USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN :FLIP amide:sc= -0.027 F(o=-0.76,f=-0.027) USER MOD Set 1.2: A 95 TYR OH : rot 118:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 0.642 (180deg=0.624) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.015) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.4!) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.0133 (180deg=-0.179) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -73:sc= 0.441 USER MOD Single : A 26 THR OG1 : rot 4:sc= 0.471 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 141:sc= 0.59 (180deg=0.314) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 100:sc= -0.387 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.229 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.64) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 81 TYR OH : rot -142:sc= 0.488 USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= -0.377 (180deg=-0.409) USER MOD Single : A 86 MET CE :methyl -127:sc= -0.8 (180deg=-3.63!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 92 THR OG1 : rot -103:sc= 0.558 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 58:sc= -1.44! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 89:sc= 0.589 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0207 F(o=-0.78,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -2.402 17.748 -5.535 1.00 73.33 N ATOM 43 CA LYS A 3 -2.405 16.670 -4.521 1.00 3.34 C ATOM 44 C LYS A 3 -1.568 17.058 -3.273 1.00 20.45 C ATOM 45 O LYS A 3 -0.577 17.791 -3.377 1.00 34.21 O ATOM 46 CB LYS A 3 -1.829 15.377 -5.153 1.00 72.11 C ATOM 47 CG LYS A 3 -2.664 14.770 -6.314 1.00 34.11 C ATOM 48 CD LYS A 3 -3.784 13.816 -5.833 1.00 20.33 C ATOM 49 CE LYS A 3 -4.351 12.922 -6.952 1.00 52.54 C ATOM 50 NZ LYS A 3 -5.217 11.837 -6.413 1.00 41.15 N ATOM 0 HA LYS A 3 -3.433 16.508 -4.196 1.00 3.34 H new ATOM 0 HB2 LYS A 3 -0.826 15.590 -5.523 1.00 72.11 H new ATOM 0 HB3 LYS A 3 -1.727 14.625 -4.370 1.00 72.11 H new ATOM 0 HG2 LYS A 3 -3.110 15.579 -6.893 1.00 34.11 H new ATOM 0 HG3 LYS A 3 -1.998 14.227 -6.985 1.00 34.11 H new ATOM 0 HD2 LYS A 3 -3.394 13.183 -5.036 1.00 20.33 H new ATOM 0 HD3 LYS A 3 -4.594 14.406 -5.404 1.00 20.33 H new ATOM 0 HE2 LYS A 3 -4.926 13.533 -7.648 1.00 52.54 H new ATOM 0 HE3 LYS A 3 -3.529 12.483 -7.517 1.00 52.54 H new ATOM 0 HZ1 LYS A 3 -5.482 11.189 -7.183 1.00 41.15 H new ATOM 0 HZ2 LYS A 3 -4.699 11.311 -5.680 1.00 41.15 H new ATOM 0 HZ3 LYS A 3 -6.076 12.252 -5.999 1.00 41.15 H new ATOM 64 N GLU A 4 -1.972 16.528 -2.108 1.00 40.03 N ATOM 65 CA GLU A 4 -1.261 16.712 -0.816 1.00 41.22 C ATOM 66 C GLU A 4 -0.843 15.337 -0.243 1.00 34.10 C ATOM 67 O GLU A 4 -1.590 14.364 -0.357 1.00 13.34 O ATOM 68 CB GLU A 4 -2.184 17.451 0.194 1.00 0.33 C ATOM 69 CG GLU A 4 -1.556 17.701 1.580 1.00 61.25 C ATOM 70 CD GLU A 4 -2.539 18.318 2.593 1.00 2.01 C ATOM 71 OE1 GLU A 4 -3.284 17.558 3.254 1.00 74.13 O ATOM 72 OE2 GLU A 4 -2.592 19.559 2.718 1.00 62.40 O ATOM 0 H GLU A 4 -2.810 15.952 -2.027 1.00 40.03 H new ATOM 0 HA GLU A 4 -0.366 17.312 -0.984 1.00 41.22 H new ATOM 0 HB2 GLU A 4 -2.475 18.409 -0.236 1.00 0.33 H new ATOM 0 HB3 GLU A 4 -3.097 16.869 0.324 1.00 0.33 H new ATOM 0 HG2 GLU A 4 -1.181 16.757 1.977 1.00 61.25 H new ATOM 0 HG3 GLU A 4 -0.698 18.363 1.468 1.00 61.25 H new ATOM 79 N LYS A 5 0.349 15.267 0.382 1.00 74.11 N ATOM 80 CA LYS A 5 0.861 14.020 0.995 1.00 24.24 C ATOM 81 C LYS A 5 0.023 13.647 2.248 1.00 4.21 C ATOM 82 O LYS A 5 -0.167 14.463 3.153 1.00 3.24 O ATOM 83 CB LYS A 5 2.380 14.171 1.341 1.00 13.23 C ATOM 84 CG LYS A 5 3.173 12.844 1.572 1.00 55.14 C ATOM 85 CD LYS A 5 2.943 12.169 2.952 1.00 24.14 C ATOM 86 CE LYS A 5 3.431 13.021 4.133 1.00 12.51 C ATOM 87 NZ LYS A 5 3.146 12.372 5.433 1.00 3.02 N ATOM 0 H LYS A 5 0.980 16.063 0.477 1.00 74.11 H new ATOM 0 HA LYS A 5 0.762 13.205 0.278 1.00 24.24 H new ATOM 0 HB2 LYS A 5 2.862 14.721 0.533 1.00 13.23 H new ATOM 0 HB3 LYS A 5 2.467 14.782 2.239 1.00 13.23 H new ATOM 0 HG2 LYS A 5 2.901 12.136 0.789 1.00 55.14 H new ATOM 0 HG3 LYS A 5 4.237 13.051 1.459 1.00 55.14 H new ATOM 0 HD2 LYS A 5 1.880 11.964 3.076 1.00 24.14 H new ATOM 0 HD3 LYS A 5 3.457 11.208 2.969 1.00 24.14 H new ATOM 0 HE2 LYS A 5 4.503 13.192 4.039 1.00 12.51 H new ATOM 0 HE3 LYS A 5 2.948 13.998 4.101 1.00 12.51 H new ATOM 0 HZ1 LYS A 5 3.490 12.977 6.206 1.00 3.02 H new ATOM 0 HZ2 LYS A 5 2.120 12.232 5.533 1.00 3.02 H new ATOM 0 HZ3 LYS A 5 3.627 11.451 5.474 1.00 3.02 H new ATOM 101 N ILE A 6 -0.448 12.391 2.281 1.00 12.31 N ATOM 102 CA ILE A 6 -1.223 11.812 3.406 1.00 64.42 C ATOM 103 C ILE A 6 -0.652 10.410 3.759 1.00 13.42 C ATOM 104 O ILE A 6 0.178 9.856 3.024 1.00 1.12 O ATOM 105 CB ILE A 6 -2.783 11.708 3.111 1.00 13.23 C ATOM 106 CG1 ILE A 6 -3.104 10.633 2.018 1.00 53.33 C ATOM 107 CG2 ILE A 6 -3.381 13.092 2.724 1.00 33.44 C ATOM 108 CD1 ILE A 6 -4.590 10.407 1.753 1.00 0.24 C ATOM 0 H ILE A 6 -0.302 11.732 1.516 1.00 12.31 H new ATOM 0 HA ILE A 6 -1.116 12.492 4.251 1.00 64.42 H new ATOM 0 HB ILE A 6 -3.259 11.382 4.036 1.00 13.23 H new ATOM 0 HG12 ILE A 6 -2.625 10.931 1.085 1.00 53.33 H new ATOM 0 HG13 ILE A 6 -2.656 9.686 2.318 1.00 53.33 H new ATOM 0 HG21 ILE A 6 -4.448 12.986 2.529 1.00 33.44 H new ATOM 0 HG22 ILE A 6 -3.230 13.795 3.543 1.00 33.44 H new ATOM 0 HG23 ILE A 6 -2.884 13.466 1.829 1.00 33.44 H new ATOM 0 HD11 ILE A 6 -4.710 9.646 0.982 1.00 0.24 H new ATOM 0 HD12 ILE A 6 -5.077 10.075 2.670 1.00 0.24 H new ATOM 0 HD13 ILE A 6 -5.046 11.339 1.418 1.00 0.24 H new ATOM 120 N HIS A 7 -1.088 9.859 4.900 1.00 34.05 N ATOM 121 CA HIS A 7 -0.652 8.531 5.390 1.00 14.32 C ATOM 122 C HIS A 7 -1.842 7.806 6.069 1.00 74.45 C ATOM 123 O HIS A 7 -2.335 8.257 7.106 1.00 32.13 O ATOM 124 CB HIS A 7 0.581 8.654 6.328 1.00 13.25 C ATOM 125 CG HIS A 7 0.403 9.565 7.517 1.00 21.14 C ATOM 126 ND1 HIS A 7 0.279 9.102 8.808 1.00 31.33 N ATOM 127 CD2 HIS A 7 0.343 10.917 7.606 1.00 34.23 C ATOM 128 CE1 HIS A 7 0.151 10.120 9.633 1.00 45.31 C ATOM 129 NE2 HIS A 7 0.187 11.230 8.931 1.00 51.21 N ATOM 0 H HIS A 7 -1.757 10.319 5.517 1.00 34.05 H new ATOM 0 HA HIS A 7 -0.332 7.925 4.542 1.00 14.32 H new ATOM 0 HB2 HIS A 7 0.841 7.659 6.690 1.00 13.25 H new ATOM 0 HB3 HIS A 7 1.428 9.011 5.742 1.00 13.25 H new ATOM 0 HD2 HIS A 7 0.406 11.617 6.786 1.00 34.23 H new ATOM 0 HE1 HIS A 7 0.036 10.054 10.705 1.00 45.31 H new ATOM 0 HE2 HIS A 7 0.111 12.173 9.311 1.00 51.21 H new ATOM 138 N LEU A 8 -2.297 6.688 5.479 1.00 4.04 N ATOM 139 CA LEU A 8 -3.483 5.937 5.947 1.00 4.13 C ATOM 140 C LEU A 8 -3.045 4.737 6.817 1.00 44.42 C ATOM 141 O LEU A 8 -2.354 3.832 6.336 1.00 52.11 O ATOM 142 CB LEU A 8 -4.305 5.452 4.721 1.00 32.42 C ATOM 143 CG LEU A 8 -4.820 6.571 3.751 1.00 73.14 C ATOM 144 CD1 LEU A 8 -5.578 5.969 2.548 1.00 40.11 C ATOM 145 CD2 LEU A 8 -5.690 7.614 4.496 1.00 32.34 C ATOM 0 H LEU A 8 -1.853 6.274 4.659 1.00 4.04 H new ATOM 0 HA LEU A 8 -4.108 6.590 6.557 1.00 4.13 H new ATOM 0 HB2 LEU A 8 -3.690 4.758 4.148 1.00 32.42 H new ATOM 0 HB3 LEU A 8 -5.165 4.890 5.085 1.00 32.42 H new ATOM 0 HG LEU A 8 -3.944 7.091 3.363 1.00 73.14 H new ATOM 0 HD11 LEU A 8 -5.921 6.772 1.896 1.00 40.11 H new ATOM 0 HD12 LEU A 8 -4.912 5.309 1.992 1.00 40.11 H new ATOM 0 HD13 LEU A 8 -6.436 5.400 2.906 1.00 40.11 H new ATOM 0 HD21 LEU A 8 -6.029 8.374 3.792 1.00 32.34 H new ATOM 0 HD22 LEU A 8 -6.554 7.118 4.938 1.00 32.34 H new ATOM 0 HD23 LEU A 8 -5.100 8.085 5.282 1.00 32.34 H new ATOM 157 N GLU A 9 -3.453 4.748 8.102 1.00 4.04 N ATOM 158 CA GLU A 9 -3.040 3.734 9.099 1.00 64.13 C ATOM 159 C GLU A 9 -4.133 2.657 9.289 1.00 61.22 C ATOM 160 O GLU A 9 -5.266 2.957 9.658 1.00 25.14 O ATOM 161 CB GLU A 9 -2.724 4.418 10.455 1.00 62.40 C ATOM 162 CG GLU A 9 -2.134 3.474 11.526 1.00 22.03 C ATOM 163 CD GLU A 9 -1.948 4.162 12.891 1.00 43.55 C ATOM 164 OE1 GLU A 9 -1.046 5.023 13.016 1.00 60.22 O ATOM 165 OE2 GLU A 9 -2.726 3.883 13.831 1.00 52.51 O ATOM 0 H GLU A 9 -4.078 5.460 8.480 1.00 4.04 H new ATOM 0 HA GLU A 9 -2.142 3.241 8.727 1.00 64.13 H new ATOM 0 HB2 GLU A 9 -2.022 5.234 10.281 1.00 62.40 H new ATOM 0 HB3 GLU A 9 -3.639 4.863 10.845 1.00 62.40 H new ATOM 0 HG2 GLU A 9 -2.790 2.612 11.645 1.00 22.03 H new ATOM 0 HG3 GLU A 9 -1.172 3.096 11.180 1.00 22.03 H new ATOM 172 N TYR A 10 -3.773 1.403 9.008 1.00 44.42 N ATOM 173 CA TYR A 10 -4.625 0.222 9.233 1.00 15.24 C ATOM 174 C TYR A 10 -3.969 -0.672 10.306 1.00 64.42 C ATOM 175 O TYR A 10 -2.760 -0.886 10.271 1.00 22.25 O ATOM 176 CB TYR A 10 -4.770 -0.570 7.900 1.00 51.34 C ATOM 177 CG TYR A 10 -5.196 0.291 6.692 1.00 65.52 C ATOM 178 CD1 TYR A 10 -6.539 0.481 6.378 1.00 54.25 C ATOM 179 CD2 TYR A 10 -4.252 0.915 5.868 1.00 65.05 C ATOM 180 CE1 TYR A 10 -6.926 1.253 5.296 1.00 65.44 C ATOM 181 CE2 TYR A 10 -4.638 1.690 4.786 1.00 34.21 C ATOM 182 CZ TYR A 10 -5.976 1.853 4.504 1.00 22.22 C ATOM 183 OH TYR A 10 -6.364 2.618 3.425 1.00 13.52 O ATOM 0 H TYR A 10 -2.864 1.170 8.609 1.00 44.42 H new ATOM 0 HA TYR A 10 -5.613 0.533 9.573 1.00 15.24 H new ATOM 0 HB2 TYR A 10 -3.819 -1.050 7.671 1.00 51.34 H new ATOM 0 HB3 TYR A 10 -5.503 -1.365 8.041 1.00 51.34 H new ATOM 0 HD1 TYR A 10 -7.296 0.016 6.992 1.00 54.25 H new ATOM 0 HD2 TYR A 10 -3.200 0.790 6.080 1.00 65.05 H new ATOM 0 HE1 TYR A 10 -7.975 1.384 5.074 1.00 65.44 H new ATOM 0 HE2 TYR A 10 -3.892 2.165 4.166 1.00 34.21 H new ATOM 0 HH TYR A 10 -5.570 2.971 2.972 1.00 13.52 H new ATOM 193 N LEU A 11 -4.743 -1.161 11.277 1.00 12.33 N ATOM 194 CA LEU A 11 -4.257 -2.202 12.207 1.00 54.21 C ATOM 195 C LEU A 11 -4.618 -3.577 11.598 1.00 4.03 C ATOM 196 O LEU A 11 -5.720 -3.744 11.065 1.00 22.01 O ATOM 197 CB LEU A 11 -4.865 -2.066 13.645 1.00 24.23 C ATOM 198 CG LEU A 11 -4.932 -0.640 14.300 1.00 72.24 C ATOM 199 CD1 LEU A 11 -6.074 0.222 13.697 1.00 35.41 C ATOM 200 CD2 LEU A 11 -5.084 -0.744 15.839 1.00 10.45 C ATOM 0 H LEU A 11 -5.703 -0.861 11.446 1.00 12.33 H new ATOM 0 HA LEU A 11 -3.179 -2.091 12.327 1.00 54.21 H new ATOM 0 HB2 LEU A 11 -5.879 -2.465 13.615 1.00 24.23 H new ATOM 0 HB3 LEU A 11 -4.289 -2.709 14.310 1.00 24.23 H new ATOM 0 HG LEU A 11 -3.990 -0.140 14.077 1.00 72.24 H new ATOM 0 HD11 LEU A 11 -6.085 1.200 14.178 1.00 35.41 H new ATOM 0 HD12 LEU A 11 -5.910 0.346 12.627 1.00 35.41 H new ATOM 0 HD13 LEU A 11 -7.030 -0.274 13.862 1.00 35.41 H new ATOM 0 HD21 LEU A 11 -5.128 0.257 16.269 1.00 10.45 H new ATOM 0 HD22 LEU A 11 -6.001 -1.282 16.078 1.00 10.45 H new ATOM 0 HD23 LEU A 11 -4.230 -1.280 16.254 1.00 10.45 H new ATOM 212 N LEU A 12 -3.698 -4.547 11.640 1.00 73.34 N ATOM 213 CA LEU A 12 -3.957 -5.898 11.092 1.00 73.22 C ATOM 214 C LEU A 12 -3.313 -6.963 12.003 1.00 25.31 C ATOM 215 O LEU A 12 -2.131 -6.887 12.299 1.00 72.24 O ATOM 216 CB LEU A 12 -3.427 -5.997 9.614 1.00 5.24 C ATOM 217 CG LEU A 12 -4.107 -7.059 8.666 1.00 13.24 C ATOM 218 CD1 LEU A 12 -3.772 -8.521 9.043 1.00 53.42 C ATOM 219 CD2 LEU A 12 -5.640 -6.837 8.594 1.00 44.50 C ATOM 0 H LEU A 12 -2.769 -4.430 12.044 1.00 73.34 H new ATOM 0 HA LEU A 12 -5.031 -6.082 11.067 1.00 73.22 H new ATOM 0 HB2 LEU A 12 -3.535 -5.016 9.152 1.00 5.24 H new ATOM 0 HB3 LEU A 12 -2.360 -6.216 9.653 1.00 5.24 H new ATOM 0 HG LEU A 12 -3.683 -6.899 7.675 1.00 13.24 H new ATOM 0 HD11 LEU A 12 -4.272 -9.199 8.351 1.00 53.42 H new ATOM 0 HD12 LEU A 12 -2.694 -8.674 8.986 1.00 53.42 H new ATOM 0 HD13 LEU A 12 -4.114 -8.722 10.058 1.00 53.42 H new ATOM 0 HD21 LEU A 12 -6.085 -7.582 7.934 1.00 44.50 H new ATOM 0 HD22 LEU A 12 -6.069 -6.933 9.591 1.00 44.50 H new ATOM 0 HD23 LEU A 12 -5.845 -5.839 8.206 1.00 44.50 H new ATOM 231 N ASN A 13 -4.124 -7.943 12.437 1.00 10.35 N ATOM 232 CA ASN A 13 -3.653 -9.132 13.194 1.00 31.23 C ATOM 233 C ASN A 13 -2.594 -9.927 12.388 1.00 42.22 C ATOM 234 O ASN A 13 -2.917 -10.780 11.544 1.00 72.33 O ATOM 235 CB ASN A 13 -4.875 -10.007 13.583 1.00 21.22 C ATOM 236 CG ASN A 13 -5.789 -10.289 12.389 1.00 63.50 C ATOM 237 OD1 ASN A 13 -6.605 -9.461 12.031 1.00 52.10 O ATOM 238 ND2 ASN A 13 -5.661 -11.446 11.769 1.00 24.50 N ATOM 0 H ASN A 13 -5.131 -7.939 12.275 1.00 10.35 H new ATOM 0 HA ASN A 13 -3.158 -8.807 14.109 1.00 31.23 H new ATOM 0 HB2 ASN A 13 -4.525 -10.951 14.001 1.00 21.22 H new ATOM 0 HB3 ASN A 13 -5.445 -9.504 14.364 1.00 21.22 H new ATOM 0 HD21 ASN A 13 -6.254 -11.664 10.969 1.00 24.50 H new ATOM 0 HD22 ASN A 13 -4.969 -12.123 12.090 1.00 24.50 H new ATOM 280 N LYS A 17 