USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 508 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 53 SER OG : rot 180:sc= 1.01 USER MOD Set 1.2: A 56 THR OG1 : rot 87:sc= 1.2 USER MOD Set 2.1: A 37 SER OG : rot -172:sc= 0.47 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.15 K(o=0.62,f=-1.8) USER MOD Set 3.1: A 14 CYS SG : rot 73:sc= 0.364 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0.342 USER MOD Set 3.3: A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -30:sc= 0.153 USER MOD Single : A 3 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 12 MET CE :methyl -167:sc= -0.18 (180deg=-0.564) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 20 SER OG : rot 78:sc= 0.889 USER MOD Single : A 26 SER OG : rot 71:sc= 1.02 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc=-0.00725 (180deg=-0.0881) USER MOD Single : A 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0719) USER MOD Single : A 33 SER OG : rot -107:sc= -0.0249 USER MOD Single : A 41 SER OG : rot 8:sc= 0.642 USER MOD Single : A 42 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 64 MET CE :methyl -163:sc= 0 (180deg=-0.49) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 5.732 -15.088 -3.224 1.00 0.00 N ATOM 23 CA THR A 2 5.488 -13.659 -3.079 1.00 0.00 C ATOM 24 C THR A 2 4.899 -13.092 -4.369 1.00 0.00 C ATOM 25 O THR A 2 5.115 -13.640 -5.448 1.00 0.00 O ATOM 26 CB THR A 2 6.790 -12.926 -2.720 1.00 0.00 C ATOM 27 OG1 THR A 2 7.801 -13.231 -3.659 1.00 0.00 O ATOM 28 CG2 THR A 2 7.283 -13.288 -1.317 1.00 0.00 C ATOM 0 HA THR A 2 4.772 -13.508 -2.271 1.00 0.00 H new ATOM 0 HB THR A 2 6.571 -11.858 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.653 -14.131 -4.019 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.205 -12.747 -1.105 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.525 -13.014 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.470 -14.360 -1.263 1.00 0.00 H new ATOM 36 N GLN A 3 4.164 -11.982 -4.239 1.00 0.00 N ATOM 37 CA GLN A 3 3.559 -11.230 -5.329 1.00 0.00 C ATOM 38 C GLN A 3 3.741 -9.736 -5.054 1.00 0.00 C ATOM 39 O GLN A 3 4.046 -9.346 -3.928 1.00 0.00 O ATOM 40 CB GLN A 3 2.065 -11.574 -5.423 1.00 0.00 C ATOM 41 CG GLN A 3 1.799 -12.975 -5.990 1.00 0.00 C ATOM 42 CD GLN A 3 2.262 -13.120 -7.438 1.00 0.00 C ATOM 43 OE1 GLN A 3 3.109 -13.955 -7.743 1.00 0.00 O ATOM 44 NE2 GLN A 3 1.705 -12.310 -8.340 1.00 0.00 N ATOM 0 H GLN A 3 3.970 -11.570 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 3 4.037 -11.487 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.619 -11.500 -4.431 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.568 -10.835 -6.051 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.309 -13.715 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.732 -13.191 -5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.004 -11.628 -8.049 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.980 -12.373 -9.320 1.00 0.00 H new ATOM 53 N GLU A 4 3.546 -8.910 -6.090 1.00 0.00 N ATOM 54 CA GLU A 4 3.580 -7.456 -6.005 1.00 0.00 C ATOM 55 C GLU A 4 2.238 -6.899 -6.477 1.00 0.00 C ATOM 56 O GLU A 4 1.626 -7.454 -7.389 1.00 0.00 O ATOM 57 CB GLU A 4 4.745 -6.906 -6.841 1.00 0.00 C ATOM 58 CG GLU A 4 4.946 -5.400 -6.609 1.00 0.00 C ATOM 59 CD GLU A 4 6.169 -4.874 -7.353 1.00 0.00 C ATOM 60 OE1 GLU A 4 6.017 -4.574 -8.557 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.235 -4.779 -6.706 1.00 0.00 O ATOM 0 H GLU A 4 3.356 -9.250 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 4 3.742 -7.144 -4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.661 -7.439 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.553 -7.090 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.059 -4.859 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.058 -5.208 -5.542 1.00 0.00 H new ATOM 68 N THR A 5 1.786 -5.805 -5.851 1.00 0.00 N ATOM 69 CA THR A 5 0.562 -5.106 -6.213 1.00 0.00 C ATOM 70 C THR A 5 