -6.009 32.081 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.655 -6.615 31.093 1.00 0.00 H new ATOM 591 N ALA A 38 84.046 -7.919 34.809 1.00 0.00 N ATOM 592 CA ALA A 38 84.691 -8.552 35.992 1.00 0.00 C ATOM 593 C ALA A 38 85.273 -7.469 36.903 1.00 0.00 C ATOM 594 O ALA A 38 85.348 -7.630 38.100 1.00 0.00 O ATOM 595 CB ALA A 38 85.812 -9.484 35.526 1.00 0.00 C ATOM 0 H ALA A 38 84.450 -8.175 33.908 1.00 0.00 H new ATOM 0 HA ALA A 38 83.947 -9.126 36.544 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.284 -9.947 36.393 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.397 -10.259 34.882 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.555 -8.911 34.972 1.00 0.00 H new ATOM 601 N SER A 39 85.694 -6.366 36.350 1.00 0.00 N ATOM 602 CA SER A 39 86.273 -5.289 37.202 1.00 0.00 C ATOM 603 C SER A 39 85.147 -4.486 37.850 1.00 0.00 C ATOM 604 O SER A 39 85.315 -3.899 38.900 1.00 0.00 O ATOM 605 CB SER A 39 87.123 -4.360 36.337 1.00 0.00 C ATOM 606 OG SER A 39 88.165 -5.105 35.729 1.00 0.00 O ATOM 0 H SER A 39 85.663 -6.164 35.351 1.00 0.00 H new ATOM 0 HA SER A 39 86.893 -5.737 37.979 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.504 -3.889 35.573 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.541 -3.559 36.947 1.00 0.00 H new ATOM 0 HG SER A 39 87.972 -5.219 34.775 1.00 0.00 H new ATOM 612 N CYS A 40 83.997 -4.453 37.233 1.00 0.00 N ATOM 613 CA CYS A 40 82.861 -3.685 37.810 1.00 0.00 C ATOM 614 C CYS A 40 82.178 -4.521 38.893 1.00 0.00 C ATOM 615 O CYS A 40 81.424 -5.428 38.606 1.00 0.00 O ATOM 616 CB CYS A 40 81.857 -3.355 36.702 1.00 0.00 C ATOM 617 SG CYS A 40 80.439 -2.489 37.411 1.00 0.00 S ATOM 0 H CYS A 40 83.797 -4.927 36.352 1.00 0.00 H new ATOM 0 HA CYS A 40 83.231 -2.759 38.251 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.331 -2.736 35.940 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.529 -4.270 36.210 1.00 0.00 H new ATOM 622 N ASP A 41 82.443 -4.220 40.135 1.00 0.00 N ATOM 623 CA ASP A 41 81.820 -4.992 41.246 1.00 0.00 C ATOM 624 C ASP A 41 80.292 -4.885 41.179 1.00 0.00 C ATOM 625 O ASP A 41 79.586 -5.775 41.603 1.00 0.00 O ATOM 626 CB ASP A 41 82.314 -4.444 42.589 1.00 0.00 C ATOM 627 CG ASP A 41 83.798 -4.767 42.755 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.263 -5.677 42.093 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.444 -4.097 43.544 1.00 0.00 O ATOM 0 H ASP A 41 83.067 -3.469 40.429 1.00 0.00 H new ATOM 0 HA ASP A 41 82.104 -6.040 41.150 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.158 -3.366 42.634 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.742 -4.883 43.406 1.00 0.00 H new ATOM 634 N LYS A 42 79.769 -3.801 40.671 1.00 0.00 N ATOM 635 CA LYS A 42 78.281 -3.664 40.620 1.00 0.00 C ATOM 636 C LYS A 42 77.693 -4.632 39.598 1.00 0.00 C ATOM 637 O LYS A 42 76.663 -5.234 39.829 1.00 0.00 O ATOM 638 CB LYS A 42 77.910 -2.233 40.221 1.00 0.00 C ATOM 639 CG LYS A 42 78.429 -1.262 41.279 1.00 0.00 C ATOM 640 CD LYS A 42 77.903 0.144 40.982 1.00 0.00 C ATOM 641 CE LYS A 42 78.486 1.127 41.993 1.00 0.00 C ATOM 642 NZ LYS A 42 79.967 1.136 41.868 1.00 0.00 N ATOM 0 H LYS A 42 80.297 -3.014 40.294 1.00 0.00 H new ATOM 0 HA LYS A 42 77.877 -3.893 41.606 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.339 -1.992 39.248 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.828 -2.139 40.125 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.106 -1.581 42.270 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.519 -1.261 41.284 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.178 0.441 39.970 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.814 0.155 41.033 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.088 2.127 41.817 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.196 0.842 43.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.341 2.033 42.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.366 0.343 42.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.231 1.038 40.867 1.00 0.00 H new ATOM 656 N CYS A 43 78.333 -4.801 38.474 1.00 0.00 N ATOM 657 CA CYS A 43 77.796 -5.743 37.447 1.00 0.00 C ATOM 658 C CYS A 43 78.265 -7.171 37.771 1.00 0.00 C ATOM 659 O CYS A 43 77.649 -8.145 37.382 1.00 0.00 O ATOM 660 CB CYS A 43 78.295 -5.324 36.064 1.00 0.00 C ATOM 661 SG CYS A 43 77.452 -3.801 35.551 1.00 0.00 S ATOM 0 H CYS A 43 79.202 -4.330 38.221 1.00 0.00 H new ATOM 0 HA CYS A 43 76.706 -5.717 37.454 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.373 -5.165 36.088 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.106 -6.118 35.342 1.00 0.00 H new ATOM 666 N GLN A 44 79.346 -7.304 38.490 1.00 0.00 N ATOM 667 CA GLN A 44 79.839 -8.669 38.849 1.00 0.00 C ATOM 668 C GLN A 44 79.001 -9.213 40.006 1.00 0.00 C ATOM 669 O GLN A 44 78.208 -10.120 39.841 1.00 0.00 O ATOM 670 CB GLN A 44 81.302 -8.593 39.285 1.00 0.00 C ATOM 671 CG GLN A 44 81.861 -10.011 39.446 1.00 0.00 C ATOM 672 CD GLN A 44 83.286 -9.937 39.991 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.206 -9.339 39.298 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.561 -10.425 41.065 1.00 0.00 N ATOM 0 H GLN A 44 79.909 -6.531 38.844 1.00 0.00 H new ATOM 0 HA GLN A 44 79.753 -9.325 37.982 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.885 -8.043 38.546 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.384 -8.049 40.226 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.231 -10.587 40.123 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.854 -10.528 38.486 1.00 0.00 H new ATOM 0 HE21 GLN A 44 82.839 -10.895 41.611 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.514 -10.365 41.423 1.00 0.00 H new ATOM 683 N LEU A 45 79.162 -8.658 41.173 1.00 0.00 N ATOM 684 CA LEU A 45 78.361 -9.137 42.336 1.00 0.00 C ATOM 685 C LEU A 45 76.979 -8.479 42.281 1.00 0.00 C ATOM 686 O LEU A 45 76.835 -7.297 42.519 1.00 0.00 O ATOM 687 CB LEU A 45 79.051 -8.734 43.642 1.00 0.00 C ATOM 688 CG LEU A 45 80.474 -9.309 43.686 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.153 -8.897 45.000 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.430 -10.848 43.586 1.00 0.00 C ATOM 0 H LEU A 45 79.810 -7.896 41.373 1.00 0.00 H new ATOM 0 HA LEU A 45 78.269 -10.222 42.296 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.087 -7.648 43.723 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.477 -9.099 44.494 1.00 0.00 H new ATOM 0 HG LEU A 45 81.042 -8.917 42.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.163 -9.305 45.031 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.199 -7.810 45.060 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.579 -9.283 45.843 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.445 -11.244 43.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.857 -11.251 44.421 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.957 -11.138 42.648 1.00 0.00 H new ATOM 702 N LYS A 46 75.957 -9.238 41.968 1.00 0.00 N ATOM 703 CA LYS A 46 74.575 -8.667 41.896 1.00 0.00 C ATOM 704 C LYS A 46 73.924 -8.766 43.276 1.00 0.00 C ATOM 705 O LYS A 46 72.781 -8.402 43.466 1.00 0.00 O ATOM 706 CB LYS A 46 73.745 -9.451 40.867 1.00 0.00 C ATOM 707 CG LYS A 46 72.467 -8.663 40.509 1.00 0.00 C ATOM 708 CD LYS A 46 71.714 -9.348 39.354 1.00 0.00 C ATOM 709 CE LYS A 46 70.816 -10.472 39.891 1.00 0.00 C ATOM 710 NZ LYS A 46 69.615 -9.881 40.547 1.00 0.00 N ATOM 0 H LYS A 46 76.021 -10.234 41.758 1.00 0.00 H new ATOM 0 HA LYS A 46 74.622 -7.622 41.589 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.337 -9.628 39.969 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.479 -10.428 41.271 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.819 -8.594 41.383 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.729 -7.644 40.226 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.109 -8.615 38.820 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.427 -9.755 38.637 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.512 -11.129 39.076 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.369 -11.084 40.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.875 -10.607 40.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 69.872 -9.531 41.