3.844 -11.362 10.046 1.00 71.25 N ATOM 281 CA LYS A 17 3.149 -11.759 8.790 1.00 72.34 C ATOM 282 C LYS A 17 3.273 -10.633 7.719 1.00 33.24 C ATOM 283 O LYS A 17 2.314 -10.243 7.060 1.00 72.21 O ATOM 284 CB LYS A 17 1.668 -12.087 9.152 1.00 43.33 C ATOM 285 CG LYS A 17 0.812 -12.719 8.034 1.00 11.41 C ATOM 286 CD LYS A 17 -0.646 -12.987 8.482 1.00 55.35 C ATOM 287 CE LYS A 17 -1.491 -13.660 7.389 1.00 32.20 C ATOM 288 NZ LYS A 17 -0.890 -14.940 6.931 1.00 15.14 N ATOM 0 HA LYS A 17 3.608 -12.644 8.349 1.00 72.34 H new ATOM 0 HB2 LYS A 17 1.667 -12.763 10.007 1.00 43.33 H new ATOM 0 HB3 LYS A 17 1.183 -11.166 9.474 1.00 43.33 H new ATOM 0 HG2 LYS A 17 0.807 -12.058 7.167 1.00 11.41 H new ATOM 0 HG3 LYS A 17 1.269 -13.656 7.717 1.00 11.41 H new ATOM 0 HD2 LYS A 17 -0.638 -13.620 9.370 1.00 55.35 H new ATOM 0 HD3 LYS A 17 -1.113 -12.044 8.767 1.00 55.35 H new ATOM 0 HE2 LYS A 17 -2.495 -13.847 7.770 1.00 32.20 H new ATOM 0 HE3 LYS A 17 -1.593 -12.983 6.541 1.00 32.20 H new ATOM 0 HZ1 LYS A 17 -1.573 -15.451 6.337 1.00 15.14 H new ATOM 0 HZ2 LYS A 17 -0.031 -14.742 6.379 1.00 15.14 H new ATOM 0 HZ3 LYS A 17 -0.644 -15.523 7.756 1.00 15.14 H new ATOM 302 N ASN A 18 4.506 -10.122 7.562 1.00 61.41 N ATOM 303 CA ASN A 18 4.868 -9.054 6.576 1.00 23.32 C ATOM 304 C ASN A 18 4.548 -9.430 5.108 1.00 35.33 C ATOM 305 O ASN A 18 4.338 -8.552 4.260 1.00 44.42 O ATOM 306 CB ASN A 18 6.354 -8.668 6.750 1.00 42.35 C ATOM 307 CG ASN A 18 7.274 -9.879 6.784 1.00 63.21 C ATOM 308 OD1 ASN A 18 7.523 -10.399 7.970 1.00 22.14 O flip ATOM 309 ND2 ASN A 18 7.762 -10.334 5.761 1.00 44.10 N flip ATOM 0 H ASN A 18 5.301 -10.435 8.119 1.00 61.41 H new ATOM 0 HA ASN A 18 4.240 -8.190 6.793 1.00 23.32 H new ATOM 0 HB2 ASN A 18 6.653 -8.012 5.932 1.00 42.35 H new ATOM 0 HB3 ASN A 18 6.472 -8.101 7.673 1.00 42.35 H new ATOM 0 HD21 ASN A 18 7.548 -9.907 4.860 1.00 44.10 H new ATOM 0 HD22 ASN A 18 8.384 -11.141 5.808 1.00 44.10 H new ATOM 316 N ILE A 19 4.523 -10.748 4.847 1.00 63.41 N ATOM 317 CA ILE A 19 4.283 -11.361 3.520 1.00 1.52 C ATOM 318 C ILE A 19 2.978 -10.819 2.833 1.00 3.21 C ATOM 319 O ILE A 19 2.874 -10.843 1.597 1.00 32.42 O ATOM 320 CB ILE A 19 4.243 -12.952 3.624 1.00 42.34 C ATOM 321 CG1 ILE A 19 5.542 -13.560 4.295 1.00 52.54 C ATOM 322 CG2 ILE A 19 4.038 -13.601 2.231 1.00 64.43 C ATOM 323 CD1 ILE A 19 5.602 -13.516 5.815 1.00 22.23 C ATOM 0 H ILE A 19 4.674 -11.444 5.577 1.00 63.41 H new ATOM 0 HA ILE A 19 5.122 -11.072 2.887 1.00 1.52 H new ATOM 0 HB ILE A 19 3.394 -13.184 4.267 1.00 42.34 H new ATOM 0 HG12 ILE A 19 5.635 -14.599 3.979 1.00 52.54 H new ATOM 0 HG13 ILE A 19 6.409 -13.029 3.903 1.00 52.54 H new ATOM 0 HG21 ILE A 19 4.015 -14.686 2.335 1.00 64.43 H new ATOM 0 HG22 ILE A 19 3.096 -13.257 1.805 1.00 64.43 H new ATOM 0 HG23 ILE A 19 4.859 -13.317 1.573 1.00 64.43 H new ATOM 0 HD11 ILE A 19 6.537 -13.961 6.155 1.00 22.23 H new ATOM 0 HD12 ILE A 19 5.549 -12.481 6.151 1.00 22.23 H new ATOM 0 HD13 ILE A 19 4.763 -14.075 6.229 1.00 22.23 H new ATOM 335 N LEU A 20 2.024 -10.292 3.659 1.00 53.44 N ATOM 336 CA LEU A 20 0.771 -9.616 3.192 1.00 41.12 C ATOM 337 C LEU A 20 1.037 -8.648 2.006 1.00 23.21 C ATOM 338 O LEU A 20 0.581 -8.876 0.880 1.00 43.11 O ATOM 339 CB LEU A 20 0.150 -8.792 4.367 1.00 53.43 C ATOM 340 CG LEU A 20 -0.398 -9.594 5.589 1.00 72.41 C ATOM 341 CD1 LEU A 20 -0.683 -8.651 6.785 1.00 4.52 C ATOM 342 CD2 LEU A 20 -1.654 -10.416 5.206 1.00 23.14 C ATOM 0 H LEU A 20 2.103 -10.324 4.675 1.00 53.44 H new ATOM 0 HA LEU A 20 0.089 -10.397 2.857 1.00 41.12 H new ATOM 0 HB2 LEU A 20 0.908 -8.098 4.731 1.00 53.43 H new ATOM 0 HB3 LEU A 20 -0.665 -8.191 3.964 1.00 53.43 H new ATOM 0 HG LEU A 20 0.372 -10.302 5.898 1.00 72.41 H new ATOM 0 HD11 LEU A 20 -1.064 -9.233 7.624 1.00 4.52 H new ATOM 0 HD12 LEU A 20 0.238 -8.149 7.080 1.00 4.52 H new ATOM 0 HD13 LEU A 20 -1.424 -7.907 6.493 1.00 4.52 H new ATOM 0 HD21 LEU A 20 -2.011 -10.963 6.079 1.00 23.14 H new ATOM 0 HD22 LEU A 20 -2.436 -9.743 4.855 1.00 23.14 H new ATOM 0 HD23 LEU A 20 -1.400 -11.121 4.415 1.00 23.14 H new ATOM 354 N TRP A 21 1.822 -7.592 2.278 1.00 3.31 N ATOM 355 CA TRP A 21 2.202 -6.577 1.279 1.00 11.44 C ATOM 356 C TRP A 21 3.602 -6.832 0.696 1.00 61.11 C ATOM 357 O TRP A 21 3.955 -6.210 -0.280 1.00 14.21 O ATOM 358 CB TRP A 21 2.105 -5.156 1.870 1.00 61.33 C ATOM 359 CG TRP A 21 0.683 -4.675 2.104 1.00 54.43 C ATOM 360 CD1 TRP A 21 -0.105 -4.885 3.204 1.00 43.23 C ATOM 361 CD2 TRP A 21 -0.105 -3.875 1.203 1.00 1.11 C ATOM 362 NE1 TRP A 21 -1.315 -4.255 3.042 1.00 53.33 N ATOM 363 CE2 TRP A 21 -1.340 -3.627 1.826 1.00 13.44 C ATOM 364 CE3 TRP A 21 0.128 -3.340 -0.070 1.00 72.02 C ATOM 365 CZ2 TRP A 21 -2.340 -2.866 1.221 1.00 60.32 C ATOM 366 CZ3 TRP A 21 -0.862 -2.587 -0.670 1.00 1.00 C ATOM 367 CH2 TRP A 21 -2.084 -2.355 -0.025 1.00 21.33 C ATOM 0 H TRP A 21 2.214 -7.417 3.203 1.00 3.31 H new ATOM 0 HA TRP A 21 1.491 -6.658 0.457 1.00 11.44 H new ATOM 0 HB2 TRP A 21 2.646 -5.130 2.816 1.00 61.33 H new ATOM 0 HB3 TRP A 21 2.606 -4.460 1.197 1.00 61.33 H new ATOM 0 HD1 TRP A 21 0.182 -5.461 4.071 1.00 43.23 H new ATOM 0 HE1 TRP A 21 -2.076 -4.255 3.721 1.00 53.33 H new ATOM 0 HE3 TRP A 21 1.067 -3.514 -0.575 1.00 72.02 H new ATOM 0 HZ2 TRP A 21 -3.283 -2.686 1.717 1.00 60.32 H new ATOM 0 HZ3 TRP A 21 -0.692 -2.170 -1.652 1.00 1.00 H new ATOM 0 HH2 TRP A 21 -2.839 -1.762 -0.519 1.00 21.33 H new ATOM 378 N SER A 22 4.416 -7.722 1.296 1.00 2.03 N ATOM 379 CA SER A 22 5.725 -8.122 0.684 1.00 34.12 C ATOM 380 C SER A 22 5.519 -8.810 -0.701 1.00 62.11 C ATOM 381 O SER A 22 6.431 -8.853 -1.534 1.00 74.21 O ATOM 382 CB SER A 22 6.526 -9.041 1.634 1.00 51.11 C ATOM 383 OG SER A 22 7.792 -9.390 1.087 1.00 42.31 O ATOM 0 H SER A 22 4.208 -8.177 2.185 1.00 2.03 H new ATOM 0 HA SER A 22 6.302 -7.211 0.524 1.00 34.12 H new ATOM 0 HB2 SER A 22 6.669 -8.539 2.591 1.00 51.11 H new ATOM 0 HB3 SER A 22 5.953 -9.947 1.832 1.00 51.11 H new ATOM 0 HG SER A 22 8.271 -9.970 1.715 1.00 42.31 H new ATOM 389 N ALA A 23 4.280 -9.300 -0.935 1.00 41.55 N ATOM 390 CA ALA A 23 3.835 -9.888 -2.220 1.00 22.35 C ATOM 391 C ALA A 23 3.858 -8.868 -3.395 1.00 64.13 C ATOM 392 O ALA A 23 3.966 -9.269 -4.556 1.00 13.14 O ATOM 393 CB ALA A 23 2.412 -10.456 -2.042 1.00 32.43 C ATOM 0 H ALA A 23 3.549 -9.298 -0.224 1.00 41.55 H new ATOM 0 HA ALA A 23 4.537 -10.679 -2.483 1.00 22.35 H new ATOM 0 HB1 ALA A 23 2.074 -10.892 -2.982 1.00 32.43 H new ATOM 0 HB2 ALA A 23 2.421 -11.224 -1.269 1.00 32.43 H new ATOM 0 HB3 ALA A 23 1.734 -9.654 -1.749 1.00 32.43 H new ATOM 399 N ILE A 24 3.774 -7.552 -3.081 1.00 55.11 N ATOM 400 CA ILE A 24 3.660 -6.480 -4.111 1.00 34.45 C ATOM 401 C ILE A 24 4.989 -6.233 -4.877 1.00 54.34 C ATOM 402 O ILE A 24 4.986 -5.622 -5.952 1.00 3.04 O ATOM 403 CB ILE A 24 3.105 -5.128 -3.502 1.00 3.34 C ATOM 404 CG1 ILE A 24 4.169 -4.403 -2.620 1.00 4.43 C ATOM 405 CG2 ILE A 24 1.792 -5.392 -2.716 1.00 12.45 C ATOM 406 CD1 ILE A 24 3.651 -3.237 -1.791 1.00 61.52 C ATOM 0 H ILE A 24 3.783 -7.203 -2.123 1.00 55.11 H new ATOM 0 HA ILE A 24 2.935 -6.847 -4.838 1.00 34.45 H new ATOM 0 HB ILE A 24 2.880 -4.454 -4.329 1.00 3.34 H new ATOM 0 HG12 ILE A 24 4.616 -5.134 -1.946 1.00 4.43 H new ATOM 0 HG13 ILE A 24 4.966 -4.039 -3.269 1.00 4.43 H new ATOM 0 HG21 ILE A 24 1.421 -4.454 -2.302 1.00 12.45 H new ATOM 0 HG22 ILE A 24 1.044 -5.813 -3.388 1.00 12.45 H new ATOM 0 HG23 ILE A 24 1.988 -6.094 -1.905 1.00 12.45 H new ATOM 0 HD11 ILE A 24 4.471 -2.806 -1.217 1.00 61.52 H new ATOM 0 HD12 ILE A 24 3.233 -2.478 -2.452 1.00 61.52 H new ATOM 0 HD13 ILE A 24 2.878 -3.591 -1.109 1.00 61.52 H new ATOM 418 N SER A 25 6.117 -6.707 -4.311 1.00 22.34 N ATOM 419 CA SER A 25 7.445 -6.625 -4.975 1.00 12.24 C ATOM 420 C SER A 25 7.565 -7.676 -6.105 1.00 53.31 C ATOM 421 O SER A 25 8.198 -7.432 -7.144 1.00 30.21 O ATOM 422 CB SER A 25 8.582 -6.829 -3.944 1.00 42.02 C ATOM 423 OG SER A 25 8.634 -8.170 -3.467 1.00 14.12 O ATOM 0 H SER A 25 6.140 -7.152 -3.394 1.00 22.34 H new ATOM 0 HA SER A 25 7.538 -5.632 -5.414 1.00 12.24 H new ATOM 0 HB2 SER A 25 9.537 -6.569 -4.401 1.00 42.02 H new ATOM 0 HB3 SER A 25 8.436 -6.150 -3.104 1.00 42.02 H new ATOM 0 HG SER A 25 7.884 -8.329 -2.856 1.00 14.12 H new ATOM 429 N THR A 26 6.963 -8.859 -5.868 1.00 44.32 N ATOM 430 CA THR A 26 6.969 -9.987 -6.828 1.00 23.12 C ATOM 431 C THR A 26 5.761 -9.931 -7.792 1.00 61.43 C ATOM 432 O THR A 26 4.687 -9.476 -7.400 1.00 75.50 O ATOM 433 CB THR A 26 6.948 -11.367 -6.083 1.00 44.22 C ATOM 434 OG1 THR A 26 5.841 -11.429 -5.163 1.00 73.43 O ATOM 435 CG2 THR A 26 8.267 -11.626 -5.339 1.00 71.04 C ATOM 0 H THR A 26 6.458 -9.062 -5.005 1.00 44.32 H new ATOM 0 HA THR A 26 7.889 -9.892 -7.404 1.00 23.12 H new ATOM 0 HB THR A 26 6.827 -12.145 -6.837 1.00 44.22 H new ATOM 0 HG1 THR A 26 5.303 -10.614 -5.243 1.00 73.43 H new ATOM 0 HG21 THR A 26 8.217 -12.591 -4.834 1.00 71.04 H new ATOM 0 HG22 THR A 26 9.092 -11.632 -6.052 1.00 71.04 H new ATOM 0 HG23 THR A 26 8.430 -10.839 -4.602 1.00 71.04 H new ATOM 443 N PRO A 27 5.924 -10.420 -9.067 1.00 31.12 N ATOM 444 CA PRO A 27 4.816 -10.510 -10.057 1.00 55.41 C ATOM 445 C PRO A 27 3.631 -11.378 -9.552 1.00 51.11 C ATOM 446 O PRO A 27 2.538 -10.864 -9.340 1.00 74.11 O ATOM 447 CB PRO A 27 5.502 -11.149 -11.305 1.00 0.04 C ATOM 448 CG PRO A 27 6.737 -11.806 -10.758 1.00 70.44 C ATOM 449 CD PRO A 27 7.201 -10.897 -9.658 1.00 42.31 C ATOM 0 HA PRO A 27 4.366 -9.539 -10.261 1.00 55.41 H new ATOM 0 HB2 PRO A 27 4.848 -11.874 -11.790 1.00 0.04 H new ATOM 0 HB3 PRO A 27 5.751 -10.395 -12.051 1.00 0.04 H new ATOM 0 HG2 PRO A 27 6.519 -12.805 -10.380 1.00 70.44 H new ATOM 0 HG3 PRO A 27 7.500 -11.916 -11.528 1.00 70.44 H new ATOM 0 HD2 PRO A 27 7.813 -11.426 -8.927 1.00 42.31 H new ATOM 0 HD3 PRO A 27 7.803 -10.073 -10.041 1.00 42.31 H new ATOM 457 N THR A 28 3.891 -12.687 -9.321 1.00 50.42 N ATOM 458 CA THR A 28 2.865 -13.690 -8.927 1.00 25.00 C ATOM 459 C THR A 28 2.131 -13.327 -7.611 1.00 14.10 C ATOM 460 O THR A 28 0.930 -13.601 -7.463 1.00 14.13 O ATOM 461 CB THR A 28 3.511 -15.110 -8.788 1.00 50.25 C ATOM 462 OG1 THR A 28 4.562 -15.079 -7.798 1.00 34.34 O ATOM 463 CG2 THR A 28 4.084 -15.613 -10.130 1.00 63.14 C ATOM 0 H THR A 28 4.827 -13.083 -9.403 1.00 50.42 H new ATOM 0 HA THR A 28 2.121 -13.692 -9.724 1.00 25.00 H new ATOM 0 HB THR A 28 2.726 -15.799 -8.476 1.00 50.25 H new ATOM 0 HG1 THR A 28 4.960 -15.971 -7.715 1.00 34.34 H new ATOM 0 HG21 THR A 28 4.523 -16.601 -9.991 1.00 63.14 H new ATOM 0 HG22 THR A 28 3.284 -15.672 -10.868 1.00 63.14 H new ATOM 0 HG23 THR A 28 4.850 -14.922 -10.480 1.00 63.14 H new ATOM 471 N GLY A 29 2.866 -12.710 -6.670 1.00 60.13 N ATOM 472 CA GLY A 29 2.279 -12.216 -5.417 1.00 1.41 C ATOM 473 C GLY A 29 1.353 -11.005 -5.606 1.00 12.01 C ATOM 474 O GLY A 29 0.307 -10.918 -4.967 1.00 50.12 O ATOM 0 H GLY A 29 3.868 -12.542 -6.756 1.00 60.13 H new ATOM 0 HA2 GLY A 29 1.717 -13.023 -4.946 1.00 1.41 H new ATOM 0 HA3 GLY A 29 3.082 -11.945 -4.732 1.00 1.41 H new ATOM 478 N LEU A 30 1.758 -10.073 -6.487 1.00 64.13 N ATOM 479 CA LEU A 30 1.006 -8.817 -6.757 1.00 61.33 C ATOM 480 C LEU A 30 -0.263 -9.060 -7.617 1.00 21.03 C ATOM 481 O LEU A 30 -1.362 -8.674 -7.219 1.00 53.11 O ATOM 482 CB LEU A 30 1.937 -7.796 -7.456 1.00 24.04 C ATOM 483 CG LEU A 30 1.390 -6.349 -7.655 1.00 61.14 C ATOM 484 CD1 LEU A 30 0.849 -5.742 -6.347 1.00 50.40 C ATOM 485 CD2 LEU A 30 2.480 -5.448 -8.264 1.00 75.54 C ATOM 0 H LEU A 30 2.614 -10.161 -7.035 1.00 64.13 H new ATOM 0 HA LEU A 30 0.670 -8.421 -5.799 1.00 61.33 H new ATOM 0 HB2 LEU A 30 2.860 -7.731 -6.880 1.00 24.04 H new ATOM 0 HB3 LEU A 30 2.200 -8.195 -8.436 1.00 24.04 H new ATOM 0 HG LEU A 30 0.549 -6.410 -8.346 1.00 61.14 H new ATOM 0 HD11 LEU A 30 0.480 -4.734 -6.539 1.00 50.40 H new ATOM 0 HD12 LEU A 30 0.035 -6.360 -5.968 1.00 50.40 H new ATOM 0 HD13 LEU A 30 1.648 -5.701 -5.607 1.00 50.40 H new ATOM 0 HD21 LEU A 30 2.086 -4.441 -8.398 1.00 75.54 H new ATOM 0 HD22 LEU A 30 3.340 -5.415 -7.596 1.00 75.54 H new ATOM 0 HD23 LEU A 30 2.786 -5.850 -9.230 1.00 75.54 H new ATOM 497 N GLU A 31 -0.099 -9.717 -8.789 1.00 13.20 N ATOM 498 CA GLU A 31 -1.213 -9.979 -9.756 1.00 55.25 C ATOM 499 C GLU A 31 -2.322 -10.891 -9.176 1.00 24.53 C ATOM 500 O GLU A 31 -3.398 -11.029 -9.771 1.00 75.42 O ATOM 501 CB GLU A 31 -0.660 -10.565 -11.083 1.00 72.50 C ATOM 502 CG GLU A 31 0.021 -11.947 -10.974 1.00 44.51 