0.795 -3.600 -6.135 1.00 0.00 C ATOM 71 O THR A 5 1.504 -3.126 -5.248 1.00 0.00 O ATOM 72 CB THR A 5 -0.601 -5.557 -5.313 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.809 -4.970 -5.750 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.391 -5.218 -3.832 1.00 0.00 C ATOM 0 H THR A 5 2.276 -5.378 -5.064 1.00 0.00 H new ATOM 0 HA THR A 5 0.287 -5.353 -7.238 1.00 0.00 H new ATOM 0 HB THR A 5 -0.645 -6.643 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.341 -4.700 -4.973 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.248 -5.564 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.512 -5.710 -3.471 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.287 -4.139 -3.717 1.00 0.00 H new ATOM 82 N VAL A 6 0.183 -2.861 -7.068 1.00 0.00 N ATOM 83 CA VAL A 6 0.158 -1.409 -7.077 1.00 0.00 C ATOM 84 C VAL A 6 -1.258 -0.979 -6.699 1.00 0.00 C ATOM 85 O VAL A 6 -2.213 -1.273 -7.419 1.00 0.00 O ATOM 86 CB VAL A 6 0.591 -0.860 -8.448 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.566 0.675 -8.445 1.00 0.00 C ATOM 88 CG2 VAL A 6 2.008 -1.329 -8.800 1.00 0.00 C ATOM 0 H VAL A 6 -0.319 -3.275 -7.854 1.00 0.00 H new ATOM 0 HA VAL A 6 0.868 -1.001 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.111 -1.238 -9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.875 1.046 -9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.444 1.022 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.250 1.049 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.293 -0.929 -9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.707 -0.974 -8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.033 -2.418 -8.834 1.00 0.00 H new ATOM 98 N ILE A 7 -1.381 -0.287 -5.564 1.00 0.00 N ATOM 99 CA ILE A 7 -2.623 0.302 -5.096 1.00 0.00 C ATOM 100 C ILE A 7 -2.572 1.782 -5.461 1.00 0.00 C ATOM 101 O ILE A 7 -1.636 2.472 -5.072 1.00 0.00 O ATOM 102 CB ILE A 7 -2.758 0.119 -3.573 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.552 -1.332 -3.101 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.116 0.654 -3.098 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.557 -2.335 -3.673 1.00 0.00 C ATOM 0 H ILE A 7 -0.596 -0.121 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.486 -0.178 -5.557 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.952 0.696 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.546 -1.650 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.611 -1.358 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.203 0.520 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.194 1.714 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.917 0.108 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.337 -3.331 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.566 -2.047 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.484 -2.343 -4.761 1.00 0.00 H new ATOM 117 N ASN A 8 -3.570 2.270 -6.200 1.00 0.00 N ATOM 118 CA ASN A 8 -3.721 3.681 -6.526 1.00 0.00 C ATOM 119 C ASN A 8 -4.392 4.361 -5.334 1.00 0.00 C ATOM 120 O ASN A 8 -5.557 4.081 -5.055 1.00 0.00 O ATOM 121 CB ASN A 8 -4.565 3.841 -7.799 1.00 0.00 C ATOM 122 CG ASN A 8 -3.892 3.273 -9.049 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.774 2.761 -9.001 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.581 3.364 -10.187 1.00 0.00 N ATOM 0 H ASN A 8 -4.306 1.683 -6.593 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.752 4.141 -6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.525 3.345 -7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.774 4.899 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.183 3.003 -11.054 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.506 3.795 -10.190 1.00 0.00 H new ATOM 131 N ILE A 9 -3.652 5.228 -4.630 1.00 0.00 N ATOM 132 CA ILE A 9 -4.080 5.863 -3.390 1.00 0.00 C ATOM 133 C ILE A 9 -4.380 7.331 -3.681 1.00 0.00 C ATOM 134 O ILE A 9 -3.461 8.130 -3.856 1.00 0.00 O ATOM 135 CB ILE A 9 -3.002 5.721 -2.295 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.596 4.250 -2.095 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.540 6.312 -0.980 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.448 4.085 -1.095 1.00 0.00 C ATOM 0 H ILE A 9 -2.716 5.510 -4.920 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.979 5.373 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.111 6.266 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.460 3.683 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.301 3.825 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.784 6.215 -0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.778 7.366 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.440 5.774 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.203 3.028 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.573 4.627 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.750 4.483 -0.126 1.00 0.00 H new ATOM 150 N ASP A 10 -5.668 7.681 -3.715 1.00 0.00 N ATOM 151 CA ASP A 10 -6.133 9.041 -3.936 1.00 0.00 C ATOM 152 C ASP A 10 -6.492 9.653 -2.582 1.00 0.00 C ATOM 153 O ASP A 10 -7.236 9.052 -1.809 1.00 0.00 O ATOM 154 CB ASP A 10 -7.334 9.021 -4.888 1.00 0.00 C ATOM 155 CG ASP A 10 -6.968 8.400 -6.234 1.00 0.00 C ATOM 156 OD1 ASP A 10 -6.433 9.150 -7.079 1.00 0.00 O ATOM 157 OD2 ASP A 10 -7.225 7.186 -6.393 1.00 0.00 O ATOM 0 H ASP A 10 -6.426 7.011 -3.587 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.357 9.650 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.150 8.457 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.696 10.038 -5.041 1.00 0.00 H new ATOM 162 N GLY A 11 -5.948 10.843 -2.297 1.00 0.00 N ATOM 163 CA GLY A 11 -6.158 11.567 -1.049 1.00 0.00 C ATOM 164 C GLY A 11 -4.848 11.962 -0.361 1.00 0.00 C ATOM 165 O GLY A 11 -4.890 12.659 0.653 1.00 0.00 O ATOM 0 H GLY A 11 -5.336 11.336 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.742 12.465 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.747 10.949 -0.371 1.00 0.00 H new ATOM 169 N MET A 12 -3.690 11.541 -0.891 1.00 0.00 N ATOM 170 CA MET A 12 -2.401 11.870 -0.301 1.00 0.00 C ATOM 171 C MET A 12 -2.062 13.300 -0.702 1.00 0.00 C ATOM 172 O MET A 12 -1.719 13.571 -1.851 1.00 0.00 O ATOM 173 CB MET A 12 -1.314 10.890 -0.761 1.00 0.00 C ATOM 174 CG MET A 12 -1.584 9.478 -0.235 1.00 0.00 C ATOM 175 SD MET A 12 -0.228 8.293 -0.444 1.00 0.00 S ATOM 176 CE MET A 12 0.001 8.368 -2.233 1.00 0.00 C ATOM 0 H MET A 12 -3.629 10.969 -1.733 1.00 0.00 H new ATOM 0 HA MET A 12 -2.452 11.787 0.785 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.273 10.874 -1.850 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.340 11.232 -0.410 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.825 9.544 0.826 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.467 9.085 -0.738 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.632 7.539 -2.554 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.968 8.299 -2.727 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.478 9.311 -2.500 1.00 0.00 H new ATOM 186 N THR A 13 -2.187 14.211 0.265 1.00 0.00 N ATOM 187 CA THR A 13 -2.040 15.643 0.066 1.00 0.00 C ATOM 188 C THR A 13 -0.563 16.032 0.139 1.00 0.00 C ATOM 189 O THR A 13 -0.129 16.933 -0.576 1.00 0.00 O ATOM 190 CB THR A 13 -2.875 16.371 1.131 1.00 0.00 C ATOM 191 OG1 THR A 13 -4.224 15.954 1.038 1.00 0.00 O ATOM 192 CG2 THR A 13 -2.827 17.893 0.961 1.00 0.00 C ATOM 0 H THR A 13 -2.399 13.961 1.231 1.00 0.00 H new ATOM 0 HA THR A 13 -2.401 15.932 -0.921 1.00 0.00 H new ATOM 0 HB THR A 13 -2.452 16.120 2.103 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.757 16.417 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.431 18.365 1.736 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.796 18.236 1.046 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.219 18.162 -0.020 1.00 0.00 H new ATOM 200 N CYS A 14 0.206 15.354 1.000 1.00 0.00 N ATOM 201 CA