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.258 -9.092 39.971 1.00 0.00 H new ATOM 724 N GLY A 47 74.656 -9.250 44.247 1.00 0.00 N ATOM 725 CA GLY A 47 74.106 -9.379 45.633 1.00 0.00 C ATOM 726 C GLY A 47 73.879 -10.854 45.960 1.00 0.00 C ATOM 727 O GLY A 47 73.422 -11.196 47.032 1.00 0.00 O ATOM 0 H GLY A 47 75.620 -9.565 44.139 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.797 -8.939 46.352 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.168 -8.829 45.715 1.00 0.00 H new ATOM 731 N GLU A 48 74.205 -11.732 45.052 1.00 0.00 N ATOM 732 CA GLU A 48 74.016 -13.184 45.327 1.00 0.00 C ATOM 733 C GLU A 48 75.056 -13.623 46.361 1.00 0.00 C ATOM 734 O GLU A 48 75.471 -12.845 47.199 1.00 0.00 O ATOM 735 CB GLU A 48 74.195 -13.982 44.032 1.00 0.00 C ATOM 736 CG GLU A 48 73.087 -13.602 43.046 1.00 0.00 C ATOM 737 CD GLU A 48 73.251 -14.402 41.753 1.00 0.00 C ATOM 738 OE1 GLU A 48 74.379 -14.555 41.309 1.00 0.00 O ATOM 739 OE2 GLU A 48 72.244 -14.850 41.230 1.00 0.00 O ATOM 0 H GLU A 48 74.592 -11.508 44.135 1.00 0.00 H new ATOM 0 HA GLU A 48 73.013 -13.365 45.712 1.00 0.00 H new ATOM 0 HB2 GLU A 48 75.172 -13.775 43.596 1.00 0.00 H new ATOM 0 HB3 GLU A 48 74.160 -15.051 44.242 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.110 -13.801 43.487 1.00 0.00 H new ATOM 0 HG3 GLU A 48 73.128 -12.534 42.832 1.00 0.00 H new ATOM 746 N ALA A 49 75.484 -14.855 46.323 1.00 0.00 N ATOM 747 CA ALA A 49 76.501 -15.322 47.309 1.00 0.00 C ATOM 748 C ALA A 49 75.995 -15.079 48.737 1.00 0.00 C ATOM 749 O ALA A 49 76.770 -14.938 49.663 1.00 0.00 O ATOM 750 CB ALA A 49 77.827 -14.577 47.082 1.00 0.00 C ATOM 0 H ALA A 49 75.174 -15.558 45.653 1.00 0.00 H new ATOM 0 HA ALA A 49 76.668 -16.390 47.173 1.00 0.00 H new ATOM 0 HB1 ALA A 49 78.566 -14.922 47.805 1.00 0.00 H new ATOM 0 HB2 ALA A 49 78.187 -14.774 46.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.669 -13.506 47.208 1.00 0.00 H new ATOM 756 N MET A 50 74.706 -15.045 48.928 1.00 0.00 N ATOM 757 CA MET A 50 74.164 -14.829 50.303 1.00 0.00 C ATOM 758 C MET A 50 74.446 -16.077 51.147 1.00 0.00 C ATOM 759 O MET A 50 74.417 -17.189 50.655 1.00 0.00 O ATOM 760 CB MET A 50 72.653 -14.582 50.226 1.00 0.00 C ATOM 761 CG MET A 50 71.968 -15.806 49.616 1.00 0.00 C ATOM 762 SD MET A 50 70.258 -15.396 49.192 1.00 0.00 S ATOM 763 CE MET A 50 69.782 -17.028 48.569 1.00 0.00 C ATOM 0 H MET A 50 74.005 -15.157 48.196 1.00 0.00 H new ATOM 0 HA MET A 50 74.641 -13.962 50.760 1.00 0.00 H new ATOM 0 HB2 MET A 50 72.254 -14.387 51.221 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.448 -13.698 49.622 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.506 -16.130 48.725 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.989 -16.637 50.322 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.741 -17.005 48.246 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.418 -17.295 47.725 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.899 -17.768 49.361 1.00 0.00 H new ATOM 773 N HIS A 51 74.735 -15.906 52.409 1.00 0.00 N ATOM 774 CA HIS A 51 75.036 -17.084 53.272 1.00 0.00 C ATOM 775 C HIS A 51 73.837 -18.036 53.276 1.00 0.00 C ATOM 776 O HIS A 51 73.989 -19.241 53.276 1.00 0.00 O ATOM 777 CB HIS A 51 75.317 -16.614 54.705 1.00 0.00 C ATOM 778 CG HIS A 51 75.854 -17.762 55.518 1.00 0.00 C ATOM 779 ND1 HIS A 51 75.041 -18.550 56.320 1.00 0.00 N ATOM 780 CD2 HIS A 51 77.125 -18.258 55.668 1.00 0.00 C ATOM 781 CE1 HIS A 51 75.824 -19.472 56.912 1.00 0.00 C ATOM 782 NE2 HIS A 51 77.100 -19.335 56.548 1.00 0.00 N ATOM 0 H HIS A 51 74.776 -15.002 52.879 1.00 0.00 H new ATOM 0 HA HIS A 51 75.912 -17.602 52.881 1.00 0.00 H new ATOM 0 HB2 HIS A 51 76.036 -15.795 54.695 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.403 -16.231 55.158 1.00 0.00 H new ATOM 0 HD2 HIS A 51 78.007 -17.872 55.179 1.00 0.00 H new ATOM 0 HE1 HIS A 51 75.464 -20.227 57.595 1.00 0.00 H new ATOM 0 HE2 HIS A 51 77.892 -19.902 56.852 1.00 0.00 H new ATOM 790 N GLY A 52 72.648 -17.507 53.280 1.00 0.00 N ATOM 791 CA GLY A 52 71.444 -18.385 53.289 1.00 0.00 C ATOM 792 C GLY A 52 70.231 -17.571 53.742 1.00 0.00 C ATOM 793 O GLY A 52 70.341 -16.407 54.075 1.00 0.00 O ATOM 0 H GLY A 52 72.456 -16.505 53.277 1.00 0.00 H new ATOM 0 HA2 GLY A 52 71.271 -18.795 52.294 1.00 0.00 H new ATOM 0 HA3 GLY A 52 71.601 -19.230 53.959 1.00 0.00 H new ATOM 797 N GLN A 53 69.069 -18.178 53.761 1.00 0.00 N ATOM 798 CA GLN A 53 67.830 -17.457 54.190 1.00 0.00 C ATOM 799 C GLN A 53 67.530 -17.806 55.650 1.00 0.00 C ATOM 800 O GLN A 53 66.390 -17.924 56.041 1.00 0.00 O ATOM 801 CB GLN A 53 66.657 -17.895 53.295 1.00 0.00 C ATOM 802 CG GLN A 53 65.519 -16.870 53.386 1.00 0.00 C ATOM 803 CD GLN A 53 65.936 -15.575 52.685 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.393 -15.594 51.558 1.00 0.00 O ATOM 805 NE2 GLN A 53 65.794 -14.438 53.306 1.00 0.00 N ATOM 0 H GLN A 53 68.925 -19.152 53.495 1.00 0.00 H new ATOM 0 HA GLN A 53 67.971 -16.380 54.097 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.992 -17.989 52.262 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.299 -18.877 53.604 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.617 -17.271 52.924 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.280 -16.669 54.430 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.411 -14.417 54.251 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.066 -13.569 52.847 1.00 0.00 H new ATOM 814 N VAL A 54 68.559 -17.980 56.443 1.00 0.00 N ATOM 815 CA VAL A 54 68.396 -18.336 57.891 1.00 0.00 C ATOM 816 C VAL A 54 67.416 -19.508 58.058 1.00 0.00 C ATOM 817 O VAL A 54 66.244 -19.430 57.753 1.00 0.00 O ATOM 818 CB VAL A 54 67.977 -17.116 58.742 1.00 0.00 C ATOM 819 CG1 VAL A 54 69.092 -16.070 58.687 1.00 0.00 C ATOM 820 CG2 VAL A 54 66.676 -16.467 58.250 1.00 0.00 C ATOM 0 H VAL A 54 69.529 -17.888 56.141 1.00 0.00 H new ATOM 0 HA VAL A 54 69.369 -18.657 58.263 1.00 0.00 H new ATOM 0 HB VAL A 54 67.806 -17.471 59.758 1.00 0.00 H new ATOM 0 HG11 VAL A 54 68.808 -15.204 59.284 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.012 -16.498 59.084 1.00 0.00 H new ATOM 0 HG13 VAL A 54 69.251 -15.762 57.654 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.431 -15.616 58.885 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.805 -16.128 57.222 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.867 -17.196 58.293 1.00 0.00 H new ATOM 830 N ASP A 55 67.907 -20.619 58.535 1.00 0.00 N ATOM 831 CA ASP A 55 67.037 -21.819 58.715 1.00 0.00 C ATOM 832 C ASP A 55 67.573 -22.672 59.861 1.00 0.00 C ATOM 833 O ASP A 55 67.305 -23.864 59.862 1.00 0.00 O ATOM 834 CB ASP A 55 67.048 -22.639 57.430 1.00 0.00 C ATOM 835 CG ASP A 55 68.472 -23.132 57.157 1.00 0.00 C ATOM 836 OD1 ASP A 55 69.384 -22.633 57.798 1.00 0.00 O ATOM 837 OD2 ASP A 55 68.627 -23.998 56.314 1.00 0.00 O ATOM 838 OXT ASP A 55 68.243 -22.122 60.716 1.00 0.00 O ATOM 0 H ASP A 55 68.881 -20.749 58.810 1.00 0.00 H new ATOM 0 HA ASP A 55 66.020 -21.502 58.945 1.00 0.00 H new ATOM 0 HB2 ASP A 55 66.368 -23.486 57.520 1.00 0.00 H new ATOM 0 HB3 ASP A 55 66.694 -22.034 56.596 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.990 -14.066 21.547 1.00 0.00 N ATOM 845 CA PHE B 1 93.033 -13.954 22.684 1.00 0.00 C ATOM 846 C PHE B 1 92.558 -15.345 23.113 1.00 0.00 C ATOM 847 O PHE B 1 92.931 -15.844 24.155 1.00 0.00 O ATOM 848 CB PHE B 1 91.817 -13.135 22.249 1.00 0.00 C ATOM 849 CG PHE B 1 92.191 -11.674 22.137 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.726 -11.182 20.938 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.994 -10.807 23.225 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.067 -9.827 20.825 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.339 -9.452 23.109 1.00 0.00 C ATOM 854 CZ PHE B 1 92.875 -8.963 21.911 1.00 0.00 C ATOM 0 H1 PHE B 1 93.994 -13.177 21.008 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.945 -14.253 21.914 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.699 -14.847 20.924 1.00 0.00 H new ATOM 0 HA PHE B 1 93.537 -13.467 23.519 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.447 -13.499 21.290 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.009 -13.258 22.970 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.876 -11.848 20.101 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.578 -11.183 24.148 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.478 -9.449 19.900 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.191 -8.785 23.945 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.140 -7.920 21.824 1.00 0.00 H new ATOM 866 N LEU B 2 91.710 -15.961 22.332 1.00 0.00 N ATOM 867 CA LEU B 2 91.180 -17.299 22.711 1.00 0.00 C ATOM 868 C LEU B 2 92.259 -18.386 22.580 1.00 0.00 C ATOM 869 O LEU B 2 92.298 -19.322 23.354 1.00 0.00 O ATOM 870 CB LEU B 2 89.995 -17.637 21.798 1.00 0.00 C ATOM 871 CG LEU B 2 89.050 -16.426 21.697 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.758 -16.838 20.989 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.713 -15.901 23.101 1.00 0.00 C ATOM 0 H LEU B 2 91.362 -15.593 21.447 1.00 0.00 H new ATOM 0 HA LEU B 2 90.862 -17.267 23.753 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.355 -17.912 20.807 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.456 -18.499 22.191 1.00 0.00 H new ATOM 0 HG LEU B 2 89.546 -15.639 21.128 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.091 -15.978 20.919 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.991 -17.199 19.987 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.270 -17.631 21.555 1.00 0.00 H new ATOM 0 HD21 LEU B 2 88.044 -15.044 23.018 1.00 0.00 H new ATOM 0 HD22 LEU B 2 88.225 -16.688 23.676 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.630 -15.598 23.606 1.00 0.00 H new ATOM 885 N ASP B 3 93.122 -18.293 21.603 1.00 0.00 N ATOM 886 CA ASP B 3 94.165 -19.356 21.434 1.00 0.00 C ATOM 887 C ASP B 3 95.093 -19.407 22.655 1.00 0.00 C ATOM 888 O ASP B 3 95.325 -20.452 23.235 1.00 0.00 O ATOM 889 CB ASP B 3 95.002 -19.054 20.189 1.00 0.00 C ATOM 890 CG ASP B 3 94.135 -19.183 18.934 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.033 -19.693 19.044 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.591 -18.770 17.879 1.00 0.00 O ATOM 0 H ASP B 3 93.153 -17.537 20.919 1.00 0.00 H new ATOM 0 HA ASP B 3 93.663 -20.318 21.329 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.416 -18.048 20.254 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.845 -19.742 20.131 1.00 0.00 H new ATOM 897 N GLY B 4 95.620 -18.288 23.047 1.00 0.00 N ATOM 898 CA GLY B 4 96.534 -18.268 24.220 1.00 0.00 C ATOM 899 C GLY B 4 95.766 -18.636 25.486 1.00 0.00 C ATOM 900 O GLY B 4 96.220 -19.414 26.303 1.00 0.00 O ATOM 0 H GLY B 4 95.459 -17.382 22.606 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.353 -18.970 24.065 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.978 -17.278 24.329 1.00 0.00 H new ATOM 904 N ILE B 5 94.610 -18.064 25.665 1.00 0.00 N ATOM 905 CA ILE B 5 93.819 -18.362 26.886 1.00 0.00 C ATOM 906 C ILE B 5 93.485 -19.850 26.973 1.00 0.00 C ATOM 907 O ILE B 5 93.517 -20.433 28.036 1.00 0.00 O ATOM 908 CB ILE B 5 92.521 -17.548 26.856 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.875 -16.063 27.007 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.608 -17.978 28.013 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.688 -15.168 26.622 1.00 0.00 C ATOM 0 H ILE B 5 94.180 -17.403 25.018 1.00 0.00 H new ATOM 0 HA ILE B 5 94.412 -18.092 27.760 1.00 0.00 H new ATOM 0 HB ILE B 5 91.999 -17.717 25.914 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.169 -15.859 28.037 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.733 -15.825 26.378 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.687 -17.395 27.986 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.370 -19.037 27.915 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.117 -17.807 28.961 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.969 -14.121 26.739 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.412 -15.356 25.584 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.840 -15.391 27.269 1.00 0.00 H new ATOM 923 N ASP B 6 93.161 -20.472 25.874 1.00 0.00 N ATOM 924 CA ASP B 6 92.809 -21.912 25.939 1.00 0.00 C ATOM 925 C ASP B 6 93.956 -22.674 26.600 1.00 0.00 C ATOM 926 O ASP B 6 93.746 -23.486 27.479 1.00 0.00 O ATOM 927 CB ASP B 6 92.576 -22.446 24.525 1.00 0.00 C ATOM 928 CG ASP B 6 91.286 -21.852 23.959 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.509 -21.324 24.736 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.103 -21.927 22.756 1.00 0.00 O ATOM 0 H ASP B 6 93.126 -20.050 24.946 1.00 0.00 H new ATOM 0 HA ASP B 6 91.898 -22.045 26.523 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.419 -22.188 23.884 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.510 -23.534 24.542 1.00 0.00 H new ATOM 935 N LYS B 7 95.168 -22.404 26.211 1.00 0.00 N ATOM 936 CA LYS B 7 96.310 -23.109 26.853 1.00 0.00 C ATOM 937 C LYS B 7 96.453 -22.618 28.291 1.00 0.00 C ATOM 938 O LYS B 7 96.648 -23.391 29.207 1.00 0.00 O ATOM 939 CB LYS B 7 97.596 -22.795 26.094 1.00 0.00 C ATOM 940 CG LYS B 7 97.516 -23.368 24.675 1.00 0.00 C ATOM 941 CD LYS B 7 98.886 -23.280 23.987 1.00 0.00 C ATOM 942 CE LYS B 7 99.194 -21.829 23.596 1.00 0.00 C ATOM 943 NZ LYS B 7 98.087 -21.299 22.751 1.00 0.00 N ATOM 0 H LYS B 7 95.417 -21.733 25.484 1.00 0.00 H new ATOM 0 HA LYS B 7 96.129 -24.184 26.839 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.750 -21.717 26.052 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.452 -23.219 26.619 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.186 -24.406 24.713 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.774 -22.819 24.095 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.661 -23.656 24.655 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.896 -23.913 23.100 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.309 -21.216 24.490 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.137 -21.780 23.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.434 -20.496 22.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.748 -22.048 22.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.306 -20.983 23.360 1.00 0.00 H new ATOM 957 N ALA B 8 96.358 -21.335 28.497 1.00 0.00 N ATOM 958 CA ALA B 8 96.490 -20.794 29.876 1.00 0.00 C ATOM 959 C ALA B 8 95.319 -21.282 30.736 1.00 0.00 C ATOM 960 O ALA B 8 95.460 -21.523 31.918 1.00 0.00 O ATOM 961 CB ALA B 8 96.503 -19.265 29.831 1.00 0.00 C ATOM 0 H ALA B 8 96.195 -20.638 27.770 1.00 0.00 H new ATOM 0 HA ALA B 8 97.424 -21.145 30.314 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.600 -18.872 30.843 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.345 -18.926 29.228 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.573 -18.906 29.390 1.00 0.00 H new ATOM 967 N GLN B 9 94.158 -21.420 30.155 1.00 0.00 N ATOM 968 CA GLN B 9 92.988 -21.880 30.951 1.00 0.00 C ATOM 969 C GLN B 9 93.311 -23.237 31.576 1.00 0.00 C ATOM 970 O GLN B 9 93.014 -23.489 32.726 1.00 0.00 O ATOM 971 CB GLN B 9 91.765 -22.013 30.037 1.00 0.00 C ATOM 972 CG GLN B 9 90.497 -22.167 30.886 1.00 0.00 C ATOM 973 CD GLN B 9 89.280 -22.298 29.964 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.421 -22.613 28.799 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.083 -22.071 30.441 1.00 0.00 N ATOM 0 H GLN B 9 93.971 -21.235 29.169 1.00 0.00 H new ATOM 0 HA GLN B 9 92.771 -21.156 31.737 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.681 -21.135 29.397 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.882 -22.876 29.381 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.579 -23.046 31.526 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.379 -21.305 31.542 1.00 0.00 H new ATOM 0 HE21 GLN B 9 87.965 -21.807 31.419 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.267 -22.158 29.835 1.00 0.00 H new ATOM 984 N GLU B 10 93.936 -24.109 30.834 1.00 0.00 N ATOM 985 CA GLU B 10 94.290 -25.436 31.405 1.00 0.00 C ATOM 986 C GLU B 10 95.253 -25.235 32.580 1.00 0.00 C ATOM 987 O GLU B 10 95.145 -25.883 33.601 1.00 0.00 O ATOM 988 CB GLU B 10 94.963 -26.292 30.324 1.00 0.00 C ATOM 989 CG GLU B 10 95.105 -27.726 30.822 1.00 0.00 C ATOM 990 CD GLU B 10 95.782 -28.582 29.747 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.101 -28.045 28.698 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.971 -29.763 29.993 1.00 0.00 O ATOM 0 H GLU B 10 94.215 -23.961 29.864 1.00 0.00 H new ATOM 0 HA GLU B 10 93.390 -25.941 31.754 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.371 -26.271 29.409 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.943 -25.883 30.079 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.693 -27.746 31.740 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.124 -28.136 31.063 1.00 0.00 H new ATOM 999 N GLU B 11 96.191 -24.331 32.447 1.00 0.00 N ATOM 1000 CA GLU B 11 97.149 -24.083 33.559 1.00 0.00 C ATOM 1001 C GLU B 11 96.369 -23.616 34.779 1.00 0.00 C ATOM 1002 O GLU B 11 96.647 -24.002 35.895 1.00 0.00 O ATOM 1003 CB GLU B 11 98.138 -22.993 33.136 1.00 0.00 C ATOM 1004 CG GLU B 11 99.211 -22.800 34.219 1.00 0.00 C ATOM 1005 CD GLU B 11 98.640 -21.984 35.387 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.658 -21.291 35.181 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.197 -22.072 36.469 1.00 0.00 O ATOM 0 H GLU B 11 96.332 -23.756 31.616 1.00 