C ATOM 503 CD GLU A 31 0.762 -12.352 -12.266 1.00 3.02 C ATOM 504 OE1 GLU A 31 0.094 -12.622 -13.282 1.00 23.20 O ATOM 505 OE2 GLU A 31 2.010 -12.361 -12.286 1.00 64.13 O ATOM 0 H GLU A 31 0.802 -10.083 -9.098 1.00 13.20 H new ATOM 0 HA GLU A 31 -1.680 -9.015 -9.957 1.00 55.25 H new ATOM 0 HB2 GLU A 31 -1.482 -10.641 -11.795 1.00 72.50 H new ATOM 0 HB3 GLU A 31 0.058 -9.859 -11.499 1.00 72.50 H new ATOM 0 HG2 GLU A 31 0.728 -11.934 -10.144 1.00 44.51 H new ATOM 0 HG3 GLU A 31 -0.731 -12.700 -10.741 1.00 44.51 H new ATOM 512 N ASP A 32 -2.030 -11.519 -8.026 1.00 71.31 N ATOM 513 CA ASP A 32 -3.010 -12.277 -7.228 1.00 31.15 C ATOM 514 C ASP A 32 -4.199 -11.376 -6.767 1.00 0.31 C ATOM 515 O ASP A 32 -5.359 -11.809 -6.753 1.00 1.23 O ATOM 516 CB ASP A 32 -2.272 -12.887 -6.009 1.00 55.21 C ATOM 517 CG ASP A 32 -3.184 -13.721 -5.092 1.00 23.52 C ATOM 518 OD1 ASP A 32 -3.575 -14.838 -5.492 1.00 1.14 O ATOM 519 OD2 ASP A 32 -3.497 -13.269 -3.970 1.00 42.04 O ATOM 0 H ASP A 32 -1.095 -11.515 -7.618 1.00 71.31 H new ATOM 0 HA ASP A 32 -3.441 -13.069 -7.841 1.00 31.15 H new ATOM 0 HB2 ASP A 32 -1.456 -13.516 -6.366 1.00 55.21 H new ATOM 0 HB3 ASP A 32 -1.823 -12.082 -5.427 1.00 55.21 H new ATOM 524 N TRP A 33 -3.893 -10.109 -6.431 1.00 20.11 N ATOM 525 CA TRP A 33 -4.862 -9.164 -5.817 1.00 51.22 C ATOM 526 C TRP A 33 -4.654 -7.698 -6.289 1.00 55.41 C ATOM 527 O TRP A 33 -5.186 -6.770 -5.678 1.00 62.15 O ATOM 528 CB TRP A 33 -4.767 -9.272 -4.265 1.00 40.24 C ATOM 529 CG TRP A 33 -3.408 -8.924 -3.674 1.00 41.30 C ATOM 530 CD1 TRP A 33 -2.198 -9.474 -3.997 1.00 23.43 C ATOM 531 CD2 TRP A 33 -3.137 -7.980 -2.629 1.00 32.33 C ATOM 532 NE1 TRP A 33 -1.201 -8.916 -3.246 1.00 74.32 N ATOM 533 CE2 TRP A 33 -1.748 -7.999 -2.396 1.00 42.51 C ATOM 534 CE3 TRP A 33 -3.936 -7.113 -1.881 1.00 41.23 C ATOM 535 CZ2 TRP A 33 -1.143 -7.191 -1.438 1.00 33.52 C ATOM 536 CZ3 TRP A 33 -3.335 -6.313 -0.929 1.00 13.03 C ATOM 537 CH2 TRP A 33 -1.948 -6.354 -0.719 1.00 75.01 C ATOM 0 H TRP A 33 -2.968 -9.705 -6.575 1.00 20.11 H new ATOM 0 HA TRP A 33 -5.862 -9.445 -6.146 1.00 51.22 H new ATOM 0 HB2 TRP A 33 -5.516 -8.614 -3.824 1.00 40.24 H new ATOM 0 HB3 TRP A 33 -5.024 -10.290 -3.971 1.00 40.24 H new ATOM 0 HD1 TRP A 33 -2.051 -10.242 -4.742 1.00 23.43 H new ATOM 0 HE1 TRP A 33 -0.210 -9.147 -3.311 1.00 74.32 H new ATOM 0 HE3 TRP A 33 -5.003 -7.069 -2.044 1.00 41.23 H new ATOM 0 HZ2 TRP A 33 -0.077 -7.225 -1.269 1.00 33.52 H new ATOM 0 HZ3 TRP A 33 -3.942 -5.645 -0.336 1.00 13.03 H new ATOM 0 HH2 TRP A 33 -1.508 -5.710 0.027 1.00 75.01 H new ATOM 548 N PHE A 34 -3.900 -7.505 -7.384 1.00 24.33 N ATOM 549 CA PHE A 34 -3.672 -6.169 -7.998 1.00 55.52 C ATOM 550 C PHE A 34 -3.423 -6.344 -9.508 1.00 52.30 C ATOM 551 O PHE A 34 -2.494 -7.058 -9.887 1.00 1.22 O ATOM 552 CB PHE A 34 -2.453 -5.464 -7.344 1.00 64.40 C ATOM 553 CG PHE A 34 -2.406 -3.941 -7.547 1.00 31.31 C ATOM 554 CD1 PHE A 34 -1.898 -3.386 -8.725 1.00 3.23 C ATOM 555 CD2 PHE A 34 -2.873 -3.066 -6.563 1.00 74.13 C ATOM 556 CE1 PHE A 34 -1.853 -2.015 -8.909 1.00 61.31 C ATOM 557 CE2 PHE A 34 -2.824 -1.695 -6.750 1.00 73.21 C ATOM 558 CZ PHE A 34 -2.317 -1.170 -7.923 1.00 20.42 C ATOM 0 H PHE A 34 -3.428 -8.265 -7.875 1.00 24.33 H new ATOM 0 HA PHE A 34 -4.554 -5.549 -7.835 1.00 55.52 H new ATOM 0 HB2 PHE A 34 -2.460 -5.674 -6.274 1.00 64.40 H new ATOM 0 HB3 PHE A 34 -1.539 -5.899 -7.748 1.00 64.40 H new ATOM 0 HD1 PHE A 34 -1.534 -4.038 -9.505 1.00 3.23 H new ATOM 0 HD2 PHE A 34 -3.278 -3.464 -5.644 1.00 74.13 H new ATOM 0 HE1 PHE A 34 -1.454 -1.607 -9.826 1.00 61.31 H new ATOM 0 HE2 PHE A 34 -3.184 -1.033 -5.976 1.00 73.21 H new ATOM 0 HZ PHE A 34 -2.284 -0.100 -8.067 1.00 20.42 H new ATOM 568 N ALA A 35 -4.238 -5.669 -10.353 1.00 75.41 N ATOM 569 CA ALA A 35 -4.224 -5.838 -11.831 1.00 25.34 C ATOM 570 C ALA A 35 -4.616 -7.278 -12.267 1.00 43.23 C ATOM 571 O ALA A 35 -4.756 -8.189 -11.440 1.00 63.33 O ATOM 572 CB ALA A 35 -2.871 -5.409 -12.449 1.00 30.14 C ATOM 0 H ALA A 35 -4.927 -4.989 -10.031 1.00 75.41 H new ATOM 0 HA ALA A 35 -4.990 -5.169 -12.223 1.00 25.34 H new ATOM 0 HB1 ALA A 35 -2.904 -5.549 -13.530 1.00 30.14 H new ATOM 0 HB2 ALA A 35 -2.685 -4.359 -12.224 1.00 30.14 H new ATOM 0 HB3 ALA A 35 -2.070 -6.017 -12.029 1.00 30.14 H new ATOM 578 N ASP A 36 -4.826 -7.463 -13.579 1.00 4.13 N ATOM 579 CA ASP A 36 -5.189 -8.779 -14.155 1.00 41.11 C ATOM 580 C ASP A 36 -3.942 -9.682 -14.316 1.00 33.12 C ATOM 581 O ASP A 36 -3.986 -10.877 -14.006 1.00 50.41 O ATOM 582 CB ASP A 36 -5.912 -8.576 -15.504 1.00 4.12 C ATOM 583 CG ASP A 36 -7.189 -7.733 -15.342 1.00 3.00 C ATOM 584 OD1 ASP A 36 -7.103 -6.492 -15.422 1.00 51.20 O ATOM 585 OD2 ASP A 36 -8.272 -8.300 -15.094 1.00 44.25 O ATOM 0 H ASP A 36 -4.751 -6.716 -14.270 1.00 4.13 H new ATOM 0 HA ASP A 36 -5.867 -9.287 -13.469 1.00 41.11 H new ATOM 0 HB2 ASP A 36 -5.239 -8.086 -16.208 1.00 4.12 H new ATOM 0 HB3 ASP A 36 -6.168 -9.546 -15.930 1.00 4.12 H new ATOM 590 N LYS A 37 -2.832 -9.089 -14.797 1.00 73.41 N ATOM 591 CA LYS A 37 -1.539 -9.791 -14.949 1.00 74.10 C ATOM 592 C LYS A 37 -0.376 -8.791 -14.728 1.00 41.01 C ATOM 593 O LYS A 37 -0.439 -7.648 -15.179 1.00 65.13 O ATOM 594 CB LYS A 37 -1.471 -10.478 -16.359 1.00 5.32 C ATOM 595 CG LYS A 37 -0.418 -11.615 -16.508 1.00 21.20 C ATOM 596 CD LYS A 37 1.033 -11.111 -16.725 1.00 61.54 C ATOM 597 CE LYS A 37 2.091 -12.229 -16.630 1.00 4.11 C ATOM 598 NZ LYS A 37 2.179 -12.806 -15.261 1.00 41.14 N ATOM 0 H LYS A 37 -2.804 -8.113 -15.091 1.00 73.41 H new ATOM 0 HA LYS A 37 -1.447 -10.576 -14.198 1.00 74.10 H new ATOM 0 HB2 LYS A 37 -2.455 -10.887 -16.591 1.00 5.32 H new ATOM 0 HB3 LYS A 37 -1.260 -9.712 -17.106 1.00 5.32 H new ATOM 0 HG2 LYS A 37 -0.444 -12.239 -15.615 1.00 21.20 H new ATOM 0 HG3 LYS A 37 -0.700 -12.249 -17.348 1.00 21.20 H new ATOM 0 HD2 LYS A 37 1.103 -10.638 -17.704 1.00 61.54 H new ATOM 0 HD3 LYS A 37 1.258 -10.344 -15.984 1.00 61.54 H new ATOM 0 HE2 LYS A 37 1.847 -13.019 -17.340 1.00 4.11 H new ATOM 0 HE3 LYS A 37 3.064 -11.831 -16.918 1.00 4.11 H new ATOM 0 HZ1 LYS A 37 2.317 -13.835 -15.326 1.00 41.14 H new ATOM 0 HZ2 LYS A 37 2.982 -12.380 -14.756 1.00 41.14 H new ATOM 0 HZ3 LYS A 37 1.299 -12.607 -14.743 1.00 41.14 H new ATOM 612 N VAL A 38 0.676 -9.235 -14.010 1.00 0.22 N ATOM 613 CA VAL A 38 1.903 -8.439 -13.771 1.00 11.21 C ATOM 614 C VAL A 38 3.156 -9.149 -14.360 1.00 14.33 C ATOM 615 O VAL A 38 3.474 -10.282 -13.997 1.00 33.15 O ATOM 616 CB VAL A 38 2.106 -8.151 -12.235 1.00 62.34 C ATOM 617 CG1 VAL A 38 3.473 -7.482 -11.958 1.00 50.12 C ATOM 618 CG2 VAL A 38 0.947 -7.281 -11.673 1.00 53.02 C ATOM 0 H VAL A 38 0.701 -10.158 -13.577 1.00 0.22 H new ATOM 0 HA VAL A 38 1.778 -7.485 -14.283 1.00 11.21 H new ATOM 0 HB VAL A 38 2.095 -9.112 -11.720 1.00 62.34 H new ATOM 0 HG11 VAL A 38 3.578 -7.298 -10.889 1.00 50.12 H new ATOM 0 HG12 VAL A 38 4.275 -8.140 -12.294 1.00 50.12 H new ATOM 0 HG13 VAL A 38 3.531 -6.536 -12.496 1.00 50.12 H new ATOM 0 HG21 VAL A 38 1.112 -7.097 -10.611 1.00 53.02 H new ATOM 0 HG22 VAL A 38 0.915 -6.330 -12.205 1.00 53.02 H new ATOM 0 HG23 VAL A 38 0.001 -7.805 -11.808 1.00 53.02 H new ATOM 628 N VAL A 39 3.825 -8.470 -15.304 1.00 13.12 N ATOM 629 CA VAL A 39 5.139 -8.884 -15.848 1.00 23.22 C ATOM 630 C VAL A 39 6.274 -8.117 -15.123 1.00 11.05 C ATOM 631 O VAL A 39 6.290 -6.885 -15.117 1.00 42.32 O ATOM 632 CB VAL A 39 5.226 -8.589 -17.397 1.00 61.02 C ATOM 633 CG1 VAL A 39 6.550 -9.117 -18.012 1.00 12.32 C ATOM 634 CG2 VAL A 39 3.996 -9.155 -18.151 1.00 32.11 C ATOM 0 H VAL A 39 3.470 -7.608 -15.719 1.00 13.12 H new ATOM 0 HA VAL A 39 5.250 -9.956 -15.685 1.00 23.22 H new ATOM 0 HB VAL A 39 5.221 -7.506 -17.516 1.00 61.02 H new ATOM 0 HG11 VAL A 39 6.570 -8.894 -19.079 1.00 12.32 H new ATOM 0 HG12 VAL A 39 7.396 -8.633 -17.524 1.00 12.32 H new ATOM 0 HG13 VAL A 39 6.615 -10.195 -17.866 1.00 12.32 H new ATOM 0 HG21 VAL A 39 4.088 -8.934 -19.214 1.00 32.11 H new ATOM 0 HG22 VAL A 39 3.946 -10.234 -18.007 1.00 32.11 H new ATOM 0 HG23 VAL A 39 3.088 -8.695 -17.762 1.00 32.11 H new ATOM 644 N SER A 40 7.221 -8.851 -14.514 1.00 21.21 N ATOM 645 CA SER A 40 8.352 -8.241 -13.772 1.00 64.32 C ATOM 646 C SER A 40 9.616 -8.097 -14.655 1.00 74.52 C ATOM 647 O SER A 40 10.019 -9.030 -15.357 1.00 22.01 O ATOM 648 CB SER A 40 8.686 -9.076 -12.522 1.00 71.10 C ATOM 649 OG SER A 40 9.142 -10.381 -12.858 1.00 2.21 O ATOM 0 H SER A 40 7.231 -9.871 -14.518 1.00 21.21 H new ATOM 0 HA SER A 40 8.037 -7.242 -13.472 1.00 64.32 H new ATOM 0 HB2 SER A 40 9.451 -8.564 -11.938 1.00 71.10 H new ATOM 0 HB3 SER A 40 7.801 -9.153 -11.890 1.00 71.10 H new ATOM 0 HG SER A 40 9.345 -10.878 -12.038 1.00 2.21 H new ATOM 655 N ASP A 41 10.203 -6.895 -14.617 1.00 33.14 N ATOM 656 CA ASP A 41 11.506 -6.557 -15.238 1.00 72.52 C ATOM 657 C ASP A 41 12.575 -6.374 -14.127 1.00 65.50 C ATOM 658 O ASP A 41 13.441 -5.486 -14.215 1.00 52.44 O ATOM 659 CB ASP A 41 11.342 -5.259 -16.079 1.00 30.04 C ATOM 660 CG ASP A 41 10.162 -5.339 -17.057 1.00 4.42 C ATOM 661 OD1 ASP A 41 9.021 -5.053 -16.641 1.00 35.13 O ATOM 662 OD2 ASP A 41 10.368 -5.708 -18.229 1.00 10.32 O ATOM 0 H ASP A 41 9.777 -6.100 -14.140 1.00 33.14 H new ATOM 0 HA ASP A 41 11.834 -7.361 -15.897 1.00 72.52 H new ATOM 0 HB2 ASP A 41 11.198 -4.411 -15.409 1.00 30.04 H new ATOM 0 HB3 ASP A 41 12.260 -5.072 -16.636 1.00 30.04 H new ATOM 667 N ASP A 42 12.492 -7.249 -13.097 1.00 73.42 N ATOM 668 CA ASP A 42 13.349 -7.224 -11.888 1.00 73.53 C ATOM 669 C ASP A 42 13.117 -5.935 -11.033 1.00 44.44 C ATOM 670 O ASP A 42 12.332 -5.945 -10.078 1.00 15.13 O ATOM 671 CB ASP A 42 14.852 -7.432 -12.267 1.00 3.23 C ATOM 672 CG ASP A 42 15.787 -7.505 -11.049 1.00 62.43 C ATOM 673 OD1 ASP A 42 15.912 -8.593 -10.446 1.00 51.52 O ATOM 674 OD2 ASP A 42 16.381 -6.473 -10.669 1.00 72.25 O ATOM 0 H ASP A 42 11.812 -8.009 -13.083 1.00 73.42 H new ATOM 0 HA ASP A 42 13.058 -8.061 -11.253 1.00 73.53 H new ATOM 0 HB2 ASP A 42 14.949 -8.351 -12.845 1.00 3.23 H new ATOM 0 HB3 ASP A 42 15.172 -6.614 -12.912 1.00 3.23 H new ATOM 679 N LYS A 43 13.781 -4.819 -11.412 1.00 13.22 N ATOM 680 CA LYS A 43 13.699 -3.518 -10.688 1.00 21.14 C ATOM 681 C LYS A 43 12.522 -2.631 -11.189 1.00 70.34 C ATOM 682 O LYS A 43 12.337 -1.499 -10.723 1.00 24.15 O ATOM 683 CB LYS A 43 15.042 -2.756 -10.836 1.00 11.24 C ATOM 684 CG LYS A 43 15.392 -2.352 -12.290 1.00 42.15 C ATOM 685 CD LYS A 43 16.736 -1.598 -12.389 1.00 50.20 C ATOM 686 CE LYS A 43 17.040 -1.110 -13.817 1.00 74.24 C ATOM 687 NZ LYS A 43 18.330 -0.377 -13.887 1.00 74.04 N ATOM 0 H LYS A 43 14.391 -4.789 -12.229 1.00 13.22 H new ATOM 0 HA LYS A 43 13.507 -3.737 -9.638 1.00 21.14 H new ATOM 0 HB2 LYS A 43 15.005 -1.857 -10.221 1.00 11.24 H new ATOM 0 HB3 LYS A 43 15.845 -3.379 -10.442 1.00 11.24 H new ATOM 0 HG2 LYS A 43 15.435 -3.246 -12.912 1.00 42.15 H new ATOM 0 HG3 LYS A 43 14.596 -1.723 -12.690 1.00 42.15 H new ATOM 0 HD2 LYS A 43 16.719 -0.743 -11.713 1.00 50.20 H new ATOM 0 HD3 LYS A 43 17.541 -2.253 -12.054 1.00 50.20 H new ATOM 0 HE2 LYS A 43 17.070 -1.964 -14.494 1.00 74.24 H new ATOM 0 HE3 LYS A 43 16.234 -0.460 -14.158 1.00 74.24 H new ATOM 0 HZ1 LYS A 43 18.499 -0.065 -14.864 1.00 74.04 H new ATOM 0 HZ2 LYS A 43 18.293 0.452 -13.260 1.00 74.04 H new ATOM 0 HZ3 LYS A 43 19.103 -1.004 -13.586 1.00 74.04 H new ATOM 701 N THR A 44 11.746 -3.157 -12.151 1.00 12.22 N ATOM 702 CA THR A 44 10.530 -2.497 -12.688 1.00 62.52 C ATOM 703 C THR A 44 9.356 -3.504 -12.684 1.00 14.33 C ATOM 704 O THR A 44 9.558 -4.689 -12.920 1.00 32.10 O ATOM 705 CB THR A 44 10.781 -1.943 -14.141 1.00 72.31 C ATOM 706 OG1 THR A 44 11.870 -0.998 -14.125 1.00 61.20 O ATOM 707 CG2 THR A 44 9.535 -1.260 -14.743 1.00 24.23 C ATOM 0 H THR A 44 11.941 -4.059 -12.586 1.00 12.22 H new ATOM 0 HA THR A 44 10.279 -1.648 -12.052 1.00 62.52 H new ATOM 0 HB THR A 44 11.024 -2.802 -14.766 1.00 72.31 H new ATOM 0 HG1 THR A 44 12.022 -0.659 -15.032 1.00 61.20 H new ATOM 0 HG21 THR A 44 9.767 -0.898 -15.745 1.00 24.23 H new ATOM 0 HG22 THR A 44 8.717 -1.978 -14.797 1.00 24.23 H new ATOM 0 HG23 THR A 44 9.240 -0.421 -14.113 1.00 24.23 H new ATOM 715 N VAL A 45 8.146 -3.019 -12.380 1.00 74.34 N ATOM 716 CA VAL A 45 6.917 -3.838 -12.301 1.00 21.40 C ATOM 717 C VAL A 45 5.885 -3.351 -13.352 1.00 11.34 C ATOM 718 O VAL A 45 5.240 -2.314 -13.166 1.00 43.12 O ATOM 719 CB VAL A 45 6.302 -3.764 -10.848 1.00 70.44 C ATOM 720 