CYS A 14 1.609 15.671 1.241 1.00 0.00 C ATOM 202 C CYS A 14 2.326 14.455 1.826 1.00 0.00 C ATOM 203 O CYS A 14 1.691 13.477 2.222 1.00 0.00 O ATOM 204 CB CYS A 14 1.731 16.913 2.141 1.00 0.00 C ATOM 205 SG CYS A 14 0.565 16.958 3.523 1.00 0.00 S ATOM 0 H CYS A 14 -0.135 14.566 1.550 1.00 0.00 H new ATOM 0 HA CYS A 14 2.096 15.913 0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.745 16.961 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.585 17.804 1.530 1.00 0.00 H new ATOM 0 HG CYS A 14 0.919 16.084 4.418 1.00 0.00 H new ATOM 210 N ASN A 15 3.663 14.524 1.854 1.00 0.00 N ATOM 211 CA ASN A 15 4.552 13.414 2.181 1.00 0.00 C ATOM 212 C ASN A 15 4.335 12.842 3.583 1.00 0.00 C ATOM 213 O ASN A 15 4.706 11.697 3.825 1.00 0.00 O ATOM 214 CB ASN A 15 6.010 13.844 1.989 1.00 0.00 C ATOM 215 CG ASN A 15 6.286 14.243 0.541 1.00 0.00 C ATOM 216 OD1 ASN A 15 6.372 15.428 0.228 1.00 0.00 O ATOM 217 ND2 ASN A 15 6.416 13.256 -0.347 1.00 0.00 N ATOM 0 H ASN A 15 4.167 15.385 1.642 1.00 0.00 H new ATOM 0 HA ASN A 15 4.309 12.604 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.234 14.683 2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.673 13.028 2.276 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.594 13.473 -1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.338 12.285 -0.045 1.00 0.00 H new ATOM 224 N SER A 16 3.727 13.603 4.501 1.00 0.00 N ATOM 225 CA SER A 16 3.318 13.092 5.803 1.00 0.00 C ATOM 226 C SER A 16 2.463 11.829 5.644 1.00 0.00 C ATOM 227 O SER A 16 2.655 10.855 6.370 1.00 0.00 O ATOM 228 CB SER A 16 2.562 14.186 6.565 1.00 0.00 C ATOM 229 OG SER A 16 1.462 14.656 5.813 1.00 0.00 O ATOM 0 H SER A 16 3.508 14.589 4.357 1.00 0.00 H new ATOM 0 HA SER A 16 4.202 12.815 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.214 13.795 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.237 15.013 6.786 1.00 0.00 H new ATOM 0 HG SER A 16 0.993 15.352 6.319 1.00 0.00 H new ATOM 235 N CYS A 17 1.532 11.848 4.681 1.00 0.00 N ATOM 236 CA CYS A 17 0.651 10.727 4.393 1.00 0.00 C ATOM 237 C CYS A 17 1.448 9.549 3.843 1.00 0.00 C ATOM 238 O CYS A 17 1.280 8.433 4.324 1.00 0.00 O ATOM 239 CB CYS A 17 -0.461 11.156 3.434 1.00 0.00 C ATOM 240 SG CYS A 17 -1.510 12.469 4.109 1.00 0.00 S ATOM 0 H CYS A 17 1.374 12.655 4.078 1.00 0.00 H new ATOM 0 HA CYS A 17 0.180 10.400 5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.016 11.498 2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.080 10.291 3.194 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.427 12.781 3.242 1.00 0.00 H new ATOM 245 N VAL A 18 2.320 9.796 2.857 1.00 0.00 N ATOM 246 CA VAL A 18 3.202 8.788 2.276 1.00 0.00 C ATOM 247 C VAL A 18 3.961 8.045 3.379 1.00 0.00 C ATOM 248 O VAL A 18 3.928 6.817 3.435 1.00 0.00 O ATOM 249 CB VAL A 18 4.169 9.456 1.279 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.234 8.487 0.753 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.400 10.023 0.082 1.00 0.00 C ATOM 0 H VAL A 18 2.431 10.719 2.437 1.00 0.00 H new ATOM 0 HA VAL A 18 2.606 8.054 1.734 1.00 0.00 H new ATOM 0 HB VAL A 18 4.668 10.255 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.888 9.009 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.823 8.106 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.749 7.655 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.099 10.491 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.871 9.217 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.682 10.766 0.430 1.00 0.00 H new ATOM 261 N GLN A 19 4.632 8.803 4.252 1.00 0.00 N ATOM 262 CA GLN A 19 5.420 8.289 5.362 1.00 0.00 C ATOM 263 C GLN A 19 4.562 7.435 6.298 1.00 0.00 C ATOM 264 O GLN A 19 4.953 6.318 6.631 1.00 0.00 O ATOM 265 CB GLN A 19 6.058 9.464 6.115 1.00 0.00 C ATOM 266 CG GLN A 19 7.155 10.139 5.280 1.00 0.00 C ATOM 267 CD GLN A 19 7.547 11.493 5.865 1.00 0.00 C ATOM 268 OE1 GLN A 19 7.311 12.532 5.253 1.00 0.00 O ATOM 269 NE2 GLN A 19 