0.00 H new ATOM 0 HA GLU B 11 97.696 -24.996 33.796 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.609 -23.266 32.192 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.607 -22.056 32.968 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.556 -23.770 34.577 1.00 0.00 H new ATOM 0 HG3 GLU B 11 100.077 -22.289 33.797 1.00 0.00 H new ATOM 1014 N HIS B 12 95.389 -22.780 34.571 1.00 0.00 N ATOM 1015 CA HIS B 12 94.586 -22.283 35.719 1.00 0.00 C ATOM 1016 C HIS B 12 93.865 -23.444 36.405 1.00 0.00 C ATOM 1017 O HIS B 12 93.855 -23.558 37.612 1.00 0.00 O ATOM 1018 CB HIS B 12 93.547 -21.277 35.235 1.00 0.00 C ATOM 1019 CG HIS B 12 92.848 -20.730 36.441 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.055 -19.425 36.910 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.030 -21.338 37.357 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.381 -19.306 38.074 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.760 -20.440 38.363 1.00 0.00 N ATOM 0 H HIS B 12 95.112 -22.421 33.657 1.00 0.00 H new ATOM 0 HA HIS B 12 95.262 -21.804 36.427 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.024 -20.475 34.673 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.834 -21.756 34.564 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.611 -18.700 36.456 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.660 -22.351 37.299 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.352 -18.414 38.682 1.00 0.00 H new ATOM 1031 N GLU B 13 93.246 -24.296 35.643 1.00 0.00 N ATOM 1032 CA GLU B 13 92.516 -25.445 36.249 1.00 0.00 C ATOM 1033 C GLU B 13 93.480 -26.335 37.049 1.00 0.00 C ATOM 1034 O GLU B 13 93.159 -26.815 38.121 1.00 0.00 O ATOM 1035 CB GLU B 13 91.881 -26.269 35.128 1.00 0.00 C ATOM 1036 CG GLU B 13 90.954 -27.329 35.728 1.00 0.00 C ATOM 1037 CD GLU B 13 90.387 -28.202 34.605 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.561 -27.836 33.457 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.791 -29.220 34.914 1.00 0.00 O ATOM 0 H GLU B 13 93.212 -24.249 34.625 1.00 0.00 H new ATOM 0 HA GLU B 13 91.749 -25.066 36.925 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.319 -25.618 34.458 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.657 -26.747 34.531 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.501 -27.945 36.442 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.143 -26.850 36.277 1.00 0.00 H new ATOM 1046 N LYS B 14 94.645 -26.590 36.519 1.00 0.00 N ATOM 1047 CA LYS B 14 95.621 -27.482 37.223 1.00 0.00 C ATOM 1048 C LYS B 14 96.089 -26.903 38.565 1.00 0.00 C ATOM 1049 O LYS B 14 96.453 -27.646 39.457 1.00 0.00 O ATOM 1050 CB LYS B 14 96.845 -27.705 36.330 1.00 0.00 C ATOM 1051 CG LYS B 14 96.444 -28.507 35.088 1.00 0.00 C ATOM 1052 CD LYS B 14 97.660 -28.649 34.151 1.00 0.00 C ATOM 1053 CE LYS B 14 98.649 -29.684 34.702 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.641 -30.040 33.645 1.00 0.00 N ATOM 0 H LYS B 14 94.968 -26.219 35.625 1.00 0.00 H new ATOM 0 HA LYS B 14 95.107 -28.421 37.426 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.269 -26.746 36.033 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.618 -28.238 36.884 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.080 -29.492 35.380 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.627 -28.007 34.568 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.327 -28.949 33.157 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.157 -27.685 34.043 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.162 -29.283 35.576 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.114 -30.576 35.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.311 -30.742 34.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.144 -30.440 32.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.160 -29.187 33.354 1.00 0.00 H new ATOM 1068 N TYR B 15 96.149 -25.600 38.712 1.00 0.00 N ATOM 1069 CA TYR B 15 96.675 -25.026 40.002 1.00 0.00 C ATOM 1070 C TYR B 15 95.891 -23.789 40.472 1.00 0.00 C ATOM 1071 O TYR B 15 96.180 -23.243 41.521 1.00 0.00 O ATOM 1072 CB TYR B 15 98.132 -24.612 39.768 1.00 0.00 C ATOM 1073 CG TYR B 15 98.877 -25.703 39.028 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.434 -26.773 39.737 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.022 -25.641 37.629 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.132 -27.780 39.057 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.720 -26.650 36.951 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.275 -27.718 37.665 1.00 0.00 C ATOM 1079 OH TYR B 15 100.958 -28.715 36.994 1.00 0.00 O ATOM 0 H TYR B 15 95.863 -24.916 38.011 1.00 0.00 H new ATOM 0 HA TYR B 15 96.574 -25.788 40.775 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.166 -23.686 39.194 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.619 -24.414 40.723 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.326 -26.823 40.810 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.595 -24.816 37.078 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.560 -28.605 39.607 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.829 -26.603 35.878 1.00 0.00 H new ATOM 0 HH TYR B 15 100.861 -29.561 37.479 1.00 0.00 H new ATOM 1089 N HIS B 16 94.949 -23.304 39.712 1.00 0.00 N ATOM 1090 CA HIS B 16 94.215 -22.069 40.137 1.00 0.00 C ATOM 1091 C HIS B 16 95.262 -20.995 40.405 1.00 0.00 C ATOM 1092 O HIS B 16 95.229 -20.303 41.403 1.00 0.00 O ATOM 1093 CB HIS B 16 93.382 -22.304 41.410 1.00 0.00 C ATOM 1094 CG HIS B 16 92.176 -23.171 41.125 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.993 -22.691 40.574 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.924 -24.505 41.366 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.099 -23.679 40.499 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.616 -24.816 40.973 1.00 0.00 N ATOM 0 H HIS B 16 94.654 -23.702 38.821 1.00 0.00 H new ATOM 0 HA HIS B 16 93.520 -21.772 39.351 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.002 -22.778 42.171 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.056 -21.346 41.816 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.628 -25.204 41.793 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.097 -23.574 40.109 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.154 -25.723 41.036 1.00 0.00 H new ATOM 1106 N SER B 17 96.212 -20.886 39.522 1.00 0.00 N ATOM 1107 CA SER B 17 97.301 -19.896 39.705 1.00 0.00 C ATOM 1108 C SER B 17 96.746 -18.471 39.639 1.00 0.00 C ATOM 1109 O SER B 17 95.711 -18.217 39.052 1.00 0.00 O ATOM 1110 CB SER B 17 98.338 -20.085 38.601 1.00 0.00 C ATOM 1111 OG SER B 17 97.752 -19.793 37.338 1.00 0.00 O ATOM 0 H SER B 17 96.279 -21.447 38.673 1.00 0.00 H new ATOM 0 HA SER B 17 97.759 -20.049 40.682 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.193 -19.432 38.776 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.712 -21.109 38.611 1.00 0.00 H new ATOM 0 HG SER B 17 98.458 -19.679 36.668 1.00 0.00 H new ATOM 1117 N ASN B 18 97.431 -17.533 40.234 1.00 0.00 N ATOM 1118 CA ASN B 18 96.945 -16.124 40.198 1.00 0.00 C ATOM 1119 C ASN B 18 97.153 -15.549 38.795 1.00 0.00 C ATOM 1120 O ASN B 18 97.957 -16.034 38.025 1.00 0.00 O ATOM 1121 CB ASN B 18 97.725 -15.283 41.210 1.00 0.00 C ATOM 1122 CG ASN B 18 97.388 -15.745 42.631 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.371 -16.374 42.852 1.00 0.00 O ATOM 1124 ND2 ASN B 18 98.205 -15.459 43.610 1.00 0.00 N ATOM 0 H ASN B 18 98.303 -17.680 40.742 1.00 0.00 H new ATOM 0 HA ASN B 18 95.885 -16.103 40.450 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.796 -15.380 41.030 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.476 -14.229 41.091 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.990 -15.763 44.559 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.058 -14.931 43.425 1.00 0.00 H new ATOM 1131 N TRP B 19 96.430 -14.522 38.452 1.00 0.00 N ATOM 1132 CA TRP B 19 96.586 -13.933 37.094 1.00 0.00 C ATOM 1133 C TRP B 19 98.041 -13.516 36.853 1.00 0.00 C ATOM 1134 O TRP B 19 98.518 -13.524 35.735 1.00 0.00 O ATOM 1135 CB TRP B 19 95.650 -12.728 36.946 1.00 0.00 C ATOM 1136 CG TRP B 19 96.120 -11.578 37.772 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.627 -11.243 38.986 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.144 -10.588 37.460 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.287 -10.115 39.441 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.231 -9.674 38.538 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.000 -10.397 36.361 