CG1 VAL A 45 4.981 -4.556 -10.749 1.00 30.53 C ATOM 721 CG2 VAL A 45 7.317 -4.252 -9.782 1.00 52.44 C ATOM 0 H VAL A 45 7.984 -2.032 -12.178 1.00 74.34 H new ATOM 0 HA VAL A 45 7.171 -4.876 -12.516 1.00 21.40 H new ATOM 0 HB VAL A 45 6.077 -2.717 -10.646 1.00 70.44 H new ATOM 0 HG11 VAL A 45 4.588 -4.482 -9.735 1.00 30.53 H new ATOM 0 HG12 VAL A 45 4.256 -4.143 -11.451 1.00 30.53 H new ATOM 0 HG13 VAL A 45 5.165 -5.603 -10.991 1.00 30.53 H new ATOM 0 HG21 VAL A 45 6.864 -4.189 -8.793 1.00 52.44 H new ATOM 0 HG22 VAL A 45 7.594 -5.286 -9.989 1.00 52.44 H new ATOM 0 HG23 VAL A 45 8.208 -3.625 -9.814 1.00 52.44 H new ATOM 731 N THR A 46 5.741 -4.098 -14.460 1.00 25.10 N ATOM 732 CA THR A 46 4.816 -3.739 -15.559 1.00 5.45 C ATOM 733 C THR A 46 3.460 -4.455 -15.386 1.00 54.22 C ATOM 734 O THR A 46 3.386 -5.680 -15.436 1.00 33.04 O ATOM 735 CB THR A 46 5.419 -4.090 -16.964 1.00 42.31 C ATOM 736 OG1 THR A 46 6.686 -3.437 -17.119 1.00 42.23 O ATOM 737 CG2 THR A 46 4.500 -3.665 -18.128 1.00 2.34 C ATOM 0 H THR A 46 6.257 -4.963 -14.623 1.00 25.10 H new ATOM 0 HA THR A 46 4.665 -2.661 -15.511 1.00 5.45 H new ATOM 0 HB THR A 46 5.528 -5.174 -17.002 1.00 42.31 H new ATOM 0 HG1 THR A 46 7.407 -4.074 -16.932 1.00 42.23 H new ATOM 0 HG21 THR A 46 4.967 -3.932 -19.076 1.00 2.34 H new ATOM 0 HG22 THR A 46 3.541 -4.175 -18.039 1.00 2.34 H new ATOM 0 HG23 THR A 46 4.342 -2.587 -18.092 1.00 2.34 H new ATOM 745 N PHE A 47 2.395 -3.675 -15.169 1.00 55.52 N ATOM 746 CA PHE A 47 1.007 -4.184 -15.086 1.00 0.33 C ATOM 747 C PHE A 47 0.420 -4.331 -16.501 1.00 43.42 C ATOM 748 O PHE A 47 0.832 -3.618 -17.415 1.00 74.24 O ATOM 749 CB PHE A 47 0.135 -3.206 -14.258 1.00 5.41 C ATOM 750 CG PHE A 47 0.745 -2.832 -12.912 1.00 54.35 C ATOM 751 CD1 PHE A 47 0.511 -3.597 -11.778 1.00 55.23 C ATOM 752 CD2 PHE A 47 1.573 -1.721 -12.792 1.00 42.23 C ATOM 753 CE1 PHE A 47 1.080 -3.256 -10.571 1.00 25.43 C ATOM 754 CE2 PHE A 47 2.140 -1.380 -11.584 1.00 51.43 C ATOM 755 CZ PHE A 47 1.895 -2.149 -10.471 1.00 23.20 C ATOM 0 H PHE A 47 2.465 -2.665 -15.044 1.00 55.52 H new ATOM 0 HA PHE A 47 1.014 -5.158 -14.597 1.00 0.33 H new ATOM 0 HB2 PHE A 47 -0.028 -2.298 -14.838 1.00 5.41 H new ATOM 0 HB3 PHE A 47 -0.843 -3.657 -14.091 1.00 5.41 H new ATOM 0 HD1 PHE A 47 -0.124 -4.468 -11.843 1.00 55.23 H new ATOM 0 HD2 PHE A 47 1.775 -1.114 -13.662 1.00 42.23 H new ATOM 0 HE1 PHE A 47 0.886 -3.860 -9.697 1.00 25.43 H new ATOM 0 HE2 PHE A 47 2.776 -0.510 -11.511 1.00 51.43 H new ATOM 0 HZ PHE A 47 2.339 -1.887 -9.522 1.00 23.20 H new ATOM 765 N CYS A 48 -0.540 -5.245 -16.674 1.00 72.13 N ATOM 766 CA CYS A 48 -1.181 -5.508 -17.980 1.00 1.22 C ATOM 767 C CYS A 48 -2.719 -5.486 -17.839 1.00 73.12 C ATOM 768 O CYS A 48 -3.309 -6.351 -17.176 1.00 13.13 O ATOM 769 CB CYS A 48 -0.696 -6.867 -18.535 1.00 74.23 C ATOM 770 SG CYS A 48 1.097 -6.965 -18.762 1.00 53.44 S ATOM 0 H CYS A 48 -0.899 -5.827 -15.917 1.00 72.13 H new ATOM 0 HA CYS A 48 -0.898 -4.724 -18.682 1.00 1.22 H new ATOM 0 HB2 CYS A 48 -1.011 -7.659 -17.856 1.00 74.23 H new ATOM 0 HB3 CYS A 48 -1.185 -7.054 -19.491 1.00 74.23 H new ATOM 0 HG CYS A 48 1.412 -8.137 -19.227 1.00 53.44 H new ATOM 776 N TRP A 49 -3.348 -4.465 -18.450 1.00 41.02 N ATOM 777 CA TRP A 49 -4.822 -4.310 -18.511 1.00 23.24 C ATOM 778 C TRP A 49 -5.339 -4.368 -19.973 1.00 43.21 C ATOM 779 O TRP A 49 -6.552 -4.374 -20.204 1.00 42.41 O ATOM 780 CB TRP A 49 -5.251 -2.974 -17.847 1.00 74.25 C ATOM 781 CG TRP A 49 -4.955 -2.895 -16.365 1.00 53.42 C ATOM 782 CD1 TRP A 49 -5.522 -3.649 -15.378 1.00 43.22 C ATOM 783 CD2 TRP A 49 -4.039 -2.007 -15.707 1.00 14.02 C ATOM 784 NE1 TRP A 49 -5.021 -3.286 -14.159 1.00 74.33 N ATOM 785 CE2 TRP A 49 -4.114 -2.279 -14.329 1.00 15.43 C ATOM 786 CE3 TRP A 49 -3.178 -1.005 -16.147 1.00 11.42 C ATOM 787 CZ2 TRP A 49 -3.349 -1.597 -13.388 1.00 0.12 C ATOM 788 CZ3 TRP A 49 -2.421 -0.326 -15.211 1.00 63.54 C ATOM 789 CH2 TRP A 49 -2.513 -0.621 -13.843 1.00 73.42 C ATOM 0 H TRP A 49 -2.845 -3.713 -18.922 1.00 41.02 H new ATOM 0 HA TRP A 49 -5.266 -5.141 -17.964 1.00 23.24 H new ATOM 0 HB2 TRP A 49 -4.744 -2.151 -18.352 1.00 74.25 H new ATOM 0 HB3 TRP A 49 -6.321 -2.832 -18.001 1.00 74.25 H new ATOM 0 HD1 TRP A 49 -6.260 -4.421 -15.537 1.00 43.22 H new ATOM 0 HE1 TRP A 49 -5.283 -3.701 -13.265 1.00 74.33 H new ATOM 0 HE3 TRP A 49 -3.103 -0.764 -17.197 1.00 11.42 H new ATOM 0 HZ2 TRP A 49 -3.415 -1.832 -12.336 1.00 0.12 H new ATOM 0 HZ3 TRP A 49 -1.744 0.448 -15.540 1.00 63.54 H new ATOM 0 HH2 TRP A 49 -1.912 -0.066 -13.138 1.00 73.42 H new ATOM 800 N GLY A 50 -4.419 -4.404 -20.960 1.00 44.34 N ATOM 801 CA GLY A 50 -4.821 -4.482 -22.375 1.00 5.12 C ATOM 802 C GLY A 50 -3.669 -4.715 -23.352 1.00 62.35 C ATOM 803 O GLY A 50 -2.517 -4.890 -22.942 1.00 31.13 O ATOM 0 H GLY A 50 -3.411 -4.381 -20.805 1.00 44.34 H new ATOM 0 HA2 GLY A 50 -5.546 -5.288 -22.489 1.00 5.12 H new ATOM 0 HA3 GLY A 50 -5.329 -3.556 -22.646 1.00 5.12 H new ATOM 807 N LYS A 51 -4.007 -4.705 -24.662 1.00 22.43 N ATOM 808 CA LYS A 51 -3.041 -4.933 -25.770 1.00 72.53 C ATOM 809 C LYS A 51 -1.954 -3.828 -25.836 1.00 74.45 C ATOM 810 O LYS A 51 -0.781 -4.112 -26.099 1.00 54.03 O ATOM 811 CB LYS A 51 -3.804 -5.037 -27.127 1.00 1.22 C ATOM 812 CG LYS A 51 -4.674 -3.803 -27.495 1.00 14.51 C ATOM 813 CD LYS A 51 -5.427 -3.952 -28.842 1.00 52.50 C ATOM 814 CE LYS A 51 -6.445 -5.115 -28.838 1.00 41.11 C ATOM 815 NZ LYS A 51 -7.194 -5.222 -30.118 1.00 52.54 N ATOM 0 H LYS A 51 -4.960 -4.538 -24.985 1.00 22.43 H new ATOM 0 HA LYS A 51 -2.526 -5.873 -25.573 1.00 72.53 H new ATOM 0 HB2 LYS A 51 -3.077 -5.199 -27.923 1.00 1.22 H new ATOM 0 HB3 LYS A 51 -4.446 -5.918 -27.098 1.00 1.22 H new ATOM 0 HG2 LYS A 51 -5.400 -3.631 -26.700 1.00 14.51 H new ATOM 0 HG3 LYS A 51 -4.036 -2.920 -27.541 1.00 14.51 H new ATOM 0 HD2 LYS A 51 -5.948 -3.021 -29.066 1.00 52.50 H new ATOM 0 HD3 LYS A 51 -4.703 -4.112 -29.641 1.00 52.50 H new ATOM 0 HE2 LYS A 51 -5.921 -6.052 -28.648 1.00 41.11 H new ATOM 0 HE3 LYS A 51 -7.150 -4.973 -28.019 1.00 41.11 H new ATOM 0 HZ1 LYS A 51 -7.863 -6.016 -30.063 1.00 52.54 H new ATOM 0 HZ2 LYS A 51 -7.718 -4.340 -30.289 1.00 52.54 H new ATOM 0 HZ3 LYS A 51 -6.526 -5.385 -30.898 1.00 52.54 H new ATOM 829 N THR A 52 -2.371 -2.567 -25.608 1.00 12.14 N ATOM 830 CA THR A 52 -1.465 -1.388 -25.554 1.00 32.21 C ATOM 831 C THR A 52 -1.625 -0.622 -24.217 1.00 72.54 C ATOM 832 O THR A 52 -1.061 0.466 -24.042 1.00 14.42 O ATOM 833 CB THR A 52 -1.724 -0.410 -26.752 1.00 44.21 C ATOM 834 OG1 THR A 52 -3.080 0.070 -26.715 1.00 74.45 O ATOM 835 CG2 THR A 52 -1.455 -1.076 -28.121 1.00 40.11 C ATOM 0 H THR A 52 -3.351 -2.330 -25.454 1.00 12.14 H new ATOM 0 HA THR A 52 -0.445 -1.767 -25.627 1.00 32.21 H new ATOM 0 HB THR A 52 -1.028 0.422 -26.641 1.00 44.21 H new ATOM 0 HG1 THR A 52 -3.231 0.681 -27.466 1.00 74.45 H new ATOM 0 HG21 THR A 52 -1.648 -0.359 -28.919 1.00 40.11 H new ATOM 0 HG22 THR A 52 -0.416 -1.401 -28.169 1.00 40.11 H new ATOM 0 HG23 THR A 52 -2.111 -1.938 -28.241 1.00 40.11 H new ATOM 843 N GLU A 53 -2.402 -1.193 -23.270 1.00 22.03 N ATOM 844 CA GLU A 53 -2.579 -0.612 -21.923 1.00 4.15 C ATOM 845 C GLU A 53 -1.743 -1.386 -20.883 1.00 13.34 C ATOM 846 O GLU A 53 -2.177 -2.405 -20.329 1.00 53.21 O ATOM 847 CB GLU A 53 -4.083 -0.555 -21.535 1.00 43.41 C ATOM 848 CG GLU A 53 -4.366 0.099 -20.160 1.00 75.53 C ATOM 849 CD GLU A 53 -5.846 0.473 -19.963 1.00 13.33 C ATOM 850 OE1 GLU A 53 -6.670 -0.419 -19.675 1.00 5.23 O ATOM 851 OE2 GLU A 53 -6.193 1.664 -20.125 1.00 53.01 O ATOM 0 H GLU A 53 -2.919 -2.060 -23.416 1.00 22.03 H new ATOM 0 HA GLU A 53 -2.213 0.415 -21.938 1.00 4.15 H new ATOM 0 HB2 GLU A 53 -4.623 -0.003 -22.304 1.00 43.41 H new ATOM 0 HB3 GLU A 53 -4.483 -1.569 -21.530 1.00 43.41 H new ATOM 0 HG2 GLU A 53 -4.062 -0.586 -19.369 1.00 75.53 H new ATOM 0 HG3 GLU A 53 -3.754 0.995 -20.058 1.00 75.53 H new ATOM 858 N GLN A 54 -0.513 -0.901 -20.673 1.00 62.21 N ATOM 859 CA GLN A 54 0.410 -1.409 -19.644 1.00 35.22 C ATOM 860 C GLN A 54 0.980 -0.223 -18.840 1.00 60.10 C ATOM 861 O GLN A 54 1.066 0.900 -19.355 1.00 60.54 O ATOM 862 CB GLN A 54 1.560 -2.259 -20.288 1.00 75.45 C ATOM 863 CG GLN A 54 2.694 -1.468 -21.002 1.00 2.00 C ATOM 864 CD GLN A 54 2.247 -0.653 -22.227 1.00 55.13 C ATOM 865 OE1 GLN A 54 1.335 -1.037 -22.947 1.00 4.34 O ATOM 866 NE2 GLN A 54 2.876 0.489 -22.453 1.00 40.14 N ATOM 0 H GLN A 54 -0.123 -0.133 -21.220 1.00 62.21 H new ATOM 0 HA GLN A 54 -0.137 -2.066 -18.968 1.00 35.22 H new ATOM 0 HB2 GLN A 54 2.011 -2.870 -19.506 1.00 75.45 H new ATOM 0 HB3 GLN A 54 1.115 -2.943 -21.010 1.00 75.45 H new ATOM 0 HG2 GLN A 54 3.153 -0.791 -20.282 1.00 2.00 H new ATOM 0 HG3 GLN A 54 3.466 -2.171 -21.315 1.00 2.00 H new ATOM 0 HE21 GLN A 54 3.633 0.785 -21.837 1.00 40.14 H new ATOM 0 HE22 GLN A 54 2.604 1.073 -23.244 1.00 40.14 H new ATOM 875 N ARG A 55 1.356 -0.470 -17.579 1.00 30.24 N ATOM 876 CA ARG A 55 1.964 0.555 -16.699 1.00 51.52 C ATOM 877 C ARG A 55 3.265 0.015 -16.086 1.00 72.32 C ATOM 878 O ARG A 55 3.220 -0.869 -15.244 1.00 73.12 O ATOM 879 CB ARG A 55 0.965 0.988 -15.569 1.00 15.44 C ATOM 880 CG ARG A 55 0.270 2.352 -15.781 1.00 51.52 C ATOM 881 CD ARG A 55 -0.665 2.399 -16.997 1.00 23.11 C ATOM 882 NE ARG A 55 -1.353 3.693 -17.103 1.00 33.13 N ATOM 883 CZ ARG A 55 -2.205 4.026 -18.043 1.00 74.10 C ATOM 884 NH1 ARG A 55 -2.474 3.230 -19.038 1.00 53.44 N ATOM 885 NH2 ARG A 55 -2.767 5.182 -17.982 1.00 4.34 N ATOM 0 H ARG A 55 1.251 -1.382 -17.134 1.00 30.24 H new ATOM 0 HA ARG A 55 2.193 1.434 -17.301 1.00 51.52 H new ATOM 0 HB2 ARG A 55 0.197 0.220 -15.473 1.00 15.44 H new ATOM 0 HB3 ARG A 55 1.505 1.019 -14.623 1.00 15.44 H new ATOM 0 HG2 ARG A 55 -0.303 2.598 -14.887 1.00 51.52 H new ATOM 0 HG3 ARG A 55 1.033 3.122 -15.893 1.00 51.52 H new ATOM 0 HD2 ARG A 55 -0.091 2.217 -17.905 1.00 23.11 H new ATOM 0 HD3 ARG A 55 -1.402 1.600 -16.920 1.00 23.11 H new ATOM 0 HE ARG A 55 -1.151 4.390 -16.386 1.00 33.13 H new ATOM 0 HH11 ARG A 55 -2.017 2.320 -19.101 1.00 53.44 H new ATOM 0 HH12 ARG A 55 -3.141 3.516 -19.754 1.00 53.44 H new ATOM 0 HH21 ARG A 55 -2.546 5.816 -17.214 1.00 4.34 H new ATOM 0 HH22 ARG A 55 -3.433 5.464 -18.701 1.00 4.34 H new ATOM 899 N GLN A 56 4.415 0.543 -16.514 1.00 60.51 N ATOM 900 CA GLN A 56 5.703 0.243 -15.862 1.00 35.54 C ATOM 901 C GLN A 56 5.835 1.093 -14.582 1.00 45.12 C ATOM 902 O GLN A 56 5.656 2.309 -14.625 1.00 31.41 O ATOM 903 CB GLN A 56 6.886 0.517 -16.828 1.00 33.44 C ATOM 904 CG GLN A 56 6.869 -0.329 -18.124 1.00 35.30 C ATOM 905 CD GLN A 56 8.182 -0.261 -18.925 1.00 3.54 C ATOM 906 OE1 GLN A 56 8.882 0.749 -18.920 1.00 12.54 O ATOM 907 NE2 GLN A 56 8.527 -1.337 -19.618 1.00 54.12 N ATOM 0 H GLN A 56 4.486 1.180 -17.308 1.00 60.51 H new ATOM 0 HA GLN A 56 5.732 -0.814 -15.596 1.00 35.54 H new ATOM 0 HB2 GLN A 56 6.880 1.573 -17.099 1.00 33.44 H new ATOM 0 HB3 GLN A 56 7.821 0.329 -16.299 1.00 33.44 H new ATOM 0 HG2 GLN A 56 6.664 -1.368 -17.866 1.00 35.30 H new ATOM 0 HG3 GLN A 56 6.049 0.010 -18.758 1.00 35.30 H new ATOM 0 HE21 GLN A 56 7.930 -2.164 -19.607 1.00 54.12 H new ATOM 0 HE22 GLN A 56 9.390 -1.338 -20.162 1.00 54.12 H new ATOM 916 N ALA A 57 6.106 0.440 -13.443 1.00 65.21 N ATOM 917 CA ALA A 57 6.307 1.119 -12.141 1.00 3.32 C ATOM 918 C ALA A 57 7.702 0.781 -11.578 1.00 44.52 C ATOM 919 O ALA A 57 7.984 -0.371 -11.254 1.00 15.55 O ATOM 920 CB ALA A 57 5.203 0.704 -11.144 1.00 43.54 C ATOM 0 H ALA A 57 6.193 -0.575 -13.391 1.00 65.21 H new ATOM 0 HA ALA A 57 6.245 2.197 -12.292 1.00 3.32 H new ATOM 0 HB1 ALA A 57 5.363 1.210 -10.192 1.00 43.54 H new ATOM 0 HB2 ALA A 57 4.228 0.983 -11.544 1.00 43.54 H new ATOM 0 HB3 ALA A 57 5.237 -0.375 -10.991 1.00 43.54 H new ATOM 926 N GLY A 58 8.556 1.802 -11.438 1.00 63.22 N ATOM 927 CA GLY A 58 9.913 1.621 -10.915 1.00 51.34 C ATOM 928 C GLY A 58 9.957 1.667 -9.389 1.00 24.21 C ATOM 929 O GLY A 58 9.340 2.550 -8.780 1.00 23.15 O ATOM 0 H GLY A 58 8.328 2.766 -11.681 1.00 63.22 H new ATOM 0 HA2 GLY A 58 10.308 0.665 -11.259 1.00 51.34 H new ATOM 0 HA3 GLY A 58 10.562 2.398 -11.319 1.00 51.34 H new ATOM 933 N ILE A 59 10.682 0.714 -8.769 1.00 21.01 N ATOM 934 CA ILE A 59 10.899 0.697 -7.301 1.00 32.33 C ATOM 935 C ILE A 59 11.780 1.908 -6.911 1.00 44.31 C ATOM 936 O ILE A 59 12.849 2.112 -7.498 1.00 41.45 O ATOM 937 CB ILE A 59 11.575 -0.656 -6.791 1.00 35.11 C ATOM 938 CG1 ILE A 59 10.606 -1.891 -6.918 1.00 33.54 C ATOM 939 CG2 ILE A 59 12.096 -0.536 -5.325 1.00 40.43 C ATOM 940 CD1 ILE A 59 10.280 -2.349 -8.329 1.00 23.32 C ATOM 0 H ILE A 59 11.130 -0.059 -9.261 1.00 21.01 H new ATOM 0 HA ILE A 59 9.923 0.759 -6.820 1.00 32.33 H new ATOM 0 HB ILE A 59 12.430 -0.826 -7.445 1.00 35.11 H new ATOM 0 HG12 ILE A 59 11.048 -2.729 -6.380 1.00 33.54 H new ATOM 0 HG13 ILE A 59 9.671 -1.646 -6.414 1.00 33.54 H new ATOM 0 HG21 ILE A 59 12.548 -1.480 -5.021 1.00 40.43 H new ATOM 0 HG22 ILE A 59 12.841 0.258 -5.267 1.00 40.43 H new ATOM 0 HG23 ILE A 59 11.264 -0.302 -4.661 1.00 40.43 H new ATOM 0 HD11 ILE A 59 9.606 -3.204 -8.287 1.00 23.32 H new ATOM 0 HD12 ILE A 59 9.801 -1.536 -8.874 1.00 23.32 H new ATOM 0 HD13 ILE A 59 11.199 -2.636 -8.840 1.00 23.32 H new ATOM 952 N VAL A 60 11.316 2.713 -5.941 1.00 62.33 N ATOM 953 CA VAL A 60 12.073 3.882 -5.447 1.00 15.24 C ATOM 954 C VAL A 60 13.105 3.401 -4.400 1.00 14.32 C ATOM 955 O VAL A 60 14.290 3.757 -4.460 1.00 52.22 O ATOM 956 CB VAL A 60 11.117 4.965 -4.814 1.00 63.25 C ATOM 957 CG1 VAL A 60 11.883 6.257 -4.424 1.00 72.51 C ATOM 958 CG2 VAL A 60 9.927 5.283 -5.754 1.00 42.41 C ATOM 0 H VAL A 60 10.416 2.577 -5.480 1.00 62.33 H new ATOM 0 HA VAL A 60 12.583 4.352 -6.288 1.00 15.24 H new ATOM 0 HB VAL A 60 10.714 4.539 -3.895 1.00 63.25 H new ATOM 0 HG11 VAL A 60 11.187 6.976 -3.992 1.00 72.51 H new ATOM 0 HG12 VAL A 60 12.655 6.016 -3.694 1.00 72.51 H new ATOM 0 HG13 VAL A 60 12.345 6.688 -5.312 1.00 72.51 H new ATOM 0 HG21 VAL A 60 9.287 6.033 -5.289 1.00 42.41 H new ATOM 0 HG22 VAL A 60 10.305 5.666 -6.702 1.00 42.41 H new ATOM 0 HG23 VAL A 60 9.352 4.375 -5.933 1.00 42.41 H new ATOM 968 N ALA A 61 12.623 2.556 -3.468 1.00 11.34 N ATOM 969 CA ALA A 61 13.444 1.940 -2.405 1.00 1.43 C ATOM 970 C ALA A 61 12.687 0.779 -1.723 1.00 45.01 C ATOM 971 O ALA A 61 11.455 0.666 -1.829 1.00 34.10 O ATOM 972 CB ALA A 61 13.874 2.984 -1.359 1.00 70.20 C ATOM 0 H ALA A 61 11.642 2.278 -3.431 1.00 11.34 H new ATOM 0 HA ALA A 61 14.341 1.538 -2.875 1.00 1.43 H new ATOM 0 HB1 ALA A 61 14.477 2.501 -0.590 1.00 70.20 H new ATOM 0 HB2 ALA A 61 14.461 3.764 -1.844 1.00 70.20 H new ATOM 0 HB3 ALA A 61 12.989 3.427 -0.902 1.00 70.20 H new ATOM 978 N ILE A 62 13.446 -0.088 -1.040 1.00 5.51 N ATOM 979 CA ILE A 62 12.897 -1.181 -0.208 1.00 25.33 C ATOM 980 C ILE A 62 13.944 -1.613 0.860 1.00 63.21 C ATOM 981 O ILE A 62 15.156 -1.526 0.628 1.00 31.54 O ATOM 982 CB ILE A 62 12.444 -2.423 -1.088 1.00 61.42 C ATOM 983 CG1 ILE A 62 11.819 -3.553 -0.191 1.00 73.45 C ATOM 984 CG2 ILE A 62 13.609 -2.955 -1.965 1.00 11.33 C ATOM 985 CD1 ILE A 62 11.345 -4.794 -0.929 1.00 21.24 C ATOM 0 H ILE A 62 14.465 -0.055 -1.045 1.00 5.51 H new ATOM 0 HA ILE A 62 12.007 -0.805 0.297 1.00 25.33 H new ATOM 0 HB ILE A 62 11.665 -2.082 -1.771 1.00 61.42 H new ATOM 0 HG12 ILE A 62 12.559 -3.854 0.550 1.00 73.45 H new ATOM 0 HG13 ILE A 62 10.974 -3.133 0.355 1.00 73.45 H new ATOM 0 HG21 ILE A 62 13.263 -3.805 -2.554 1.00 11.33 H new ATOM 0 HG22 ILE A 62 13.951 -2.165 -2.634 1.00 11.33 H new ATOM 0 HG23 ILE A 62 14.433 -3.269 -1.324 1.00 11.33 H new ATOM 0 HD11 ILE A 62 10.933 -5.507 -0.215 1.00 21.24 H new ATOM 0 HD12 ILE A 62 10.576 -4.517 -1.650 1.00 21.24 H new ATOM 0 HD13 ILE A 62 12.186 -5.250 -1.452 1.00 21.24 H new ATOM 997 N ARG A 63 13.462 -2.043 2.039 1.00 32.34 N ATOM 998 CA ARG A 63 14.314 -2.611 3.108 1.00 53.05 C ATOM 999 C ARG A 63 13.532 -3.729 3.826 1.00 65.20 C ATOM 1000 O ARG A 63 12.690 -3.430 4.678 1.00 63.24 O ATOM 1001 CB ARG A 63 14.726 -1.505 4.123 1.00 72.15 C ATOM 1002 CG ARG A 63 15.689 -1.971 5.241 1.00 74.21 C ATOM 1003 CD ARG A 63 15.877 -0.921 6.355 1.00 14.44 C ATOM 1004 NE ARG A 63 16.895 -1.338 7.342 1.00 15.12 N ATOM 1005 CZ ARG A 63 17.091 -0.792 8.524 1.00 52.15 C ATOM 1006 NH1 ARG A 63 16.366 0.193 8.945 1.00 3.24 N ATOM 1007 NH2 ARG A 63 18.038 -1.240 9.282 1.00 51.34 N ATOM 0 H ARG A 63 12.472 -2.008 2.281 1.00 32.34 H new ATOM 0 HA ARG A 63 15.223 -3.021 2.668 1.00 53.05 H new ATOM 0 HB2 ARG A 63 15.196 -0.688 3.576 1.00 72.15 H new ATOM 0 HB3 ARG A 63 13.824 -1.102 4.585 1.00 72.15 H new ATOM 0 HG2 ARG A 63 15.307 -2.893 5.680 1.00 74.21 H new ATOM 0 HG3 ARG A 63 16.659 -2.204 4.803 1.00 74.21 H new ATOM 0 HD2 ARG A 63 16.171 0.030 5.911 1.00 14.44 H new ATOM 0 HD3 ARG A 63 14.926 -0.756 6.862 1.00 14.44 H new ATOM 0 HE ARG A 63 17.500 -2.118 7.085 1.00 15.12 H new ATOM 0 HH11 ARG A 63 15.621 0.566 8.357 1.00 3.24 H new ATOM 0 HH12 ARG A 63 16.540 0.597 9.865 1.00 3.24 H new ATOM 0 HH21 ARG A 63 18.626 -2.010 8.963 1.00 51.34 H new ATOM 0 HH22 ARG A 63 18.197 -0.823 10.199 1.00 51.34 H new ATOM 1021 N ALA A 64 13.840 -4.997 3.462 1.00 32.43 N ATOM 1022 CA ALA A 64 13.186 -6.232 3.980 1.00 21.34 C ATOM 1023 C ALA A 64 11.627 -6.156 4.002 1.00 40.32 C ATOM 1024 O ALA A 64 10.953 -6.713 3.130 1.00 5.01 O ATOM 1025 CB ALA A 64 13.759 -6.612 5.358 1.00 50.44 C ATOM 0 H ALA A 64 14.571 -5.199 2.780 1.00 32.43 H new ATOM 0 HA ALA A 64 13.423 -7.027 3.273 1.00 21.34 H new ATOM 0 HB1 ALA A 64 13.269 -7.516 5.719 1.00 50.44 H new ATOM 0 HB2 ALA A 64 14.831 -6.791 5.270 1.00 50.44 H new ATOM 0 HB3 ALA A 64 13.584 -5.798 6.062 1.00 50.44 H new ATOM 1031 N TYR A 65 11.074 -5.456 5.009 1.00 22.51 N ATOM 1032 CA TYR A 65 9.613 -5.247 5.171 1.00 2.33 C ATOM 1033 C TYR A 65 9.310 -3.885 5.859 1.00 53.35 C ATOM 1034 O TYR A 65 8.155 -3.443 5.876 1.00 31.03 O ATOM 1035 CB TYR A 65 9.006 -6.405 6.005 1.00 3.01 C ATOM 1036 CG TYR A 65 9.384 -6.376 7.498 1.00 54.55 C ATOM 1037 CD1 TYR A 65 10.680 -6.676 7.925 1.00 23.51 C ATOM 1038 CD2 TYR A 65 8.447 -6.022 8.474 1.00 23.31 C ATOM 1039 CE1 TYR A 65 11.023 -6.632 9.263 1.00 3.45 C ATOM 1040 CE2 TYR A 65 8.781 -5.973 9.808 1.00 12.41 C ATOM 1041 CZ TYR A 65 10.073 -6.280 10.201 1.00 40.43 C ATOM 1042 OH TYR A 65 10.421 -6.236 11.536 1.00 52.44 O ATOM 0 H TYR A 65 11.628 -5.014 5.742 1.00 22.51 H new ATOM 0 HA TYR A 65 9.160 -5.233 4.180 1.00 2.33 H new ATOM 0 HB2 TYR A 65 7.920 -6.371 5.916 1.00 3.01 H new ATOM 0 HB3 TYR A 65 9.331 -7.354 5.578 1.00 3.01 H new ATOM 0 HD1 TYR A 65 11.428 -6.948 7.195 1.00 23.51 H new ATOM 0 HD2 TYR A 65 7.438 -5.782 8.174 1.00 23.31 H new ATOM 0 HE1 TYR A 65 12.029 -6.872 9.573 1.00 3.45 H new ATOM 0 HE2 TYR A 65 8.040 -5.697 10.544 1.00 12.41 H new ATOM 0 HH TYR A 65 9.642 -5.971 12.068 1.00 52.44 H new ATOM 1052 N SER A 66 10.359 -3.237 6.439 1.00 20.23 N ATOM 1053 CA SER A 66 10.217 -1.967 7.207 1.00 65.01 C ATOM 1054 C SER A 66 9.662 -0.834 6.324 1.00 15.03 C ATOM 1055 O SER A 66 9.033 0.097 6.830 1.00 13.34 O ATOM 1056 CB SER A 66 11.573 -1.534 7.820 1.00 42.33 C ATOM 1057 OG SER A 66 11.470 -0.306 8.543 1.00 11.03 O ATOM 0 H SER A 66 11.319 -3.577 6.388 1.00 20.23 H new ATOM 0 HA SER A 66 9.508 -2.157 8.013 1.00 65.01 H new ATOM 0 HB2 SER A 66 11.935 -2.317 8.486 1.00 42.33 H new ATOM 0 HB3 SER A 66 12.311 -1.425 7.025 1.00 42.33 H new ATOM 0 HG SER A 66 12.346 -0.070 8.914 1.00 11.03 H new ATOM 1063 N PHE A 67 9.968 -0.911 5.016 1.00 32.20 N ATOM 1064 CA PHE A 67 9.305 -0.102 3.973 1.00 44.14 C ATOM 1065 C PHE A 67 9.486 -0.722 2.570 1.00 72.43 C ATOM 1066 O PHE A 67 10.452 -1.449 2.305 1.00 25.02 O ATOM 1067 CB PHE A 67 9.802 1.376 3.981 1.00 34.32 C ATOM 1068 CG PHE A 67 11.313 1.561 3.797 1.00 13.44 C ATOM 1069 CD1 PHE A 67 11.882 1.642 2.524 1.00 10.44 C ATOM 1070 CD2 PHE A 67 12.160 1.669 4.899 1.00 40.05 C ATOM 1071 CE1 PHE A 67 13.239 1.828 2.360 1.00 63.42 C ATOM 1072 CE2 PHE A 67 13.519 1.852 4.731 1.00 70.02 C ATOM 1073 CZ PHE A 67 14.057 1.934 3.461 1.00 2.30 C ATOM 0 H PHE A 67 10.684 -1.538 4.650 1.00 32.20 H new ATOM 0 HA PHE A 67 8.241 -0.100 4.210 1.00 44.14 H new ATOM 0 HB2 PHE A 67 9.287 1.919 3.189 1.00 34.32 H new ATOM 0 HB3 PHE A 67 9.509 1.835 4.925 1.00 34.32 H new ATOM 0 HD1 PHE A 67 11.249 1.558 1.653 1.00 10.44 H new ATOM 0 HD2 PHE A 67 11.749 1.609 5.896 1.00 40.05 H new ATOM 0 HE1 PHE A 67 13.659 1.890 1.367 1.00 63.42 H new ATOM 0 HE2 PHE A 67 14.163 1.931 5.595 1.00 70.02 H new ATOM 0 HZ PHE A 67 15.119 2.081 3.333 1.00 2.30 H new ATOM 1083 N ILE A 68 8.536 -0.398 1.690 1.00 40.52 N ATOM 1084 CA ILE A 68 8.595 -0.690 0.247 1.00 62.24 C ATOM 1085 C ILE A 68 7.797 0.405 -0.495 1.00 11.25 C ATOM 1086 O ILE A 68 6.738 0.821 -0.028 1.00 34.15 O ATOM 1087 CB ILE A 68 8.054 -2.137 -0.104 1.00 24.12 C ATOM 1088 CG1 ILE A 68 8.244 -2.460 -1.624 1.00 43.53 C ATOM 1089 CG2 ILE A 68 6.578 -2.333 0.333 1.00 64.54 C ATOM 1090 CD1 ILE A 68 7.790 -3.849 -2.035 1.00 13.24 C ATOM 0 H ILE A 68 7.681 0.087 1.963 1.00 40.52 H new ATOM 0 HA ILE A 68 9.636 -0.683 -0.075 1.00 62.24 H new ATOM 0 HB ILE A 68 8.651 -2.847 0.468 1.00 24.12 H new ATOM 0 HG12 ILE A 68 7.694 -1.724 -2.210 1.00 43.53 H new ATOM 0 HG13 ILE A 68 9.298 -2.346 -1.877 1.00 43.53 H new ATOM 0 HG21 ILE A 68 6.252 -3.340 0.071 1.00 64.54 H new ATOM 0 HG22 ILE A 68 6.496 -2.194 1.411 1.00 64.54 H new ATOM 0 HG23 ILE A 68 5.948 -1.604 -0.176 1.00 64.54 H new ATOM 0 HD11 ILE A 68 7.959 -3.986 -3.103 1.00 13.24 H new ATOM 0 HD12 ILE A 68 8.357 -4.596 -1.480 1.00 13.24 H new ATOM 0 HD13 ILE A 68 6.728 -3.964 -1.818 1.00 13.24 H new ATOM 1102 N ARG A 69 8.320 0.908 -1.623 1.00 73.41 N ATOM 1103 CA ARG A 69 7.672 2.017 -2.359 1.00 12.34 C ATOM 1104 C ARG A 69 7.982 1.970 -3.865 1.00 42.02 C ATOM 1105 O ARG A 69 9.084 1.590 -4.277 1.00 34.02 O ATOM 1106 CB ARG A 69 8.064 3.409 -1.765 1.00 45.33 C ATOM 1107 CG ARG A 69 9.586 3.712 -1.686 1.00 21.43 C ATOM 1108 CD ARG A 69 10.255 3.235 -0.382 1.00 60.14 C ATOM 1109 NE ARG A 69 9.922 4.079 0.784 1.00 13.43 N ATOM 1110 CZ ARG A 69 10.803 4.742 1.518 1.00 51.41 C ATOM 1111 NH1 ARG A 69 12.052 4.822 1.177 1.00 73.12 N ATOM 1112 NH2 ARG A 69 10.415 5.351 2.584 1.00 31.50 N ATOM 0 H ARG A 69 9.184 0.571 -2.048 1.00 73.41 H new ATOM 0 HA ARG A 69 6.597 1.883 -2.236 1.00 12.34 H new ATOM 0 HB2 ARG A 69 7.590 4.185 -2.366 1.00 45.33 H new ATOM 0 HB3 ARG A 69 7.646 3.484 -0.761 1.00 45.33 H new ATOM 0 HG2 ARG A 69 10.084 3.238 -2.532 1.00 21.43 H new ATOM 0 HG3 ARG A 69 9.738 4.787 -1.788 1.00 21.43 H new ATOM 0 HD2 ARG A 69 9.950 2.209 -0.179 1.00 60.14 H new ATOM 0 HD3 ARG A 69 11.336 3.225 -0.518 1.00 60.14 H new ATOM 0 HE ARG A 69 8.939 4.157 1.044 1.00 13.43 H new ATOM 0 HH11 ARG A 69 12.378 4.367 0.324 1.00 73.12 H new ATOM 0 HH12 ARG A 69 12.708 5.340 1.762 1.00 73.12 H new ATOM 0 HH21 ARG A 69 9.433 5.321 2.860 1.00 31.50 H new ATOM 0 HH22 ARG A 69 11.089 5.863 3.153 1.00 31.50 H new ATOM 1126 N PHE A 70 6.979 2.357 -4.672 1.00 21.12 N ATOM 1127 CA PHE A 70 7.063 2.383 -6.148 1.00 71.14 C ATOM 1128 C PHE A 70 6.657 3.778 -6.678 1.00 12.45 C ATOM 1129 O PHE A 70 6.133 4.622 -5.935 1.00 23.32 O ATOM 1130 CB PHE A 70 6.117 1.321 -6.785 1.00 72.15 C ATOM 1131 CG PHE A 70 6.266 -0.112 -6.273 1.00 53.13 C ATOM 1132 CD1 PHE A 70 5.758 -0.482 -5.027 1.00 55.32 C ATOM 1133 CD2 PHE A 70 6.899 -1.092 -7.037 1.00 73.00 C ATOM 1134 CE1 PHE A 70 5.883 -1.771 -4.567 1.00 3.44 C ATOM 1135 CE2 PHE A 70 7.017 -2.387 -6.570 1.00 30.14 C ATOM 1136 CZ PHE A 70 6.513 -2.723 -5.335 1.00 61.40 C ATOM 0 H PHE A 70 6.074 2.665 -4.316 1.00 21.12 H new ATOM 0 HA PHE A 70 8.093 2.157 -6.422 1.00 71.14 H new ATOM 0 HB2 PHE A 70 5.087 1.638 -6.621 1.00 72.15 H new ATOM 0 HB3 PHE A 70 6.282 1.318 -7.862 1.00 72.15 H new ATOM 0 HD1 PHE A 70 5.259 0.255 -4.415 1.00 55.32 H new ATOM 0 HD2 PHE A 70 7.302 -0.836 -8.006 1.00 73.00 H new ATOM 0 HE1 PHE A 70 5.485 -2.038 -3.599 1.00 3.44 H new ATOM 0 HE2 PHE A 70 7.505 -3.136 -7.175 1.00 30.14 H new ATOM 0 HZ PHE A 70 6.612 -3.734 -4.968 1.00 61.40 H new ATOM 1146 N HIS A 71 6.888 3.991 -7.975 1.00 45.30 N ATOM 1147 CA HIS A 71 6.425 5.185 -8.698 1.00 40.23 C ATOM 1148 C HIS A 71 6.121 4.814 -10.166 1.00 0.13 C ATOM 1149 O HIS A 71 6.912 4.114 -10.808 1.00 22.32 O ATOM 1150 CB HIS A 71 7.481 6.314 -8.622 1.00 12.03 C ATOM 1151 CG HIS A 71 7.084 7.549 -9.385 1.00 64.42 C ATOM 1152 ND1 HIS A 71 7.508 7.800 -10.666 1.00 11.42 N ATOM 1153 CD2 HIS A 71 6.234 8.550 -9.073 1.00 73.20 C ATOM 1154 CE1 HIS A 71 6.942 8.894 -11.107 1.00 13.55 C ATOM 1155 NE2 HIS A 71 6.156 9.376 -10.167 1.00 55.22 N ATOM 0 H HIS A 71 7.406 3.336 -8.561 1.00 45.30 H new ATOM 0 HA HIS A 71 5.512 5.553 -8.230 1.00 40.23 H new ATOM 0 HB2 HIS A 71 7.647 6.578 -7.577 1.00 12.03 H new ATOM 0 HB3 HIS A 71 8.429 5.943 -9.012 1.00 12.03 H new ATOM 0 HD2 HIS A 71 5.712 8.678 -8.136 1.00 73.20 