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.131 -8.611 38.525 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.910 -9.325 36.345 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.974 -8.435 37.425 1.00 0.00 C ATOM 0 H TRP B 19 95.741 -14.066 39.050 1.00 0.00 H new ATOM 0 HA TRP B 19 96.321 -14.683 36.349 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.598 -12.430 35.899 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.641 -13.008 37.248 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.846 -11.770 39.514 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.098 -9.664 40.336 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.958 -11.078 35.524 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.177 -7.927 39.360 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.563 -9.187 35.496 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.675 -7.613 37.407 1.00 0.00 H new ATOM 1155 N ARG B 20 98.762 -13.159 37.883 1.00 0.00 N ATOM 1156 CA ARG B 20 100.182 -12.750 37.677 1.00 0.00 C ATOM 1157 C ARG B 20 100.981 -13.919 37.110 1.00 0.00 C ATOM 1158 O ARG B 20 101.816 -13.749 36.246 1.00 0.00 O ATOM 1159 CB ARG B 20 100.812 -12.348 39.012 1.00 0.00 C ATOM 1160 CG ARG B 20 100.091 -11.136 39.590 1.00 0.00 C ATOM 1161 CD ARG B 20 100.877 -10.614 40.797 1.00 0.00 C ATOM 1162 NE ARG B 20 101.068 -11.723 41.779 1.00 0.00 N ATOM 1163 CZ ARG B 20 101.907 -11.584 42.767 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.577 -10.474 42.904 1.00 0.00 N ATOM 1165 NH2 ARG B 20 102.074 -12.552 43.623 1.00 0.00 N ATOM 0 H ARG B 20 98.433 -13.133 38.848 1.00 0.00 H new ATOM 0 HA ARG B 20 100.199 -11.908 36.985 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.758 -13.181 39.713 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.868 -12.118 38.870 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.001 -10.356 38.834 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.079 -11.408 39.889 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.844 -10.227 40.476 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.342 -9.787 41.264 1.00 0.00 H new ATOM 0 HE ARG B 20 100.541 -12.590 41.676 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.445 -9.713 42.238 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.233 -10.367 43.678 1.00 0.00 H new ATOM 0 HH21 ARG B 20 101.548 -13.420 43.520 1.00 0.00 H new ATOM 0 HH22 ARG B 20 102.731 -12.442 44.396 1.00 0.00 H new ATOM 1179 N ALA B 21 100.742 -15.101 37.594 1.00 0.00 N ATOM 1180 CA ALA B 21 101.503 -16.275 37.090 1.00 0.00 C ATOM 1181 C ALA B 21 101.123 -16.545 35.636 1.00 0.00 C ATOM 1182 O ALA B 21 101.971 -16.688 34.781 1.00 0.00 O ATOM 1183 CB ALA B 21 101.169 -17.490 37.961 1.00 0.00 C ATOM 0 H ALA B 21 100.053 -15.307 38.317 1.00 0.00 H new ATOM 0 HA ALA B 21 102.574 -16.077 37.139 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.721 -18.358 37.601 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.448 -17.285 38.994 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.099 -17.693 37.908 1.00 0.00 H new ATOM 1189 N MET B 22 99.859 -16.620 35.349 1.00 0.00 N ATOM 1190 CA MET B 22 99.441 -16.878 33.945 1.00 0.00 C ATOM 1191 C MET B 22 99.942 -15.747 33.051 1.00 0.00 C ATOM 1192 O MET B 22 100.397 -15.968 31.948 1.00 0.00 O ATOM 1193 CB MET B 22 97.918 -16.950 33.876 1.00 0.00 C ATOM 1194 CG MET B 22 97.435 -18.147 34.692 1.00 0.00 C ATOM 1195 SD MET B 22 95.665 -18.396 34.409 1.00 0.00 S ATOM 1196 CE MET B 22 95.074 -16.952 35.326 1.00 0.00 C ATOM 0 H MET B 22 99.098 -16.515 36.020 1.00 0.00 H new ATOM 0 HA MET B 22 99.864 -17.823 33.604 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.480 -16.030 34.264 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.593 -17.046 32.840 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.989 -19.042 34.408 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.624 -17.978 35.752 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.998 -17.033 35.478 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.575 -16.905 36.293 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.293 -16.047 34.760 1.00 0.00 H new ATOM 1206 N ALA B 23 99.877 -14.536 33.526 1.00 0.00 N ATOM 1207 CA ALA B 23 100.357 -13.395 32.698 1.00 0.00 C ATOM 1208 C ALA B 23 101.827 -13.618 32.348 1.00 0.00 C ATOM 1209 O ALA B 23 102.232 -13.508 31.206 1.00 0.00 O ATOM 1210 CB ALA B 23 100.220 -12.093 33.488 1.00 0.00 C ATOM 0 H ALA B 23 99.515 -14.287 34.446 1.00 0.00 H new ATOM 0 HA ALA B 23 99.762 -13.329 31.787 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.572 -11.260 32.880 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.174 -11.935 33.750 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.816 -12.155 34.398 1.00 0.00 H new ATOM 1216 N SER B 24 102.625 -13.928 33.328 1.00 0.00 N ATOM 1217 CA SER B 24 104.075 -14.161 33.074 1.00 0.00 C ATOM 1218 C SER B 24 104.275 -15.469 32.307 1.00 0.00 C ATOM 1219 O SER B 24 105.142 -15.578 31.462 1.00 0.00 O ATOM 1220 CB SER B 24 104.816 -14.238 34.407 1.00 0.00 C ATOM 1221 OG SER B 24 106.208 -14.417 34.162 1.00 0.00 O ATOM 0 H SER B 24 102.335 -14.031 34.301 1.00 0.00 H new ATOM 0 HA SER B 24 104.467 -13.337 32.478 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.650 -13.327 34.981 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.431 -15.065 35.003 1.00 0.00 H new ATOM 0 HG SER B 24 106.687 -14.465 35.016 1.00 0.00 H new ATOM 1227 N ASP B 25 103.495 -16.471 32.610 1.00 0.00 N ATOM 1228 CA ASP B 25 103.654 -17.783 31.920 1.00 0.00 C ATOM 1229 C ASP B 25 103.469 -17.620 30.411 1.00 0.00 C ATOM 1230 O ASP B 25 104.182 -18.217 29.629 1.00 0.00 O ATOM 1231 CB ASP B 25 102.616 -18.762 32.465 1.00 0.00 C ATOM 1232 CG ASP B 25 102.908 -20.168 31.933 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.600 -20.268 30.934 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.437 -21.117 32.537 1.00 0.00 O ATOM 0 H ASP B 25 102.752 -16.437 33.308 1.00 0.00 H new ATOM 0 HA ASP B 25 104.658 -18.165 32.105 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.639 -18.762 33.555 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.615 -18.450 32.167 1.00 0.00 H new ATOM 1239 N PHE B 26 102.517 -16.820 29.996 1.00 0.00 N ATOM 1240 CA PHE B 26 102.275 -16.607 28.530 1.00 0.00 C ATOM 1241 C PHE B 26 102.638 -15.170 28.148 1.00 0.00 C ATOM 1242 O PHE B 26 102.521 -14.772 27.006 1.00 0.00 O ATOM 1243 CB PHE B 26 100.799 -16.866 28.234 1.00 0.00 C ATOM 1244 CG PHE B 26 100.482 -18.311 28.531 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.069 -18.685 29.816 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.608 -19.277 27.525 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.786 -20.026 30.098 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.322 -20.617 27.804 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.911 -20.993 29.091 1.00 0.00 C ATOM 0 H PHE B 26 101.892 -16.301 30.612 1.00 0.00 H new ATOM 0 HA PHE B 26 102.894 -17.291 27.949 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.173 -16.211 28.841 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.579 -16.640 27.191 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.969 -17.938 30.590 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.926 -18.987 26.534 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.472 -20.315 31.090 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.418 -21.362 27.028 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.691 -22.028 29.306 1.00 0.00 H new ATOM 1259 N ASN B 27 103.090 -14.393 29.090 1.00 0.00 N ATOM 1260 CA ASN B 27 103.473 -12.984 28.780 1.00 0.00 C ATOM 1261 C ASN B 27 102.268 -12.218 28.226 1.00 0.00 C ATOM 1262 O ASN B 27 102.376 -11.484 27.262 1.00 0.00 O ATOM 1263 CB ASN B 27 104.611 -12.979 27.748 1.00 0.00 C ATOM 1264 CG ASN B 27 105.341 -11.633 27.789 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.207 -10.884 28.734 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.114 -11.296 26.797 1.00 0.00 N ATOM 0 H ASN B 27 103.212 -14.671 30.064 1.00 0.00 H new ATOM 0 HA ASN B 27 103.808 -12.496 29.695 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.309 -13.789 27.959 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.210 -13.156 26.750 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.606 -10.403 26.815 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.227 -11.925 26.002 1.00 0.00 H new ATOM 1273 N LEU B 28 101.122 -12.376 28.838 1.00 0.00 N ATOM 1274 CA LEU B 28 99.892 -11.658 28.372 1.00 0.00 C ATOM 1275 C LEU B 28 99.542 -10.574 