H new ATOM 0 HE1 HIS A 71 7.095 9.331 -12.083 1.00 13.55 H new ATOM 0 HE2 HIS A 71 5.586 10.219 -10.239 1.00 55.22 H new ATOM 1164 N TRP A 72 4.995 5.320 -10.695 1.00 45.44 N ATOM 1165 CA TRP A 72 4.518 4.976 -12.052 1.00 31.31 C ATOM 1166 C TRP A 72 5.331 5.747 -13.121 1.00 62.11 C ATOM 1167 O TRP A 72 5.223 6.973 -13.234 1.00 43.42 O ATOM 1168 CB TRP A 72 2.999 5.279 -12.187 1.00 42.42 C ATOM 1169 CG TRP A 72 2.140 4.647 -11.101 1.00 14.20 C ATOM 1170 CD1 TRP A 72 1.974 5.096 -9.819 1.00 72.41 C ATOM 1171 CD2 TRP A 72 1.331 3.465 -11.204 1.00 20.55 C ATOM 1172 NE1 TRP A 72 1.114 4.287 -9.137 1.00 51.32 N ATOM 1173 CE2 TRP A 72 0.709 3.273 -9.957 1.00 2.25 C ATOM 1174 CE3 TRP A 72 1.072 2.554 -12.225 1.00 73.20 C ATOM 1175 CZ2 TRP A 72 -0.153 2.210 -9.703 1.00 33.23 C ATOM 1176 CZ3 TRP A 72 0.213 1.499 -11.975 1.00 24.34 C ATOM 1177 CH2 TRP A 72 -0.389 1.332 -10.722 1.00 74.40 C ATOM 0 H TRP A 72 4.390 5.976 -10.200 1.00 45.44 H new ATOM 0 HA TRP A 72 4.667 3.908 -12.214 1.00 31.31 H new ATOM 0 HB2 TRP A 72 2.852 6.359 -12.169 1.00 42.42 H new ATOM 0 HB3 TRP A 72 2.654 4.926 -13.159 1.00 42.42 H new ATOM 0 HD1 TRP A 72 2.457 5.969 -9.405 1.00 72.41 H new ATOM 0 HE1 TRP A 72 0.820 4.418 -8.169 1.00 51.32 H new ATOM 0 HE3 TRP A 72 1.534 2.669 -13.195 1.00 73.20 H new ATOM 0 HZ2 TRP A 72 -0.618 2.084 -8.736 1.00 33.23 H new ATOM 0 HZ3 TRP A 72 0.002 0.790 -12.762 1.00 24.34 H new ATOM 0 HH2 TRP A 72 -1.051 0.495 -10.559 1.00 74.40 H new ATOM 1188 N LEU A 73 6.167 5.004 -13.877 1.00 20.14 N ATOM 1189 CA LEU A 73 6.970 5.550 -15.003 1.00 52.11 C ATOM 1190 C LEU A 73 6.062 6.082 -16.146 1.00 44.32 C ATOM 1191 O LEU A 73 6.478 6.930 -16.946 1.00 13.52 O ATOM 1192 CB LEU A 73 7.908 4.443 -15.570 1.00 33.44 C ATOM 1193 CG LEU A 73 8.908 3.789 -14.561 1.00 1.41 C ATOM 1194 CD1 LEU A 73 9.679 2.618 -15.212 1.00 74.11 C ATOM 1195 CD2 LEU A 73 9.883 4.835 -13.980 1.00 61.05 C ATOM 0 H LEU A 73 6.308 4.005 -13.727 1.00 20.14 H new ATOM 0 HA LEU A 73 7.560 6.381 -14.616 1.00 52.11 H new ATOM 0 HB2 LEU A 73 7.287 3.654 -15.994 1.00 33.44 H new ATOM 0 HB3 LEU A 73 8.483 4.871 -16.391 1.00 33.44 H new ATOM 0 HG LEU A 73 8.321 3.385 -13.736 1.00 1.41 H new ATOM 0 HD11 LEU A 73 10.366 2.185 -14.484 1.00 74.11 H new ATOM 0 HD12 LEU A 73 8.973 1.856 -15.542 1.00 74.11 H new ATOM 0 HD13 LEU A 73 10.243 2.986 -16.069 1.00 74.11 H new ATOM 0 HD21 LEU A 73 10.565 4.349 -13.282 1.00 61.05 H new ATOM 0 HD22 LEU A 73 10.455 5.289 -14.790 1.00 61.05 H new ATOM 0 HD23 LEU A 73 9.319 5.607 -13.457 1.00 61.05 H new ATOM 1311 N TYR A 81 3.580 8.854 -6.074 1.00 70.41 N ATOM 1312 CA TYR A 81 4.439 8.045 -5.194 1.00 11.34 C ATOM 1313 C TYR A 81 3.578 7.337 -4.126 1.00 1.22 C ATOM 1314 O TYR A 81 3.008 7.994 -3.248 1.00 41.20 O ATOM 1315 CB TYR A 81 5.513 8.976 -4.550 1.00 21.42 C ATOM 1316 CG TYR A 81 6.360 8.346 -3.427 1.00 63.41 C ATOM 1317 CD1 TYR A 81 7.378 7.437 -3.714 1.00 63.15 C ATOM 1318 CD2 TYR A 81 6.145 8.672 -2.075 1.00 73.22 C ATOM 1319 CE1 TYR A 81 8.145 6.884 -2.711 1.00 73.30 C ATOM 1320 CE2 TYR A 81 6.912 8.115 -1.073 1.00 72.21 C ATOM 1321 CZ TYR A 81 7.907 7.223 -1.394 1.00 22.30 C ATOM 1322 OH TYR A 81 8.672 6.668 -0.393 1.00 14.42 O ATOM 0 HA TYR A 81 4.950 7.270 -5.765 1.00 11.34 H new ATOM 0 HB2 TYR A 81 6.185 9.322 -5.336 1.00 21.42 H new ATOM 0 HB3 TYR A 81 5.010 9.857 -4.150 1.00 21.42 H new ATOM 0 HD1 TYR A 81 7.569 7.161 -4.741 1.00 63.15 H new ATOM 0 HD2 TYR A 81 5.364 9.372 -1.817 1.00 73.22 H new ATOM 0 HE1 TYR A 81 8.932 6.186 -2.955 1.00 73.30 H new ATOM 0 HE2 TYR A 81 6.732 8.379 -0.041 1.00 72.21 H new ATOM 0 HH TYR A 81 8.107 6.481 0.385 1.00 14.42 H new ATOM 1332 N PHE A 82 3.470 5.995 -4.220 1.00 13.44 N ATOM 1333 CA PHE A 82 2.730 5.181 -3.228 1.00 23.10 C ATOM 1334 C PHE A 82 3.703 4.249 -2.458 1.00 52.34 C ATOM 1335 O PHE A 82 4.411 3.417 -3.047 1.00 73.21 O ATOM 1336 CB PHE A 82 1.539 4.400 -3.877 1.00 71.11 C ATOM 1337 CG PHE A 82 1.899 3.282 -4.862 1.00 24.51 C ATOM 1338 CD1 PHE A 82 2.426 3.572 -6.120 1.00 55.51 C ATOM 1339 CD2 PHE A 82 1.692 1.938 -4.530 1.00 44.34 C ATOM 1340 CE1 PHE A 82 2.732 2.559 -7.010 1.00 43.04 C ATOM 1341 CE2 PHE A 82 1.998 0.927 -5.425 1.00 54.34 C ATOM 1342 CZ PHE A 82 2.517 1.239 -6.663 1.00 31.13 C ATOM 0 H PHE A 82 3.887 5.449 -4.974 1.00 13.44 H new ATOM 0 HA PHE A 82 2.279 5.859 -2.503 1.00 23.10 H new ATOM 0 HB2 PHE A 82 0.940 3.967 -3.076 1.00 71.11 H new ATOM 0 HB3 PHE A 82 0.905 5.118 -4.396 1.00 71.11 H new ATOM 0 HD1 PHE A 82 2.597 4.600 -6.403 1.00 55.51 H new ATOM 0 HD2 PHE A 82 1.287 1.686 -3.561 1.00 44.34 H new ATOM 0 HE1 PHE A 82 3.141 2.800 -7.980 1.00 43.04 H new ATOM 0 HE2 PHE A 82 1.830 -0.105 -5.153 1.00 54.34 H new ATOM 0 HZ PHE A 82 2.756 0.451 -7.362 1.00 31.13 H new ATOM 1352 N GLU A 83 3.763 4.457 -1.139 1.00 40.51 N ATOM 1353 CA GLU A 83 4.597 3.681 -0.205 1.00 21.03 C ATOM 1354 C GLU A 83 3.709 2.830 0.711 1.00 0.03 C ATOM 1355 O GLU A 83 2.633 3.263 1.105 1.00 53.23 O ATOM 1356 CB GLU A 83 5.443 4.659 0.645 1.00 12.32 C ATOM 1357 CG GLU A 83 6.322 4.011 1.736 1.00 44.21 C ATOM 1358 CD GLU A 83 6.896 5.048 2.714 1.00 64.14 C ATOM 1359 OE1 GLU A 83 7.663 5.921 2.272 1.00 61.25 O ATOM 1360 OE2 GLU A 83 6.559 5.019 3.913 1.00 21.41 O ATOM 0 H GLU A 83 3.221 5.187 -0.676 1.00 40.51 H new ATOM 0 HA GLU A 83 5.254 3.018 -0.768 1.00 21.03 H new ATOM 0 HB2 GLU A 83 6.088 5.228 -0.024 1.00 12.32 H new ATOM 0 HB3 GLU A 83 4.770 5.372 1.122 1.00 12.32 H new ATOM 0 HG2 GLU A 83 5.731 3.281 2.289 1.00 44.21 H new ATOM 0 HG3 GLU A 83 7.141 3.467 1.265 1.00 44.21 H new ATOM 1367 N ILE A 84 4.151 1.602 1.005 1.00 34.44 N ATOM 1368 CA ILE A 84 3.519 0.724 2.006 1.00 71.24 C ATOM 1369 C ILE A 84 4.604 0.195 2.971 1.00 1.10 C ATOM 1370 O ILE A 84 5.658 -0.266 2.535 1.00 12.22 O ATOM 1371 CB ILE A 84 2.745 -0.505 1.373 1.00 44.35 C ATOM 1372 CG1 ILE A 84 1.705 -0.059 0.273 1.00 14.23 C ATOM 1373 CG2 ILE A 84 2.044 -1.314 2.498 1.00 73.24 C ATOM 1374 CD1 ILE A 84 2.273 0.207 -1.115 1.00 52.41 C ATOM 0 H ILE A 84 4.964 1.183 0.553 1.00 34.44 H new ATOM 0 HA ILE A 84 2.778 1.327 2.530 1.00 71.24 H new ATOM 0 HB ILE A 84 3.477 -1.137 0.871 1.00 44.35 H new ATOM 0 HG12 ILE A 84 0.941 -0.832 0.189 1.00 14.23 H new ATOM 0 HG13 ILE A 84 1.206 0.846 0.619 1.00 14.23 H new ATOM 0 HG21 ILE A 84 1.512 -2.159 2.061 1.00 73.24 H new ATOM 0 HG22 ILE A 84 2.791 -1.680 3.202 1.00 73.24 H new ATOM 0 HG23 ILE A 84 1.336 -0.671 3.022 1.00 73.24 H new ATOM 0 HD11 ILE A 84 1.468 0.506 -1.786 1.00 52.41 H new ATOM 0 HD12 ILE A 84 3.014 1.005 -1.058 1.00 52.41 H new ATOM 0 HD13 ILE A 84 2.745 -0.699 -1.495 1.00 52.41 H new ATOM 1386 N LYS A 85 4.362 0.308 4.281 1.00 64.13 N ATOM 1387 CA LYS A 85 5.257 -0.254 5.315 1.00 0.43 C ATOM 1388 C LYS A 85 4.451 -0.898 6.463 1.00 22.13 C ATOM 1389 O LYS A 85 3.271 -0.594 6.648 1.00 23.14 O ATOM 1390 CB LYS A 85 6.174 0.876 5.851 1.00 11.35 C ATOM 1391 CG LYS A 85 5.436 2.116 6.401 1.00 40.52 C ATOM 1392 CD LYS A 85 6.392 3.253 6.834 1.00 72.52 C ATOM 1393 CE LYS A 85 7.298 2.858 8.013 1.00 42.41 C ATOM 1394 NZ LYS A 85 6.515 2.600 9.248 1.00 30.53 N ATOM 0 H LYS A 85 3.546 0.788 4.660 1.00 64.13 H new ATOM 0 HA LYS A 85 5.867 -1.041 4.871 1.00 0.43 H new ATOM 0 HB2 LYS A 85 6.803 0.467 6.642 1.00 11.35 H new ATOM 0 HB3 LYS A 85 6.838 1.195 5.048 1.00 11.35 H new ATOM 0 HG2 LYS A 85 4.755 2.494 5.638 1.00 40.52 H new ATOM 0 HG3 LYS A 85 4.826 1.819 7.254 1.00 40.52 H new ATOM 0 HD2 LYS A 85 7.013 3.541 5.986 1.00 72.52 H new ATOM 0 HD3 LYS A 85 5.805 4.129 7.111 1.00 72.52 H new ATOM 0 HE2 LYS A 85 7.868 1.966 7.751 1.00 42.41 H new ATOM 0 HE3 LYS A 85 8.019 3.654 8.200 1.00 42.41 H new ATOM 0 HZ1 LYS A 85 7.137 2.192 9.974 1.00 30.53 H new ATOM 0 HZ2 LYS A 85 6.114 3.494 9.598 1.00 30.53 H new ATOM 0 HZ3 LYS A 85 5.745 1.934 9.038 1.00 30.53 H new ATOM 1408 N MET A 86 5.101 -1.792 7.233 1.00 30.24 N ATOM 1409 CA MET A 86 4.511 -2.394 8.447 1.00 63.01 C ATOM 1410 C MET A 86 5.560 -2.469 9.569 1.00 41.12 C ATOM 1411 O MET A 86 6.773 -2.466 9.313 1.00 45.03 O ATOM 1412 CB MET A 86 3.928 -3.812 8.175 1.00 62.14 C ATOM 1413 CG MET A 86 4.943 -4.858 7.668 1.00 62.12 C ATOM 1414 SD MET A 86 5.266 -4.747 5.897 1.00 52.41 S ATOM 1415 CE MET A 86 3.679 -5.252 5.235 1.00 32.22 C ATOM 0 H MET A 86 6.047 -2.117 7.033 1.00 30.24 H new ATOM 0 HA MET A 86 3.688 -1.751 8.757 1.00 63.01 H new ATOM 0 HB2 MET A 86 3.477 -4.184 9.095 1.00 62.14 H new ATOM 0 HB3 MET A 86 3.127 -3.722 7.441 1.00 62.14 H new ATOM 0 HG2 MET A 86 5.881 -4.734 8.209 1.00 62.12 H new ATOM 0 HG3 MET A 86 4.571 -5.856 7.900 1.00 62.12 H new ATOM 0 HE1 MET A 86 3.824 -6.064 4.523 1.00 32.22 H new ATOM 0 HE2 MET A 86 3.037 -5.592 6.048 1.00 32.22 H new ATOM 0 HE3 MET A 86 3.209 -4.407 4.731 1.00 32.22 H new ATOM 1425 N SER A 87 5.076 -2.537 10.810 1.00 60.34 N ATOM 1426 CA SER A 87 5.935 -2.713 12.000 1.00 15.11 C ATOM 1427 C SER A 87 5.206 -3.537 13.069 1.00 53.12 C ATOM 1428 O SER A 87 3.986 -3.410 13.239 1.00 50.42 O ATOM 1429 CB SER A 87 6.363 -1.355 12.590 1.00 62.44 C ATOM 1430 OG SER A 87 7.195 -1.533 13.724 1.00 4.54 O ATOM 0 H SER A 87 4.081 -2.473 11.027 1.00 60.34 H new ATOM 0 HA SER A 87 6.832 -3.246 11.684 1.00 15.11 H new ATOM 0 HB2 SER A 87 6.893 -0.776 11.833 1.00 62.44 H new ATOM 0 HB3 SER A 87 5.479 -0.781 12.869 1.00 62.44 H new ATOM 0 HG SER A 87 7.455 -0.658 14.080 1.00 4.54 H new ATOM 1436 N TYR A 88 5.967 -4.357 13.805 1.00 73.50 N ATOM 1437 CA TYR A 88 5.414 -5.294 14.792 1.00 33.34 C ATOM 1438 C TYR A 88 5.184 -4.594 16.140 1.00 70.23 C ATOM 1439 O TYR A 88 6.141 -4.205 16.817 1.00 53.12 O ATOM 1440 CB TYR A 88 6.355 -6.516 14.954 1.00 14.15 C ATOM 1441 CG TYR A 88 5.798 -7.613 15.876 1.00 35.21 C ATOM 1442 CD1 TYR A 88 4.716 -8.394 15.473 1.00 54.22 C ATOM 1443 CD2 TYR A 88 6.338 -7.856 17.145 1.00 52.52 C ATOM 1444 CE1 TYR A 88 4.196 -9.369 16.298 1.00 42.04 C ATOM 1445 CE2 TYR A 88 5.819 -8.837 17.970 1.00 32.10 C ATOM 1446 CZ TYR A 88 4.749 -9.589 17.546 1.00 24.13 C ATOM 1447 OH TYR A 88 4.226 -10.566 18.367 1.00 52.51 O ATOM 0 H TYR A 88 6.984 -4.390 13.733 1.00 73.50 H new ATOM 0 HA TYR A 88 4.448 -5.648 14.433 1.00 33.34 H new ATOM 0 HB2 TYR A 88 6.549 -6.945 13.971 1.00 14.15 H new ATOM 0 HB3 TYR A 88 7.312 -6.175 15.348 1.00 14.15 H new ATOM 0 HD1 TYR A 88 4.278 -8.233 14.499 1.00 54.22 H new ATOM 0 HD2 TYR A 88 7.176 -7.266 17.486 1.00 52.52 H new ATOM 0 HE1 TYR A 88 3.355 -9.962 15.969 1.00 42.04 H new ATOM 0 HE2 TYR A 88 6.253 -9.012 18.944 1.00 32.10 H new ATOM 0 HH TYR A 88 4.730 -10.592 19.207 1.00 52.51 H new ATOM 1457 N ASN A 89 3.904 -4.424 16.514 1.00 13.33 N ATOM 1458 CA ASN A 89 3.538 -3.913 17.839 1.00 44.10 C ATOM 1459 C ASN A 89 3.855 -4.978 18.906 1.00 42.30 C ATOM 1460 O ASN A 89 3.083 -5.914 19.117 1.00 31.21 O ATOM 1461 CB ASN A 89 2.043 -3.513 17.897 1.00 24.21 C ATOM 1462 CG ASN A 89 1.673 -2.409 16.910 1.00 64.23 C ATOM 1463 OD1 ASN A 89 1.220 -2.784 15.736 1.00 32.42 O flip ATOM 1464 ND2 ASN A 89 1.785 -1.231 17.208 1.00 33.55 N flip ATOM 0 H ASN A 89 3.107 -4.635 15.913 1.00 13.33 H new ATOM 0 HA ASN A 89 4.124 -3.016 18.038 1.00 44.10 H new ATOM 0 HB2 ASN A 89 1.431 -4.392 17.694 1.00 24.21 H new ATOM 0 HB3 ASN A 89 1.802 -3.183 18.907 1.00 24.21 H new ATOM 0 HD21 ASN A 89 2.140 -0.969 18.128 1.00 33.55 H new ATOM 0 HD22 ASN A 89 1.524 -0.508 16.537 1.00 33.55 H new ATOM 1471 N GLU A 90 5.015 -4.831 19.567 1.00 30.01 N ATOM 1472 CA GLU A 90 5.468 -5.742 20.648 1.00 63.35 C ATOM 1473 C GLU A 90 4.604 -5.583 21.938 1.00 23.34 C ATOM 1474 O GLU A 90 4.786 -6.315 22.918 1.00 42.04 O ATOM 1475 CB GLU A 90 6.969 -5.462 20.946 1.00 24.44 C ATOM 1476 CG GLU A 90 7.887 -5.534 19.703 1.00 65.23 C ATOM 1477 CD GLU A 90 9.341 -5.111 19.989 1.00 31.52 C ATOM 1478 OE1 GLU A 90 9.565 -3.923 20.308 1.00 41.42 O ATOM 1479 OE2 GLU A 90 10.264 -5.953 19.896 1.00 22.04 O ATOM 0 H GLU A 90 5.672 -4.076 19.371 1.00 30.01 H new ATOM 0 HA GLU A 90 5.346 -6.772 20.314 1.00 63.35 H new ATOM 0 HB2 GLU A 90 7.060 -4.473 21.394 1.00 24.44 H new ATOM 0 HB3 GLU A 90 7.321 -6.181 21.686 1.00 24.44 H new ATOM 0 HG2 GLU A 90 7.883 -6.553 19.316 1.00 65.23 H new ATOM 0 HG3 GLU A 90 7.478 -4.894 18.921 1.00 65.23 H new ATOM 1486 N LEU A 91 3.667 -4.612 21.908 1.00 25.43 N ATOM 1487 CA LEU A 91 2.738 -4.304 23.011 1.00 21.31 C ATOM 1488 C LEU A 91 1.431 -5.144 22.940 1.00 71.51 C ATOM 1489 O LEU A 91 0.724 -5.279 23.950 1.00 70.44 O ATOM 1490 CB LEU A 91 2.400 -2.786 22.966 1.00 42.22 C ATOM 1491 CG LEU A 91 3.627 -1.812 22.920 1.00 3.05 C ATOM 1492 CD1 LEU A 91 3.182 -0.337 22.846 1.00 2.41 C ATOM 1493 CD2 LEU A 91 4.585 -2.053 24.111 1.00 34.31 C ATOM 0 H LEU A 91 3.534 -4.008 21.097 1.00 25.43 H new ATOM 0 HA LEU A 91 3.226 -4.563 23.950 1.00 21.31 H new ATOM 0 HB2 LEU A 91 1.779 -2.598 22.091 1.00 42.22 H new ATOM 0 HB3 LEU A 91 1.799 -2.541 23.842 1.00 42.22 H new ATOM 0 HG LEU A 91 4.178 -2.030 22.005 1.00 3.05 H new ATOM 0 HD11 LEU A 91 4.061 0.307 22.816 1.00 2.41 H new ATOM 0 HD12 LEU A 91 2.587 -0.181 21.946 1.00 2.41 H new ATOM 0 HD13 LEU A 91 2.583 -0.093 23.724 1.00 2.41 H new ATOM 0 HD21 LEU A 91 5.425 -1.361 24.048 1.00 34.31 H new ATOM 0 HD22 LEU A 91 4.050 -1.891 25.047 1.00 34.31 H new ATOM 0 HD23 LEU A 91 4.956 -3.077 24.078 1.00 34.31 H new ATOM 1505 N THR A 92 1.104 -5.706 21.751 1.00 61.11 N ATOM 1506 CA THR A 92 -0.170 -6.462 21.543 1.00 10.15 C ATOM 1507 C THR A 92 0.003 -7.724 20.646 1.00 33.23 C ATOM 1508 O THR A 92 -0.611 -8.766 20.910 1.00 32.13 O ATOM 1509 CB THR A 92 -1.300 -5.534 20.961 1.00 24.35 C ATOM 1510 OG1 THR A 92 -2.504 -6.287 20.732 1.00 22.01 O ATOM 1511 CG2 THR A 92 -0.876 -4.825 19.659 1.00 44.04 C ATOM 0 H THR A 92 1.696 -5.655 20.922 1.00 61.11 H new ATOM 0 HA THR A 92 -0.470 -6.811 22.531 1.00 10.15 H new ATOM 0 HB THR A 92 -1.484 -4.763 21.709 1.00 24.35 H new ATOM 0 HG1 THR A 92 -2.599 -6.469 19.774 1.00 22.01 H new ATOM 0 HG21 THR A 92 -1.694 -4.199 19.303 1.00 44.04 H new ATOM 0 HG22 THR A 92 -0.001 -4.204 19.851 1.00 44.04 H new ATOM 0 HG23 THR A 92 -0.633 -5.570 18.901 1.00 44.04 H new ATOM 1519 N GLY A 93 0.823 -7.621 19.584 1.00 13.13 N ATOM 1520 CA GLY A 93 1.076 -8.751 18.652 1.00 31.04 C ATOM 1521 C GLY A 93 0.663 -8.449 17.203 1.00 3.32 C ATOM 1522 O GLY A 93 1.015 -9.188 16.280 1.00 54.10 O ATOM 0 H GLY A 93 1.326 -6.767 19.344 1.00 13.13 H new ATOM 0 HA2 GLY A 93 2.137 -9.001 18.675 1.00 31.04 H new ATOM 0 HA3 GLY A 93 0.533 -9.629 19.001 1.00 31.04 H new ATOM 1526 N ASP A 94 -0.098 -7.367 17.007 1.00 70.51 N ATOM 1527 CA ASP A 94 -0.576 -6.943 15.670 1.00 34.14 C ATOM 1528 C ASP A 94 0.500 -6.140 14.892 1.00 4.11 C ATOM 1529 O ASP A 94 1.566 -5.818 15.419 1.00 14.15 O ATOM 1530 CB ASP A 94 -1.856 -6.084 15.832 1.00 43.50 C ATOM 1531 CG ASP A 94 -2.970 -6.810 16.601 1.00 35.23 C ATOM 1532 OD1 ASP A 94 -2.916 -6.857 17.848 1.00 5.41 O ATOM 1533 OD2 ASP A 94 -3.907 -7.335 15.971 1.00 63.45 O ATOM 0 H ASP A 94 -0.404 -6.756 17.764 1.00 70.51 H new ATOM 0 HA ASP A 94 -0.793 -7.841 15.092 1.00 34.14 H new ATOM 0 HB2 ASP A 94 -1.604 -5.160 16.353 1.00 43.50 H new ATOM 0 HB3 ASP A 94 -2.226 -5.803 14.846 1.00 43.50 H new ATOM 1538 N TYR A 95 0.189 -5.826 13.628 1.00 53.23 N ATOM 1539 CA TYR A 95 0.976 -4.908 12.777 1.00 11.22 C ATOM 1540 C TYR A 95 0.315 -3.514 12.705 1.00 1.31 C ATOM 1541 O TYR A 95 -0.912 -3.395 12.603 1.00 4.20 O ATOM 1542 CB TYR A 95 1.134 -5.483 11.327 1.00 51.23 C ATOM 1543 CG TYR A 95 2.398 -6.314 11.054 1.00 21.34 C ATOM 1544 CD1 TYR A 95 3.456 -6.391 11.961 1.00 32.21 C ATOM 1545 CD2 TYR A 95 2.540 -6.996 9.853 1.00 0.02 C ATOM 1546 CE1 TYR A 95 4.605 -7.110 11.673 1.00 73.14 C ATOM 1547 CE2 TYR A 95 3.673 -7.717 9.574 1.00 71.00 C ATOM 1548 CZ TYR A 95 4.705 -7.773 10.476 1.00 42.24 C ATOM 1549 OH TYR A 95 5.847 -8.485 10.158 1.00 61.11 O ATOM 0 H TYR A 95 -0.630 -6.207 13.154 1.00 53.23 H new ATOM 0 HA TYR A 95 1.962 -4.810 13.231 1.00 11.22 H new ATOM 0 HB2 TYR A 95 0.264 -6.103 11.109 1.00 51.23 H new ATOM 0 HB3 TYR A 95 1.115 -4.649 10.625 1.00 51.23 H new ATOM 0 HD1 TYR A 95 3.377 -5.879 12.909 1.00 32.21 H new ATOM 0 HD2 TYR A 95 1.743 -6.958 9.125 1.00 0.02 H new ATOM 0 HE1 TYR A 95 5.416 -7.148 12.385 1.00 73.14 H new ATOM 0 HE2 TYR A 95 3.753 -8.245 8.636 1.00 71.00 H new ATOM 0 HH TYR A 95 5.621 -9.432 10.045 1.00 61.11 H new ATOM 1559 N VAL A 96 1.156 -2.470 12.765 1.00 10.21 N ATOM 1560 CA VAL A 96 0.767 -1.106 12.376 1.00 34.12 C ATOM 1561 C VAL A 96 1.152 -0.901 10.887 1.00 32.55 C ATOM 1562 O VAL A 96 2.328 -0.953 10.508 1.00 13.30 O ATOM 1563 CB VAL A 96 1.389 0.000 13.319 1.00 23.02 C ATOM 1564 CG1 VAL A 96 2.928 -0.116 13.443 1.00 3.12 C ATOM 1565 CG2 VAL A 96 0.961 1.418 12.855 1.00 25.32 C ATOM 0 H VAL A 96 2.122 -2.547 13.084 1.00 10.21 H new ATOM 0 HA VAL A 96 -0.311 -0.992 12.493 1.00 34.12 H new ATOM 0 HB VAL A 96 0.991 -0.171 14.319 1.00 23.02 H new ATOM 0 HG11 VAL A 96 3.300 0.668 14.102 1.00 3.12 H new ATOM 0 HG12 VAL A 96 3.187 -1.091 13.856 1.00 3.12 H new ATOM 0 HG13 VAL A 96 3.382 -0.007 12.458 1.00 3.12 H new ATOM 0 HG21 VAL A 96 1.399 2.165 13.517 1.00 25.32 H new ATOM 0 HG22 VAL A 96 1.308 1.588 11.836 1.00 25.32 H new ATOM 0 HG23 VAL A 96 -0.126 1.498 12.886 1.00 25.32 H new ATOM 1575 N LEU A 97 0.127 -0.734 10.052 1.00 31.15 N ATOM 1576 CA LEU A 97 0.251 -0.712 8.582 1.00 31.15 C ATOM 1577 C LEU A 97 0.057 0.723 8.077 1.00 64.02 C ATOM 1578 O LEU A 97 -0.960 1.346 8.359 1.00 13.32 O ATOM 1579 CB LEU A 97 -0.818 -1.656 7.974 1.00 12.44 C ATOM 1580 CG LEU A 97 -0.652 -2.024 6.475 1.00 54.12 C ATOM 1581 CD1 LEU A 97 0.677 -2.772 6.226 1.00 44.41 C ATOM 1582 CD2 LEU A 97 -1.871 -2.833 5.975 1.00 13.32 C ATOM 0 H LEU A 97 -0.832 -0.607 10.376 1.00 31.15 H new ATOM 0 HA LEU A 97 1.241 -1.055 8.280 1.00 31.15 H new ATOM 0 HB2 LEU A 97 -0.825 -2.580 8.552 1.00 12.44 H new ATOM 0 HB3 LEU A 97 -1.795 -1.192 8.104 1.00 12.44 H new ATOM 0 HG LEU A 97 -0.610 -1.100 5.898 1.00 54.12 H new ATOM 0 HD11 LEU A 97 0.764 -3.016 5.167 1.00 44.41 H new ATOM 0 HD12 LEU A 97 1.513 -2.138 6.522 1.00 44.41 H new ATOM 0 HD13 LEU A 97 0.693 -3.691 6.813 1.00 44.41 H new ATOM 0 HD21 LEU A 97 -1.736 -3.081 4.922 1.00 13.32 H new ATOM 0 HD22 LEU A 97 -1.961 -3.751 6.556 1.00 13.32 H new ATOM 0 HD23 LEU A 97 -2.776 -2.238 6.094 1.00 13.32 H new ATOM 1594 N GLU A 98 1.023 1.239 7.317 1.00 32.52 N ATOM 1595 CA GLU A 98 1.078 2.672 6.946 1.00 75.11 C ATOM 1596 C GLU A 98 1.274 2.825 5.422 1.00 34.11 C ATOM 1597 O GLU A 98 2.359 2.558 4.893 1.00 41.33 O ATOM 1598 CB GLU A 98 2.240 3.353 7.731 1.00 73.20 C ATOM 1599 CG GLU A 98 2.109 3.283 9.281 1.00 33.23 C ATOM 1600 CD GLU A 98 3.465 3.385 10.004 1.00 10.01 C ATOM 1601 OE1 GLU A 98 4.017 4.503 10.119 1.00 50.12 O ATOM 1602 OE2 GLU A 98 3.998 2.335 10.441 1.00 61.42 O ATOM 0 H GLU A 98 1.792 0.686 6.937 1.00 32.52 H new ATOM 0 HA GLU A 98 0.138 3.158 7.208 1.00 75.11 H new ATOM 0 HB2 GLU A 98 3.180 2.886 7.438 1.00 73.20 H new ATOM 0 HB3 GLU A 98 2.297 4.400 7.432 1.00 73.20 H new ATOM 0 HG2 GLU A 98 1.460 4.089 9.622 1.00 33.23 H new ATOM 0 HG3 GLU A 98 1.625 2.346 9.557 1.00 33.23 H new ATOM 1609 N ILE A 99 0.201 3.236 4.717 1.00 1.03 N ATOM 1610 CA ILE A 99 0.226 3.469 3.260 1.00 31.01 C ATOM 1611 C ILE A 99 0.305 4.995 2.987 1.00 52.31 C ATOM 1612 O ILE A 99 -0.632 5.736 3.280 1.00 10.33 O ATOM 1613 CB ILE A 99 -1.042 2.826 2.531 1.00 41.45 C ATOM 1614 CG1 ILE A 99 -1.006 1.250 2.555 1.00 14.15 C ATOM 1615 CG2 ILE A 99 -1.172 3.318 1.060 1.00 10.23 C ATOM 1616 CD1 ILE A 99 -1.163 0.589 3.908 1.00 5.34 C ATOM 0 H ILE A 99 -0.708 3.416 5.143 1.00 1.03 H new ATOM 0 HA ILE A 99 1.108 2.978 2.848 1.00 31.01 H new ATOM 0 HB ILE A 99 -1.913 3.160 3.094 1.00 41.45 H new ATOM 0 HG12 ILE A 99 -1.797 0.881 1.902 1.00 14.15 H new ATOM 0 HG13 ILE A 99 -0.059 0.924 2.124 1.00 14.15 H new ATOM 0 HG21 ILE A 99 -2.046 2.858 0.599 1.00 10.23 H new ATOM 0 HG22 ILE A 99 -1.283 4.402 1.047 1.00 10.23 H new ATOM 0 HG23 ILE A 99 -0.278 3.038 0.502 1.00 10.23 H new ATOM 0 HD11 ILE A 99 -1.121 -0.494 3.791 1.00 5.34 H new ATOM 0 HD12 ILE A 99 -0.358 0.914 4.567 1.00 5.34 H new ATOM 0 HD13 ILE A 99 -2.123 0.870 4.341 1.00 5.34 H new ATOM 1628 N THR A 100 1.429 5.447 2.413 1.00 41.44 N ATOM 1629 CA THR A 100 1.654 6.858 2.051 1.00 2.13 C ATOM 1630 C THR A 100 1.179 7.107 0.604 1.00 52.11 C ATOM 1631 O THR A 100 1.709 6.514 -0.339 1.00 13.11 O ATOM 1632 CB THR A 100 3.172 7.232 2.182 1.00 12.32 C ATOM 1633 OG1 THR A 100 3.610 7.068 3.545 1.00 60.44 O ATOM 1634 CG2 THR A 100 3.473 8.671 1.716 1.00 52.23 C ATOM 0 H THR A 100 2.216 4.840 2.184 1.00 41.44 H new ATOM 0 HA THR A 100 1.083 7.485 2.736 1.00 2.13 H new ATOM 0 HB THR A 100 3.719 6.553 1.528 1.00 12.32 H new ATOM 0 HG1 THR A 100 4.559 7.303 3.614 1.00 60.44 H new ATOM 0 HG21 THR A 100 4.538 8.875 1.829 1.00 52.23 H new ATOM 0 HG22 THR A 100 3.192 8.781 0.669 1.00 52.23 H new ATOM 0 HG23 THR A 100 2.902 9.376 2.321 1.00 52.23 H new ATOM 1642 N ASP A 101 0.183 7.985 0.451 1.00 71.11 N ATOM 1643 CA ASP A 101 -0.415 8.337 -0.848 1.00 73.43 C ATOM 1644 C ASP A 101 -0.551 9.875 -0.957 1.00 15.23 C ATOM 1645 O ASP A 101 -0.424 10.588 0.035 1.00 73.44 O ATOM 1646 CB ASP A 101 -1.795 7.627 -0.983 1.00 74.25 C ATOM 1647 CG ASP A 101 -2.532 7.940 -2.298 1.00 50.51 C ATOM 1648 OD1 ASP A 101 -2.015 7.577 -3.377 1.00 33.52 O ATOM 1649 OD2 ASP A 101 -3.605 8.589 -2.261 1.00 2.05 O ATOM 0 H ASP A 101 -0.239 8.481 1.236 1.00 71.11 H new ATOM 0 HA ASP A 101 0.224 8.001 -1.664 1.00 73.43 H new ATOM 0 HB2 ASP A 101 -1.647 6.550 -0.909 1.00 74.25 H new ATOM 0 HB3 ASP A 101 -2.427 7.921 -0.145 1.00 74.25 H new ATOM 1654 N PHE A 102 -0.766 10.377 -2.177 1.00 60.54 N ATOM 1655 CA PHE A 102 -1.024 11.806 -2.438 1.00 22.53 C ATOM 1656 C PHE A 102 -2.491 11.989 -2.874 1.00 13.41 C ATOM 1657 O PHE A 102 -2.917 11.402 -3.871 1.00 64.05 O ATOM 1658 CB PHE A 102 -0.058 12.335 -3.534 1.00 13.45 C ATOM 1659 CG PHE A 102 1.400 12.427 -3.078 1.00 73.43 C ATOM 1660 CD1 PHE A 102 2.194 11.286 -2.972 1.00 23.45 C ATOM 1661 CD2 PHE A 102 1.969 13.656 -2.730 1.00 13.01 C ATOM 1662 CE1 PHE A 102 3.498 11.365 -2.531 1.00 32.50 C ATOM 1663 CE2 PHE A 102 3.276 13.730 -2.287 1.00 33.34 C ATOM 1664 CZ PHE A 102 4.040 12.587 -2.189 1.00 12.52 C ATOM 0 H PHE A 102 -0.767 9.803 -3.020 1.00 60.54 H new ATOM 0 HA PHE A 102 -0.850 12.378 -1.527 1.00 22.53 H new ATOM 0 HB2 PHE A 102 -0.117 11.681 -4.404 1.00 13.45 H new ATOM 0 HB3 PHE A 102 -0.392 13.322 -3.854 1.00 13.45 H new ATOM 0 HD1 PHE A 102 1.781 10.325 -3.240 1.00 23.45 H new ATOM 0 HD2 PHE A 102 1.380 14.558 -2.808 1.00 13.01 H new ATOM 0 HE1 PHE A 102 4.096 10.469 -2.453 1.00 32.50 H new ATOM 0 HE2 PHE A 102 3.700 14.686 -2.017 1.00 33.34 H new ATOM 0 HZ PHE A 102 5.062 12.648 -1.845 1.00 12.52 H new ATOM 1674 N SER A 103 -3.263 12.792 -2.116 1.00 12.51 N ATOM 1675 CA SER A 103 -4.682 13.096 -2.427 1.00 75.05 C ATOM 1676 C SER A 103 -5.005 14.588 -2.202 1.00 23.14 C ATOM 1677 O SER A 103 -4.545 15.197 -1.230 1.00 43.10 O ATOM 1678 CB SER A 103 -5.606 12.214 -1.568 1.00 34.32 C ATOM 1679 OG SER A 103 -5.458 10.847 -1.908 1.00 62.25 O ATOM 0 H SER A 103 -2.925 13.250 -1.270 1.00 12.51 H new ATOM 0 HA SER A 103 -4.851 12.878 -3.481 1.00 75.05 H new ATOM 0 HB2 SER A 103 -5.375 12.358 -0.513 1.00 34.32 H new ATOM 0 HB3 SER A 103 -6.643 12.519 -1.711 1.00 34.32 H new ATOM 0 HG SER A 103 -4.522 10.580 -1.791 1.00 62.25 H new ATOM 1685 N GLU A 104 -5.810 15.155 -3.122 1.00 4.42 N ATOM 1686 CA GLU A 104 -6.230 16.575 -3.095 1.00 30.13 C ATOM 1687 C GLU A 104 -7.166 16.881 -1.904 1.00 11.01 C ATOM 1688 O GLU A 104 -7.836 15.984 -1.398 1.00 12.44 O ATOM 1689 CB GLU A 104 -6.964 16.922 -4.411 1.00 21.41 C ATOM 1690 CG GLU A 104 -6.151 16.650 -5.681 1.00 63.10 C ATOM 1691 CD GLU A 104 -6.879 17.081 -6.951 1.00 54.45 C ATOM 1692 OE1 GLU A 104 -6.836 18.278 -7.276 1.00 63.13 O ATOM 1693 OE2 GLU A 104 -7.495 16.235 -7.624 1.00 12.43 O ATOM 0 H GLU A 104 -6.192 14.637 -3.913 1.00 4.42 H new ATOM 0 HA GLU A 104 -5.331 17.180 -2.984 1.00 30.13 H new ATOM 0 HB2 GLU A 104 -7.890 16.349 -4.458 1.00 21.41 H new ATOM 0 HB3 GLU A 104 -7.241 17.976 -4.391 1.00 21.41 H new ATOM 0 HG2 GLU A 104 -5.198 17.176 -5.617 1.00 63.10 H new ATOM 0 HG3 GLU A 104 -5.924 15.586 -5.741 1.00 63.10 H new ATOM 1700 N ALA A 105 -7.202 18.159 -1.471 1.00 24.42 N ATOM 1701 CA ALA A 105 -8.153 18.650 -0.432 1.00 35.45 C ATOM 1702 C ALA A 105 -9.634 18.287 -0.741 1.00 21.11 C ATOM 1703 O ALA A 105 -10.387 17.885 0.154 1.00 53.15 O ATOM 1704 CB ALA A 105 -8.009 20.171 -0.276 1.00 41.55 C ATOM 0 H ALA A 105 -6.578 18.883 -1.826 1.00 24.42 H new ATOM 0 HA ALA A 105 -7.894 18.147 0.500 1.00 35.45 H new ATOM 0 HB1 ALA A 105 -8.705 20.526 0.484 1.00 41.55 H new ATOM 0 HB2 ALA A 105 -6.989 20.411 0.025 1.00 41.55 H new ATOM 0 HB3 ALA A 105 -8.230 20.657 -1.226 1.00 41.55 H new ATOM 