29.396 1.00 0.00 C ATOM 1276 O LEU B 28 99.832 -10.714 30.567 1.00 0.00 O ATOM 1277 CB LEU B 28 98.730 -12.664 28.280 1.00 0.00 C ATOM 1278 CG LEU B 28 99.027 -13.716 27.192 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.099 -14.924 27.378 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.801 -13.117 25.791 1.00 0.00 C ATOM 0 H LEU B 28 100.983 -12.978 29.650 1.00 0.00 H new ATOM 0 HA LEU B 28 100.064 -11.207 27.395 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.586 -13.155 29.242 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.803 -12.141 28.048 1.00 0.00 H new ATOM 0 HG LEU B 28 100.067 -14.029 27.283 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.310 -15.667 26.609 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.266 -15.363 28.362 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.061 -14.601 27.296 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.015 -13.871 25.034 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.765 -12.792 25.697 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.463 -12.263 25.649 1.00 0.00 H new ATOM 1292 N PRO B 29 98.921 -9.497 28.976 1.00 0.00 N ATOM 1293 CA PRO B 29 98.546 -8.401 29.911 1.00 0.00 C ATOM 1294 C PRO B 29 97.587 -8.904 30.995 1.00 0.00 C ATOM 1295 O PRO B 29 96.988 -9.954 30.862 1.00 0.00 O ATOM 1296 CB PRO B 29 97.874 -7.346 29.009 1.00 0.00 C ATOM 1297 CG PRO B 29 97.480 -8.080 27.763 1.00 0.00 C ATOM 1298 CD PRO B 29 98.508 -9.195 27.589 1.00 0.00 C ATOM 0 HA PRO B 29 99.405 -7.997 30.447 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.004 -6.908 29.498 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.559 -6.528 28.783 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.473 -8.488 27.852 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.478 -7.413 26.901 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.076 -10.068 27.099 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.352 -8.872 26.979 1.00 0.00 H new ATOM 1306 N PRO B 30 97.452 -8.166 32.063 1.00 0.00 N ATOM 1307 CA PRO B 30 96.558 -8.548 33.192 1.00 0.00 C ATOM 1308 C PRO B 30 95.110 -8.768 32.737 1.00 0.00 C ATOM 1309 O PRO B 30 94.402 -9.603 33.260 1.00 0.00 O ATOM 1310 CB PRO B 30 96.663 -7.358 34.174 1.00 0.00 C ATOM 1311 CG PRO B 30 97.268 -6.234 33.388 1.00 0.00 C ATOM 1312 CD PRO B 30 98.135 -6.886 32.316 1.00 0.00 C ATOM 0 HA PRO B 30 96.855 -9.495 33.642 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.682 -7.082 34.560 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.283 -7.613 35.033 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.494 -5.612 32.938 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.864 -5.586 34.030 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.190 -6.274 31.416 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.158 -7.037 32.662 1.00 0.00 H new ATOM 1320 N VAL B 31 94.661 -8.028 31.771 1.00 0.00 N ATOM 1321 CA VAL B 31 93.258 -8.202 31.314 1.00 0.00 C ATOM 1322 C VAL B 31 93.034 -9.642 30.894 1.00 0.00 C ATOM 1323 O VAL B 31 92.069 -10.264 31.290 1.00 0.00 O ATOM 1324 CB VAL B 31 92.995 -7.279 30.112 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.550 -7.440 29.581 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.215 -5.831 30.549 1.00 0.00 C ATOM 0 H VAL B 31 95.198 -7.314 31.279 1.00 0.00 H new ATOM 0 HA VAL B 31 92.579 -7.950 32.129 1.00 0.00 H new ATOM 0 HB VAL B 31 93.681 -7.549 29.309 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.398 -6.774 28.732 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.391 -8.471 29.266 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.842 -7.189 30.371 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.032 -5.165 29.706 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.529 -5.587 31.360 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.242 -5.707 30.893 1.00 0.00 H new ATOM 1336 N VAL B 32 93.894 -10.175 30.088 1.00 0.00 N ATOM 1337 CA VAL B 32 93.683 -11.571 29.647 1.00 0.00 C ATOM 1338 C VAL B 32 93.804 -12.499 30.846 1.00 0.00 C ATOM 1339 O VAL B 32 92.969 -13.351 31.076 1.00 0.00 O ATOM 1340 CB VAL B 32 94.719 -11.943 28.589 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.501 -13.392 28.142 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.562 -11.007 27.389 1.00 0.00 C ATOM 0 H VAL B 32 94.725 -9.713 29.718 1.00 0.00 H new ATOM 0 HA VAL B 32 92.688 -11.670 29.212 1.00 0.00 H new ATOM 0 HB VAL B 32 95.722 -11.845 29.005 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.242 -13.655 27.387 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.605 -14.057 28.999 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.501 -13.496 27.721 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.298 -11.265 26.628 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.559 -11.112 26.975 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.717 -9.976 27.709 1.00 0.00 H new ATOM 1352 N ALA B 33 94.847 -12.343 31.609 1.00 0.00 N ATOM 1353 CA ALA B 33 95.039 -13.215 32.793 1.00 0.00 C ATOM 1354 C ALA B 33 93.932 -12.959 33.825 1.00 0.00 C ATOM 1355 O ALA B 33 93.345 -13.887 34.344 1.00 0.00 O ATOM 1356 CB ALA B 33 96.409 -12.937 33.408 1.00 0.00 C ATOM 0 H ALA B 33 95.577 -11.646 31.461 1.00 0.00 H new ATOM 0 HA ALA B 33 94.987 -14.259 32.485 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.553 -13.576 34.279 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.187 -13.144 32.673 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.466 -11.892 33.712 1.00 0.00 H new ATOM 1362 N LYS B 34 93.623 -11.720 34.126 1.00 0.00 N ATOM 1363 CA LYS B 34 92.537 -11.465 35.117 1.00 0.00 C ATOM 1364 C LYS B 34 91.220 -12.042 34.603 1.00 0.00 C ATOM 1365 O LYS B 34 90.406 -12.518 35.373 1.00 0.00 O ATOM 1366 CB LYS B 34 92.370 -9.959 35.381 1.00 0.00 C ATOM 1367 CG LYS B 34 93.572 -9.427 36.177 1.00 0.00 C ATOM 1368 CD LYS B 34 93.275 -8.011 36.684 1.00 0.00 C ATOM 1369 CE LYS B 34 92.812 -7.119 35.524 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.361 -7.360 35.267 1.00 0.00 N ATOM 0 H LYS B 34 94.068 -10.890 33.735 1.00 0.00 H new ATOM 0 HA LYS B 34 92.812 -11.951 36.053 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.284 -9.423 34.436 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.449 -9.779 35.935 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.783 -10.087 37.018 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.462 -9.418 35.547 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.505 -8.047 37.455 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.167 -7.587 37.145 1.00 0.00 H new ATOM 0 HE2 LYS B 34 92.981 -6.070 35.767 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.393 -7.337 34.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 90.904 -6.467 34.994 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.255 -8.052 34.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 90.912 -7.729 36.129 1.00 0.00 H new ATOM 1384 N GLU B 35 90.983 -11.994 33.318 1.00 0.00 N ATOM 1385 CA GLU B 35 89.700 -12.531 32.790 1.00 0.00 C ATOM 1386 C GLU B 35 89.578 -14.022 33.111 1.00 0.00 C ATOM 1387 O GLU B 35 88.519 -14.498 33.472 1.00 0.00 O ATOM 1388 CB GLU B 35 89.630 -12.315 31.275 1.00 0.00 C ATOM 1389 CG GLU B 35 88.231 -12.685 30.757 1.00 0.00 C ATOM 1390 CD GLU B 35 88.110 -14.205 30.606 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.116 -14.841 30.333 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.008 -14.708 30.758 1.00 0.00 O ATOM 0 H GLU B 35 91.618 -11.609 32.619 1.00 0.00 H new ATOM 0 HA GLU B 35 88.874 -12.002 33.265 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.852 -11.275 31.037 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.384 -12.924 30.777 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.471 -12.319 31.447 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.050 -12.201 29.797 1.00 0.00 H new ATOM 1399 N ILE B 36 90.644 -14.769 33.005 1.00 0.00 N ATOM 1400 CA ILE B 36 90.549 -16.223 33.322 1.00 0.00 C ATOM 1401 C ILE B 36 90.109 -16.360 34.774 1.00 0.00 C ATOM 1402 O ILE B 36 89.298 -17.199 35.114 1.00 0.00 O ATOM 1403 CB ILE B 36 91.906 -16.901 33.100 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.276 -16.781 31.617 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.829 -18.384 33.490 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.645 -17.412 31.369 1.00 0.00 C ATOM 0 H ILE B 36 91.566 -14.441 32.716 1.00 0.00 H new ATOM 0 HA ILE B 36 89.825 -16.709 32.668 1.00 0.00 H new ATOM 0 HB ILE B 36 92.661 -16.416 33.719 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.522 -17.275 31.004 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.290 -15.732 31.321 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.799 -18.854 33.328 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.556 -18.470 34.542 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.077 -18.883 32.878 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.901 -17.323 30.313 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.396 -16.899 31.969 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.616 -18.465 31.648 1.00 0.00 H new ATOM 1418 N VAL B 37 90.627 -15.530 35.630 1.00 0.00 N ATOM 1419 CA VAL B 37 90.220 -15.591 37.056 1.00 0.00 C ATOM 1420 C VAL B 37 88.736 -15.234 37.155 1.00 0.00 C ATOM 1421 O VAL B 37 87.986 -15.824 37.904 1.00 0.00 O ATOM 1422 CB VAL B 37 91.040 -14.585 37.866 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.573 -14.595 39.323 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.523 -14.966 37.805 1.00 0.00 C ATOM 0 H VAL B 37 91.315 -14.812 35.404 1.00 0.00 H new ATOM 0 HA VAL B 37 90.392 -16.593 37.450 1.00 0.00 H new ATOM 0 HB VAL B 37 90.902 -13.588 37.448 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.159 -13.878 39.898 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.519 -14.322 39.369 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.708 -15.592 39.742 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.107 -14.249 38.382 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.660 -15.964 38.221 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.859 -14.956 36.768 1.00 0.00 H new ATOM 1434 N ALA B 38 88.309 -14.266 36.393 1.00 0.00 N ATOM 1435 CA ALA B 38 86.878 -13.859 36.427 1.00 0.00 C ATOM 1436 C ALA B 38 85.994 -15.043 36.032 1.00 0.00 C ATOM 1437 O ALA B 38 84.876 -15.176 36.487 1.00 0.00 O ATOM 1438 CB ALA B 38 86.660 -12.706 35.445 1.00 0.00 C ATOM 0 H ALA B 38 88.893 -13.737 35.745 1.00 0.00 H new ATOM 0 HA ALA B 38 86.615 -13.538 37.435 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.613 -12.404 35.466 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.287 -11.862 35.730 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.924 -13.030 34.438 1.00 0.00 H new ATOM 1444 N SER B 39 86.474 -15.901 35.179 1.00 0.00 N ATOM 1445 CA SER B 39 85.643 -17.061 34.756 1.00 0.00 C ATOM 1446 C SER B 39 85.689 -18.141 35.835 1.00 0.00 C ATOM 1447 O SER B 39 84.779 -18.934 35.968 1.00 0.00 O ATOM 1448 CB SER B 39 86.188 -17.628 33.444 1.00 0.00 C ATOM 1449 OG SER B 39 86.153 -16.621 32.441 1.00 0.00 O ATOM 0 H SER B 39 87.401 -15.851 34.757 1.00 0.00 H new ATOM 0 HA SER B 39 84.613 -16.736 34.611 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.210 -17.981 33.585 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.594 -18.487 33.132 1.00 0.00 H new ATOM 0 HG SER B 39 87.055 -16.262 32.306 1.00 0.00 H new ATOM 1455 N CYS B 40 86.741 -18.183 36.605 1.00 0.00 N ATOM 1456 CA CYS B 40 86.844 -19.219 37.670 1.00 0.00 C ATOM 1457 C CYS B 40 86.048 -18.768 38.897 1.00 0.00 C ATOM 1458 O CYS B 40 86.488 -17.932 39.663 1.00 0.00 O ATOM 1459 CB CYS B 40 88.312 -19.403 38.057 1.00 0.00 C ATOM 1460 SG CYS B 40 88.426 -20.596 39.410 1.00 0.00 S ATOM 0 H CYS B 40 87.534 -17.544 36.542 1.00 0.00 H new ATOM 0 HA CYS B 40 86.442 -20.163 37.302 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.885 -19.753 37.199 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.743 -18.449 38.361 1.00 0.00 H new ATOM 1465 N ASP B 41 84.877 -19.312 39.081 1.00 0.00 N ATOM 1466 CA ASP B 41 84.037 -18.918 40.247 1.00 0.00 C ATOM 1467 C ASP B 41 84.761 -19.227 41.562 1.00 0.00 C ATOM 1468 O ASP B 41 84.546 -18.569 42.560 1.00 0.00 O ATOM 1469 CB ASP B 41 82.710 -19.682 40.200 1.00 0.00 C ATOM 1470 CG ASP B 41 81.877 -19.182 39.020 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.103 -18.064 38.588 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.020 -19.924 38.571 1.00 0.00 O ATOM 0 H ASP B 41 84.463 -20.017 38.470 1.00 0.00 H new ATOM 0 HA ASP B 41 83.848 -17.846 40.197 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.897 -20.751 40.100 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.163 -19.540 41.132 1.00 0.00 H new ATOM 1477 N LYS B 42 85.613 -20.223 41.583 1.00 0.00 N ATOM 1478 CA LYS B 42 86.318 -20.550 42.856 1.00 0.00 C ATOM 1479 C LYS B 42 87.324 -19.453 43.194 1.00 0.00 C ATOM 1480 O LYS B 42 87.465 -19.072 44.341 1.00 0.00 O ATOM 1481 CB LYS B 42 87.063 -21.881 42.708 1.00 0.00 C ATOM 1482 CG LYS B 42 86.058 -22.999 42.435 1.00 0.00 C ATOM 1483 CD LYS B 42 86.772 -24.352 42.473 1.00 0.00 C ATOM 1484 CE LYS B 42 85.775 -25.458 42.136 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.271 -25.263 40.747 1.00 0.00 N ATOM 0 H LYS B 42 85.847 -20.814 40.785 1.00 0.00 H new ATOM 0 HA LYS B 42 85.581 -20.626 43.655 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.784 -21.818 41.893 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.627 -22.098 43.616 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.262 -22.976 43.179 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.589 -22.851 41.462 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.597 -24.361 41.761 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.201 -24.522 43.460 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.252 -26.434 42.228 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.944 -25.442 42.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.938 -26.172 40.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.485 -24.582 40.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.038 -24.898 40.147 1.00 0.00 H new ATOM 1499 N CYS B 43 88.016 -18.933 42.221 1.00 0.00 N ATOM 1500 CA CYS B 43 89.005 -17.858 42.513 1.00 0.00 C ATOM 1501 C CYS B 43 88.287 -16.503 42.546 1.00 0.00 C ATOM 1502 O CYS B 43 88.738 -15.566 43.176 1.00 0.00 O ATOM 1503 CB CYS B 43 90.090 -17.858 41.434 1.00 0.00 C ATOM 1504 SG CYS B 43 91.154 -19.313 41.638 1.00 0.00 S ATOM 0 H CYS B 43 87.941 -19.203 41.240 1.00 0.00 H new ATOM 0 HA CYS B 43 89.471 -18.036 43.482 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.633 -17.866 40.445 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.685 -16.947 41.503 1.00 0.00 H new ATOM 1509 N GLN B 44 87.166 -16.392 41.882 1.00 0.00 N ATOM 1510 CA GLN B 44 86.417 -15.100 41.892 1.00 0.00 C ATOM 1511 C GLN B 44 85.669 -14.971 43.220 1.00 0.00 C ATOM 1512 O GLN B 44 86.009 -14.165 44.062 1.00 0.00 O ATOM 1513 CB GLN B 44 85.409 -15.072 40.741 1.00 0.00 C ATOM 1514 CG GLN B 44 84.790 -13.674 40.634 1.00 0.00 C ATOM 1515 CD GLN B 44 83.701 -13.683 39.562 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.018 -13.979 38.333 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.550 -13.424 39.844 1.00 0.00 N flip ATOM 0 H GLN B 44 86.737 -17.138 41.334 1.00 0.00 H new ATOM 0 HA GLN B 44 87.118 -14.273 41.773 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.903 -15.335 39.805 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.629 -15.814 40.909 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.368 -13.376 41.594 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.558 -12.942 40.382 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.300 -13.192 40.805 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.832 -13.438 39.120 1.00 0.00 H new ATOM 1526 N LEU B 45 84.653 -15.770 43.417 1.00 0.00 N ATOM 1527 CA LEU B 45 83.890 -15.703 44.696 1.00 0.00 C ATOM 1528 C LEU B 45 84.646 -16.502 45.767 1.00 0.00 C ATOM 1529 O LEU B 45 84.695 -17.715 45.730 1.00 0.00 O ATOM 1530 CB LEU B 45 82.493 -16.305 44.499 1.00 0.00 C ATOM 1531 CG LEU B 45 81.757 -15.571 43.366 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.367 -16.189 43.194 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.621 -14.071 43.704 1.00 0.00 C ATOM 0 H LEU B 45 84.320 -16.464 42.748 1.00 0.00 H new ATOM 0 HA LEU B 45 83.789 -14.664 45.009 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.576 -17.366 44.262 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.922 -16.228 45.424 1.00 0.00 H new ATOM 0 HG LEU B 45 82.325 -15.670 42.441 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.837 -15.675 42.392 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.467 -17.245 42.944 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.806 -16.088 44.123 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.098 -13.562 42.894 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.056 -13.956 44.629 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.612 -13.634 43.827 1.00 0.00 H new ATOM 1545 N LYS B 46 85.239 -15.831 46.720 1.00 0.00 N ATOM 1546 CA LYS B 46 85.993 -16.548 47.793 1.00 0.00 C ATOM 1547 C LYS B 46 85.034 -16.866 48.941 1.00 0.00 C ATOM 1548 O LYS B 46 85.421 -17.404 49.957 1.00 0.00 O ATOM 1549 CB LYS B 46 87.142 -15.658 48.291 1.00 0.00 C ATOM 1550 CG LYS B 46 88.139 -16.493 49.110 1.00 0.00 C ATOM 1551 CD LYS B 46 89.370 -15.645 49.478 1.00 0.00 C ATOM 1552 CE LYS B 46 89.100 -14.810 50.738 1.00 0.00 C ATOM 1553 NZ LYS B 46 89.155 -15.690 51.938 1.00 0.00 N ATOM 0 H LYS B 46 85.234 -14.814 46.802 1.00 0.00 H new ATOM 0 HA LYS B 46 86.411 -17.476 47.404 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.650 -15.199 47.443 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.746 -14.847 48.903 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.658 -16.860 50.016 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.449 -17.367 48.537 1.00 0.00 H new ATOM 0 HD2 LYS B 46 90.229 -16.295 49.644 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.625 -14.987 48.648 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.839 -14.013 50.824 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.123 -14.333 50.