1710 N ASP A 106 -10.022 18.421 -2.023 1.00 33.32 N ATOM 1711 CA ASP A 106 -11.393 18.134 -2.502 1.00 33.05 C ATOM 1712 C ASP A 106 -11.783 16.634 -2.361 1.00 33.04 C ATOM 1713 O ASP A 106 -12.967 16.305 -2.214 1.00 73.41 O ATOM 1714 CB ASP A 106 -11.527 18.601 -3.971 1.00 51.44 C ATOM 1715 CG ASP A 106 -12.959 18.461 -4.521 1.00 22.51 C ATOM 1716 OD1 ASP A 106 -13.867 19.133 -3.995 1.00 61.12 O ATOM 1717 OD2 ASP A 106 -13.178 17.695 -5.482 1.00 20.43 O ATOM 0 H ASP A 106 -9.392 18.733 -2.762 1.00 33.32 H new ATOM 0 HA ASP A 106 -12.088 18.687 -1.870 1.00 33.05 H new ATOM 0 HB2 ASP A 106 -11.216 19.643 -4.045 1.00 51.44 H new ATOM 0 HB3 ASP A 106 -10.846 18.021 -4.594 1.00 51.44 H new ATOM 1722 N GLU A 107 -10.780 15.735 -2.391 1.00 12.22 N ATOM 1723 CA GLU A 107 -11.010 14.266 -2.343 1.00 53.52 C ATOM 1724 C GLU A 107 -10.461 13.639 -1.036 1.00 61.40 C ATOM 1725 O GLU A 107 -10.647 12.441 -0.799 1.00 54.14 O ATOM 1726 CB GLU A 107 -10.356 13.592 -3.576 1.00 21.34 C ATOM 1727 CG GLU A 107 -8.818 13.486 -3.514 1.00 73.34 C ATOM 1728 CD GLU A 107 -8.196 12.875 -4.776 1.00 4.25 C ATOM 1729 OE1 GLU A 107 -8.555 11.735 -5.139 1.00 61.14 O ATOM 1730 OE2 GLU A 107 -7.370 13.538 -5.426 1.00 62.33 O ATOM 0 H GLU A 107 -9.796 15.996 -2.449 1.00 12.22 H new ATOM 0 HA GLU A 107 -12.086 14.095 -2.361 1.00 53.52 H new ATOM 0 HB2 GLU A 107 -10.771 12.590 -3.688 1.00 21.34 H new ATOM 0 HB3 GLU A 107 -10.632 14.153 -4.469 1.00 21.34 H new ATOM 0 HG2 GLU A 107 -8.399 14.480 -3.357 1.00 73.34 H new ATOM 0 HG3 GLU A 107 -8.538 12.882 -2.651 1.00 73.34 H new ATOM 1737 N ALA A 108 -9.780 14.455 -0.198 1.00 55.52 N ATOM 1738 CA ALA A 108 -9.170 13.991 1.076 1.00 13.33 C ATOM 1739 C ALA A 108 -10.226 13.394 2.025 1.00 44.53 C ATOM 1740 O ALA A 108 -9.954 12.433 2.731 1.00 43.53 O ATOM 1741 CB ALA A 108 -8.422 15.146 1.764 1.00 44.03 C ATOM 0 H ALA A 108 -9.637 15.448 -0.382 1.00 55.52 H new ATOM 0 HA ALA A 108 -8.458 13.202 0.835 1.00 13.33 H new ATOM 0 HB1 ALA A 108 -7.981 14.790 2.695 1.00 44.03 H new ATOM 0 HB2 ALA A 108 -7.634 15.512 1.106 1.00 44.03 H new ATOM 0 HB3 ALA A 108 -9.120 15.955 1.979 1.00 44.03 H new ATOM 1747 N ASP A 109 -11.432 13.981 1.997 1.00 34.23 N ATOM 1748 CA ASP A 109 -12.618 13.497 2.740 1.00 13.03 C ATOM 1749 C ASP A 109 -12.964 12.024 2.393 1.00 34.11 C ATOM 1750 O ASP A 109 -13.324 11.228 3.273 1.00 45.42 O ATOM 1751 CB ASP A 109 -13.821 14.410 2.416 1.00 53.54 C ATOM 1752 CG ASP A 109 -13.557 15.885 2.771 1.00 52.22 C ATOM 1753 OD1 ASP A 109 -12.882 16.589 1.983 1.00 15.11 O ATOM 1754 OD2 ASP A 109 -13.995 16.340 3.850 1.00 23.43 O ATOM 0 H ASP A 109 -11.620 14.821 1.449 1.00 34.23 H new ATOM 0 HA ASP A 109 -12.389 13.532 3.805 1.00 13.03 H new ATOM 0 HB2 ASP A 109 -14.056 14.332 1.355 1.00 53.54 H new ATOM 0 HB3 ASP A 109 -14.696 14.059 2.963 1.00 53.54 H new ATOM 1759 N ASP A 110 -12.848 11.691 1.096 1.00 33.25 N ATOM 1760 CA ASP A 110 -13.094 10.333 0.569 1.00 74.32 C ATOM 1761 C ASP A 110 -11.999 9.347 1.053 1.00 74.43 C ATOM 1762 O ASP A 110 -12.295 8.231 1.468 1.00 41.03 O ATOM 1763 CB ASP A 110 -13.150 10.393 -0.979 1.00 23.03 C ATOM 1764 CG ASP A 110 -13.467 9.039 -1.628 1.00 21.42 C ATOM 1765 OD1 ASP A 110 -14.658 8.653 -1.649 1.00 73.22 O ATOM 1766 OD2 ASP A 110 -12.536 8.353 -2.108 1.00 33.10 O ATOM 0 H ASP A 110 -12.579 12.361 0.376 1.00 33.25 H new ATOM 0 HA ASP A 110 -14.049 9.965 0.945 1.00 74.32 H new ATOM 0 HB2 ASP A 110 -13.906 11.118 -1.280 1.00 23.03 H new ATOM 0 HB3 ASP A 110 -12.193 10.754 -1.357 1.00 23.03 H new ATOM 1771 N LEU A 111 -10.736 9.794 1.007 1.00 31.42 N ATOM 1772 CA LEU A 111 -9.564 8.981 1.426 1.00 24.34 C ATOM 1773 C LEU A 111 -9.508 8.732 2.949 1.00 12.30 C ATOM 1774 O LEU A 111 -8.989 7.705 3.399 1.00 45.34 O ATOM 1775 CB LEU A 111 -8.249 9.632 0.926 1.00 75.51 C ATOM 1776 CG LEU A 111 -7.814 9.259 -0.530 1.00 31.22 C ATOM 1777 CD1 LEU A 111 -7.620 7.736 -0.695 1.00 0.43 C ATOM 1778 CD2 LEU A 111 -8.795 9.822 -1.587 1.00 22.33 C ATOM 0 H LEU A 111 -10.488 10.728 0.680 1.00 31.42 H new ATOM 0 HA LEU A 111 -9.681 8.002 0.962 1.00 24.34 H new ATOM 0 HB2 LEU A 111 -8.356 10.715 0.987 1.00 75.51 H new ATOM 0 HB3 LEU A 111 -7.446 9.353 1.608 1.00 75.51 H new ATOM 0 HG LEU A 111 -6.847 9.732 -0.703 1.00 31.22 H new ATOM 0 HD11 LEU A 111 -7.318 7.516 -1.719 1.00 0.43 H new ATOM 0 HD12 LEU A 111 -6.848 7.391 -0.007 1.00 0.43 H new ATOM 0 HD13 LEU A 111 -8.557 7.224 -0.475 1.00 0.43 H new ATOM 0 HD21 LEU A 111 -8.456 9.540 -2.584 1.00 22.33 H new ATOM 0 HD22 LEU A 111 -9.791 9.414 -1.413 1.00 22.33 H new ATOM 0 HD23 LEU A 111 -8.830 10.909 -1.509 1.00 22.33 H new ATOM 1790 N LYS A 112 -9.996 9.698 3.734 1.00 31.31 N ATOM 1791 CA LYS A 112 -10.171 9.521 5.188 1.00 34.14 C ATOM 1792 C LYS A 112 -11.171 8.381 5.496 1.00 63.14 C ATOM 1793 O LYS A 112 -11.017 7.677 6.486 1.00 61.13 O ATOM 1794 CB LYS A 112 -10.617 10.841 5.864 1.00 32.40 C ATOM 1795 CG LYS A 112 -9.595 12.021 5.818 1.00 4.42 C ATOM 1796 CD LYS A 112 -8.286 11.792 6.635 1.00 64.03 C ATOM 1797 CE LYS A 112 -7.156 11.099 5.836 1.00 21.44 C ATOM 1798 NZ LYS A 112 -5.916 10.984 6.634 1.00 63.41 N ATOM 0 H LYS A 112 -10.279 10.615 3.390 1.00 31.31 H new ATOM 0 HA LYS A 112 -9.203 9.241 5.604 1.00 34.14 H new ATOM 0 HB2 LYS A 112 -11.543 11.171 5.392 1.00 32.40 H new ATOM 0 HB3 LYS A 112 -10.849 10.630 6.908 1.00 32.40 H new ATOM 0 HG2 LYS A 112 -9.328 12.210 4.778 1.00 4.42 H new ATOM 0 HG3 LYS A 112 -10.085 12.921 6.190 1.00 4.42 H new ATOM 0 HD2 LYS A 112 -7.923 12.754 6.997 1.00 64.03 H new ATOM 0 HD3 LYS A 112 -8.519 11.189 7.512 1.00 64.03 H new ATOM 0 HE2 LYS A 112 -7.484 10.106 5.527 1.00 21.44 H new ATOM 0 HE3 LYS A 112 -6.953 11.665 4.927 1.00 21.44 H new ATOM 0 HZ1 LYS A 112 -5.181 10.515 6.067 1.00 63.41 H new ATOM 0 HZ2 LYS A 112 -5.590 11.933 6.907 1.00 63.41 H new ATOM 0 HZ3 LYS A 112 -6.104 10.423 7.489 1.00 63.41 H new ATOM 1812 N GLU A 113 -12.171 8.193 4.615 1.00 42.14 N ATOM 1813 CA GLU A 113 -13.119 7.058 4.710 1.00 70.14 C ATOM 1814 C GLU A 113 -12.422 5.696 4.470 1.00 50.42 C ATOM 1815 O GLU A 113 -12.859 4.694 5.013 1.00 60.40 O ATOM 1816 CB GLU A 113 -14.301 7.241 3.721 1.00 52.13 C ATOM 1817 CG GLU A 113 -15.231 8.428 4.045 1.00 30.42 C ATOM 1818 CD GLU A 113 -15.983 8.260 5.378 1.00 53.13 C ATOM 1819 OE1 GLU A 113 -17.035 7.582 5.398 1.00 14.41 O ATOM 1820 OE2 GLU A 113 -15.520 8.778 6.419 1.00 30.45 O ATOM 0 H GLU A 113 -12.347 8.813 3.825 1.00 42.14 H new ATOM 0 HA GLU A 113 -13.509 7.053 5.728 1.00 70.14 H new ATOM 0 HB2 GLU A 113 -13.900 7.374 2.716 1.00 52.13 H new ATOM 0 HB3 GLU A 113 -14.893 6.326 3.709 1.00 52.13 H new ATOM 0 HG2 GLU A 113 -14.642 9.344 4.080 1.00 30.42 H new ATOM 0 HG3 GLU A 113 -15.955 8.545 3.239 1.00 30.42 H new ATOM 1827 N LEU A 114 -11.329 5.671 3.675 1.00 53.42 N ATOM 1828 CA LEU A 114 -10.560 4.422 3.414 1.00 0.34 C ATOM 1829 C LEU A 114 -9.959 3.837 4.718 1.00 75.43 C ATOM 1830 O LEU A 114 -10.184 2.658 5.026 1.00 71.20 O ATOM 1831 CB LEU A 114 -9.443 4.650 2.341 1.00 22.10 C ATOM 1832 CG LEU A 114 -9.870 4.515 0.839 1.00 65.22 C ATOM 1833 CD1 LEU A 114 -10.298 3.068 0.509 1.00 60.53 C ATOM 1834 CD2 LEU A 114 -10.973 5.524 0.459 1.00 71.01 C ATOM 0 H LEU A 114 -10.957 6.495 3.203 1.00 53.42 H new ATOM 0 HA LEU A 114 -11.264 3.692 3.016 1.00 0.34 H new ATOM 0 HB2 LEU A 114 -9.028 5.647 2.488 1.00 22.10 H new ATOM 0 HB3 LEU A 114 -8.639 3.939 2.531 1.00 22.10 H new ATOM 0 HG LEU A 114 -8.996 4.754 0.234 1.00 65.22 H new ATOM 0 HD11 LEU A 114 -10.589 3.005 -0.540 1.00 60.53 H new ATOM 0 HD12 LEU A 114 -9.465 2.391 0.696 1.00 60.53 H new ATOM 0 HD13 LEU A 114 -11.143 2.786 1.137 1.00 60.53 H new ATOM 0 HD21 LEU A 114 -11.238 5.395 -0.590 1.00 71.01 H new ATOM 0 HD22 LEU A 114 -11.853 5.352 1.079 1.00 71.01 H new ATOM 0 HD23 LEU A 114 -10.609 6.539 0.619 1.00 71.01 H new ATOM 1846 N TRP A 115 -9.214 4.666 5.488 1.00 53.41 N ATOM 1847 CA TRP A 115 -8.565 4.193 6.735 1.00 43.01 C ATOM 1848 C TRP A 115 -9.604 4.062 7.878 1.00 65.41 C ATOM 1849 O TRP A 115 -9.616 3.059 8.590 1.00 12.01 O ATOM 1850 CB TRP A 115 -7.340 5.090 7.137 1.00 42.00 C ATOM 1851 CG TRP A 115 -7.627 6.307 8.005 1.00 22.35 C ATOM 1852 CD1 TRP A 115 -8.151 7.508 7.616 1.00 35.20 C ATOM 1853 CD2 TRP A 115 -7.378 6.426 9.417 1.00 30.01 C ATOM 1854 NE1 TRP A 115 -8.269 8.343 8.699 1.00 1.22 N ATOM 1855 CE2 TRP A 115 -7.795 7.702 9.812 1.00 53.12 C ATOM 1856 CE3 TRP A 115 -6.852 5.561 10.380 1.00 2.24 C ATOM 1857 CZ2 TRP A 115 -7.697 8.142 11.135 1.00 2.41 C ATOM 1858 CZ3 TRP A 115 -6.752 5.993 11.689 1.00 12.32 C ATOM 1859 CH2 TRP A 115 -7.173 7.276 12.058 1.00 65.12 C ATOM 0 H TRP A 115 -9.049 5.649 5.273 1.00 53.41 H new ATOM 0 HA TRP A 115 -8.160 3.199 6.547 1.00 43.01 H new ATOM 0 HB2 TRP A 115 -6.619 4.463 7.662 1.00 42.00 H new ATOM 0 HB3 TRP A 115 -6.857 5.433 6.222 1.00 42.00 H new ATOM 0 HD1 TRP A 115 -8.431 7.763 6.605 1.00 35.20 H new ATOM 0 HE1 TRP A 115 -8.649 9.289 8.678 1.00 1.22 H new ATOM 0 HE3 TRP A 115 -6.528 4.568 10.105 1.00 2.24 H new ATOM 0 HZ2 TRP A 115 -8.023 9.131 11.420 1.00 2.41 H new ATOM 0 HZ3 TRP A 115 -6.343 5.331 12.438 1.00 12.32 H new ATOM 0 HH2 TRP A 115 -7.083 7.588 13.088 1.00 65.12 H new ATOM 1870 N ASP A 116 -10.506 5.062 7.993 1.00 3.40 N ATOM 1871 CA ASP A 116 -11.485 5.157 9.107 1.00 71.11 C ATOM 1872 C ASP A 116 -12.536 4.018 9.061 1.00 0.34 C ATOM 1873 O ASP A 116 -12.910 3.486 10.112 1.00 75.01 O ATOM 1874 CB ASP A 116 -12.178 6.539 9.087 1.00 30.22 C ATOM 1875 CG ASP A 116 -13.099 6.789 10.296 1.00 4.51 C ATOM 1876 OD1 ASP A 116 -12.583 6.899 11.428 1.00 33.32 O ATOM 1877 OD2 ASP A 116 -14.331 6.882 10.120 1.00 51.11 O ATOM 0 H ASP A 116 -10.579 5.825 7.320 1.00 3.40 H new ATOM 0 HA ASP A 116 -10.934 5.045 10.041 1.00 71.11 H new ATOM 0 HB2 ASP A 116 -11.415 7.317 9.056 1.00 30.22 H new ATOM 0 HB3 ASP A 116 -12.763 6.629 8.172 1.00 30.22 H new ATOM 1882 N SER A 117 -13.002 3.656 7.845 1.00 15.15 N ATOM 1883 CA SER A 117 -13.901 2.487 7.661 1.00 15.51 C ATOM 1884 C SER A 117 -13.197 1.195 8.098 1.00 51.42 C ATOM 1885 O SER A 117 -13.739 0.442 8.871 1.00 74.44 O ATOM 1886 CB SER A 117 -14.387 2.332 6.202 1.00 25.20 C ATOM 1887 OG SER A 117 -15.242 3.398 5.821 1.00 53.30 O ATOM 0 H SER A 117 -12.775 4.149 6.982 1.00 15.15 H new ATOM 0 HA SER A 117 -14.775 2.668 8.286 1.00 15.51 H new ATOM 0 HB2 SER A 117 -13.527 2.297 5.533 1.00 25.20 H new ATOM 0 HB3 SER A 117 -14.915 1.384 6.092 1.00 25.20 H new ATOM 0 HG SER A 117 -14.707 4.129 5.448 1.00 53.30 H new ATOM 1893 N GLN A 118 -11.968 0.972 7.612 1.00 12.42 N ATOM 1894 CA GLN A 118 -11.186 -0.249 7.923 1.00 33.21 C ATOM 1895 C GLN A 118 -10.818 -0.386 9.425 1.00 74.33 C ATOM 1896 O GLN A 118 -10.711 -1.502 9.922 1.00 52.31 O ATOM 1897 CB GLN A 118 -9.921 -0.306 7.031 1.00 12.13 C ATOM 1898 CG GLN A 118 -10.195 -0.762 5.580 1.00 25.14 C ATOM 1899 CD GLN A 118 -10.559 -2.253 5.467 1.00 24.42 C ATOM 1900 OE1 GLN A 118 -9.929 -3.100 6.269 1.00 61.34 O flip ATOM 1901 NE2 GLN A 118 -11.366 -2.650 4.638 1.00 62.25 N flip ATOM 0 H GLN A 118 -11.484 1.624 6.995 1.00 12.42 H new ATOM 0 HA GLN A 118 -11.828 -1.101 7.701 1.00 33.21 H new ATOM 0 HB2 GLN A 118 -9.459 0.681 7.010 1.00 12.13 H new ATOM 0 HB3 GLN A 118 -9.200 -0.986 7.484 1.00 12.13 H new ATOM 0 HG2 GLN A 118 -11.008 -0.165 5.167 1.00 25.14 H new ATOM 0 HG3 GLN A 118 -9.312 -0.564 4.972 1.00 25.14 H new ATOM 0 HE21 GLN A 118 -11.841 -1.984 4.029 1.00 62.25 H new ATOM 0 HE22 GLN A 118 -11.564 -3.647 4.555 1.00 62.25 H new ATOM 1910 N VAL A 119 -10.629 0.746 10.127 1.00 72.44 N ATOM 1911 CA VAL A 119 -10.362 0.754 11.586 1.00 3.40 C ATOM 1912 C VAL A 119 -11.662 0.458 12.392 1.00 30.35 C ATOM 1913 O VAL A 119 -11.666 -0.390 13.291 1.00 32.21 O ATOM 1914 CB VAL A 119 -9.710 2.119 12.037 1.00 34.44 C ATOM 1915 CG1 VAL A 119 -9.576 2.217 13.578 1.00 30.31 C ATOM 1916 CG2 VAL A 119 -8.324 2.314 11.363 1.00 21.20 C ATOM 0 H VAL A 119 -10.656 1.676 9.708 1.00 72.44 H new ATOM 0 HA VAL A 119 -9.648 -0.041 11.800 1.00 3.40 H new ATOM 0 HB VAL A 119 -10.378 2.917 11.713 1.00 34.44 H new ATOM 0 HG11 VAL A 119 -9.123 3.172 13.844 1.00 30.31 H new ATOM 0 HG12 VAL A 119 -10.563 2.144 14.034 1.00 30.31 H new ATOM 0 HG13 VAL A 119 -8.948 1.404 13.941 1.00 30.31 H new ATOM 0 HG21 VAL A 119 -7.892 3.261 11.687 1.00 21.20 H new ATOM 0 HG22 VAL A 119 -7.662 1.496 11.649 1.00 21.20 H new ATOM 0 HG23 VAL A 119 -8.444 2.322 10.280 1.00 21.20 H new