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.244 -15.105 52.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.284 -16.255 51.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.975 -16.325 51.866 1.00 0.00 H new ATOM 1567 N GLY B 47 83.775 -16.534 48.782 1.00 0.00 N ATOM 1568 CA GLY B 47 82.766 -16.810 49.856 1.00 0.00 C ATOM 1569 C GLY B 47 82.333 -15.496 50.508 1.00 0.00 C ATOM 1570 O GLY B 47 81.513 -15.484 51.404 1.00 0.00 O ATOM 0 H GLY B 47 83.400 -16.081 47.949 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.900 -17.319 49.433 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.192 -17.476 50.606 1.00 0.00 H new ATOM 1574 N GLU B 48 82.862 -14.390 50.063 1.00 0.00 N ATOM 1575 CA GLU B 48 82.459 -13.086 50.654 1.00 0.00 C ATOM 1576 C GLU B 48 81.023 -12.773 50.221 1.00 0.00 C ATOM 1577 O GLU B 48 80.226 -13.666 50.012 1.00 0.00 O ATOM 1578 CB GLU B 48 83.409 -11.983 50.177 1.00 0.00 C ATOM 1579 CG GLU B 48 84.819 -12.277 50.689 1.00 0.00 C ATOM 1580 CD GLU B 48 85.772 -11.177 50.227 1.00 0.00 C ATOM 1581 OE1 GLU B 48 85.638 -10.739 49.096 1.00 0.00 O ATOM 1582 OE2 GLU B 48 86.619 -10.786 51.013 1.00 0.00 O ATOM 0 H GLU B 48 83.555 -14.334 49.317 1.00 0.00 H new ATOM 0 HA GLU B 48 82.510 -13.138 51.742 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.408 -11.932 49.088 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.072 -11.013 50.542 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.816 -12.336 51.777 1.00 0.00 H new ATOM 0 HG3 GLU B 48 85.157 -13.244 50.318 1.00 0.00 H new ATOM 1589 N ALA B 49 80.678 -11.519 50.096 1.00 0.00 N ATOM 1590 CA ALA B 49 79.291 -11.161 49.683 1.00 0.00 C ATOM 1591 C ALA B 49 78.279 -11.807 50.641 1.00 0.00 C ATOM 1592 O ALA B 49 77.147 -12.065 50.280 1.00 0.00 O ATOM 1593 CB ALA B 49 79.043 -11.638 48.244 1.00 0.00 C ATOM 0 H ALA B 49 81.298 -10.727 50.262 1.00 0.00 H new ATOM 0 HA ALA B 49 79.168 -10.079 49.723 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.029 -11.376 47.943 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.756 -11.158 47.574 1.00 0.00 H new ATOM 0 HB3 ALA B 49 79.168 -12.720 48.192 1.00 0.00 H new ATOM 1599 N MET B 50 78.670 -12.056 51.862 1.00 0.00 N ATOM 1600 CA MET B 50 77.716 -12.665 52.828 1.00 0.00 C ATOM 1601 C MET B 50 76.649 -11.622 53.187 1.00 0.00 C ATOM 1602 O MET B 50 76.927 -10.442 53.264 1.00 0.00 O ATOM 1603 CB MET B 50 78.469 -13.093 54.090 1.00 0.00 C ATOM 1604 CG MET B 50 79.097 -11.867 54.745 1.00 0.00 C ATOM 1605 SD MET B 50 80.281 -12.396 56.006 1.00 0.00 S ATOM 1606 CE MET B 50 80.799 -10.745 56.539 1.00 0.00 C ATOM 0 H MET B 50 79.602 -11.865 52.229 1.00 0.00 H new ATOM 0 HA MET B 50 77.242 -13.541 52.385 1.00 0.00 H new ATOM 0 HB2 MET B 50 77.787 -13.582 54.786 1.00 0.00 H new ATOM 0 HB3 MET B 50 79.241 -13.820 53.837 1.00 0.00 H new ATOM 0 HG2 MET B 50 79.598 -11.257 53.994 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.323 -11.246 55.196 1.00 0.00 H new ATOM 0 HE1 MET B 50 81.544 -10.835 57.330 1.00 0.00 H new ATOM 0 HE2 MET B 50 81.230 -10.208 55.694 1.00 0.00 H new ATOM 0 HE3 MET B 50 79.935 -10.196 56.915 1.00 0.00 H new ATOM 1616 N HIS B 51 75.432 -12.043 53.402 1.00 0.00 N ATOM 1617 CA HIS B 51 74.350 -11.071 53.744 1.00 0.00 C ATOM 1618 C HIS B 51 74.716 -10.324 55.030 1.00 0.00 C ATOM 1619 O HIS B 51 74.472 -9.140 55.168 1.00 0.00 O ATOM 1620 CB HIS B 51 73.039 -11.832 53.950 1.00 0.00 C ATOM 1621 CG HIS B 51 71.897 -10.850 54.050 1.00 0.00 C ATOM 1622 ND1 HIS B 51 71.404 -10.405 55.271 1.00 0.00 N ATOM 1623 CD2 HIS B 51 71.139 -10.218 53.090 1.00 0.00 C ATOM 1624 CE1 HIS B 51 70.395 -9.548 55.017 1.00 0.00 C ATOM 1625 NE2 HIS B 51 70.196 -9.401 53.706 1.00 0.00 N ATOM 0 H HIS B 51 75.138 -13.019 53.356 1.00 0.00 H new ATOM 0 HA HIS B 51 74.234 -10.352 52.933 1.00 0.00 H new ATOM 0 HB2 HIS B 51 72.871 -12.519 53.120 1.00 0.00 H new ATOM 0 HB3 HIS B 51 73.095 -12.435 54.856 1.00 0.00 H new ATOM 0 HD2 HIS B 51 71.258 -10.338 52.023 1.00 0.00 H new ATOM 0 HE1 HIS B 51 69.820 -9.044 55.779 1.00 0.00 H new ATOM 0 HE2 HIS B 51 69.498 -8.813 53.250 1.00 0.00 H new ATOM 1633 N GLY B 52 75.305 -11.005 55.971 1.00 0.00 N ATOM 1634 CA GLY B 52 75.696 -10.331 57.243 1.00 0.00 C ATOM 1635 C GLY B 52 75.949 -11.387 58.324 1.00 0.00 C ATOM 1636 O GLY B 52 75.797 -12.569 58.095 1.00 0.00 O ATOM 0 H GLY B 52 75.533 -11.998 55.917 1.00 0.00 H new ATOM 0 HA2 GLY B 52 76.593 -9.731 57.088 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.908 -9.649 57.563 1.00 0.00 H new ATOM 1640 N GLN B 53 76.333 -10.964 59.503 1.00 0.00 N ATOM 1641 CA GLN B 53 76.597 -11.932 60.613 1.00 0.00 C ATOM 1642 C GLN B 53 75.369 -11.987 61.532 1.00 0.00 C ATOM 1643 O GLN B 53 75.495 -12.123 62.725 1.00 0.00 O ATOM 1644 CB GLN B 53 77.821 -11.458 61.412 1.00 0.00 C ATOM 1645 CG GLN B 53 78.398 -12.619 62.228 1.00 0.00 C ATOM 1646 CD GLN B 53 79.052 -13.635 61.291 1.00 0.00 C ATOM 1647 OE1 GLN B 53 79.871 -13.279 60.464 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.729 -14.896 61.389 1.00 0.00 N ATOM 0 H GLN B 53 76.476 -9.984 59.746 1.00 0.00 H new ATOM 0 HA GLN B 53 76.791 -12.924 60.206 1.00 0.00 H new ATOM 0 HB2 GLN B 53 78.579 -11.068 60.733 1.00 0.00 H new ATOM 0 HB3 GLN B 53 77.538 -10.642 62.076 1.00 0.00 H new ATOM 0 HG2 GLN B 53 79.131 -12.245 62.942 1.00 0.00 H new ATOM 0 HG3 GLN B 53 77.607 -13.099 62.805 1.00 0.00 H new ATOM 0 HE21 GLN B 53 78.043 -15.194 62.082 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.163 -15.583 60.773 1.00 0.00 H new ATOM 1657 N VAL B 54 74.193 -11.866 60.970 1.00 0.00 N ATOM 1658 CA VAL B 54 72.925 -11.893 61.774 1.00 0.00 C ATOM 1659 C VAL B 54 73.018 -10.935 62.974 1.00 0.00 C ATOM 1660 O VAL B 54 73.815 -11.096 63.876 1.00 0.00 O ATOM 1661 CB VAL B 54 72.546 -13.332 62.210 1.00 0.00 C ATOM 1662 CG1 VAL B 54 72.292 -14.177 60.958 1.00 0.00 C ATOM 1663 CG2 VAL B 54 73.645 -14.014 63.044 1.00 0.00 C ATOM 0 H VAL B 54 74.052 -11.747 59.967 1.00 0.00 H new ATOM 0 HA VAL B 54 72.118 -11.542 61.131 1.00 0.00 H new ATOM 0 HB VAL B 54 71.656 -13.257 62.835 1.00 0.00 H new ATOM 0 HG11 VAL B 54 72.024 -15.192 61.252 1.00 0.00 H new ATOM 0 HG12 VAL B 54 71.476 -13.739 60.383 1.00 0.00 H new ATOM 0 HG13 VAL B 54 73.194 -14.202 60.347 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.322 -15.018 63.320 1.00 0.00 H new ATOM 0 HG22 VAL B 54 74.562 -14.076 62.457 1.00 0.00 H new ATOM 0 HG23 VAL B 54 73.831 -13.432 63.947 1.00 0.00 H new ATOM 1673 N ASP B 55 72.202 -9.916 62.977 1.00 0.00 N ATOM 1674 CA ASP B 55 72.233 -8.928 64.094 1.00 0.00 C ATOM 1675 C ASP B 55 70.842 -8.325 64.283 1.00 0.00 C ATOM 1676 O ASP B 55 70.761 -7.222 64.799 1.00 0.00 O ATOM 1677 CB ASP B 55 73.224 -7.819 63.744 1.00 0.00 C ATOM 1678 CG ASP B 55 72.749 -7.105 62.479 1.00 0.00 C ATOM 1679 OD1 ASP B 55 71.860 -7.628 61.824 1.00 0.00 O ATOM 1680 OD2 ASP B 55 73.276 -6.047 62.183 1.00 0.00 O ATOM 1681 OXT ASP B 55 69.880 -8.974 63.911 1.00 0.00 O ATOM 0 H ASP B 55 71.512 -9.724 62.251 1.00 0.00 H new ATOM 0 HA ASP B 55 72.538 -9.423 65.016 1.00 0.00 H new ATOM 0 HB2 ASP B 55 73.302 -7.111 64.569 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.218 -8.238 63.588 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 78.957 -2.064 35.713 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.643 -20.809 39.967 1.00 0.00 ZN