8.150 11.486 7.056 1.00 0.00 N ATOM 0 H GLN A 19 4.638 9.822 4.199 1.00 0.00 H new ATOM 0 HA GLN A 19 6.208 7.645 4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.290 10.195 6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.481 9.108 7.054 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.031 9.492 5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.806 10.271 4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.328 10.602 7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.432 12.365 7.490 1.00 0.00 H new ATOM 278 N SER A 20 3.402 7.956 6.720 1.00 0.00 N ATOM 279 CA SER A 20 2.499 7.262 7.632 1.00 0.00 C ATOM 280 C SER A 20 2.035 5.928 7.043 1.00 0.00 C ATOM 281 O SER A 20 2.191 4.886 7.676 1.00 0.00 O ATOM 282 CB SER A 20 1.301 8.157 7.968 1.00 0.00 C ATOM 283 OG SER A 20 1.733 9.346 8.594 1.00 0.00 O ATOM 0 H SER A 20 3.067 8.876 6.434 1.00 0.00 H new ATOM 0 HA SER A 20 3.041 7.043 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.752 8.397 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.613 7.623 8.624 1.00 0.00 H new ATOM 0 HG SER A 20 2.083 9.963 7.918 1.00 0.00 H new ATOM 289 N ILE A 21 1.471 5.970 5.830 1.00 0.00 N ATOM 290 CA ILE A 21 0.960 4.810 5.112 1.00 0.00 C ATOM 291 C ILE A 21 2.055 3.749 4.999 1.00 0.00 C ATOM 292 O ILE A 21 1.849 2.606 5.405 1.00 0.00 O ATOM 293 CB ILE A 21 0.433 5.247 3.729 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.829 6.119 3.883 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.110 4.035 2.844 1.00 0.00 C ATOM 296 CD1 ILE A 21 -1.118 6.913 2.606 1.00 0.00 C ATOM 0 H ILE A 21 1.357 6.841 5.311 1.00 0.00 H new ATOM 0 HA ILE A 21 0.128 4.368 5.660 1.00 0.00 H new ATOM 0 HB ILE A 21 1.220 5.828 3.248 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.684 5.486 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.699 6.806 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.259 4.378 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.012 3.440 2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.653 3.425 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.014 7.517 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.273 7.564 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.273 6.224 1.776 1.00 0.00 H new ATOM 308 N GLU A 22 3.213 4.135 4.451 1.00 0.00 N ATOM 309 CA GLU A 22 4.340 3.241 4.240 1.00 0.00 C ATOM 310 C GLU A 22 4.763 2.585 5.554 1.00 0.00 C ATOM 311 O GLU A 22 4.846 1.361 5.627 1.00 0.00 O ATOM 312 CB GLU A 22 5.490 4.017 3.585 1.00 0.00 C ATOM 313 CG GLU A 22 6.623 3.081 3.158 1.00 0.00 C ATOM 314 CD GLU A 22 7.624 3.806 2.263 1.00 0.00 C ATOM 315 OE1 GLU A 22 7.380 3.824 1.037 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.611 4.333 2.821 1.00 0.00 O ATOM 0 H GLU A 22 3.388 5.091 4.140 1.00 0.00 H new ATOM 0 HA GLU A 22 4.047 2.435 3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.117 4.559 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.874 4.760 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.132 2.695 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.210 2.223 2.627 1.00 0.00 H new ATOM 323 N GLY A 23 5.015 3.401 6.585 1.00 0.00 N ATOM 324 CA GLY A 23 5.445 2.957 7.902 1.00 0.00 C ATOM 325 C GLY A 23 4.512 1.898 8.485 1.00 0.00 C ATOM 326 O GLY A 23 4.973 0.839 8.905 1.00 0.00 O ATOM 0 H GLY A 23 4.921 4.414 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.455 2.553 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.488 3.812 8.576 1.00 0.00 H new ATOM 330 N VAL A 24 3.203 2.180 8.505 1.00 0.00 N ATOM 331 CA VAL A 24 2.194 1.263 9.018 1.00 0.00 C ATOM 332 C VAL A 24 2.229 -0.058 8.243 1.00 0.00 C ATOM 333 O VAL A 24 2.351 -1.120 8.851 1.00 0.00 O ATOM 334 CB VAL A 24 0.807 1.934 8.978 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.319 0.932 9.267 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.734 3.053 10.026 1.00 0.00 C ATOM 0 H VAL A 24 2.818 3.060 8.161 1.00 0.00 H new ATOM 0 HA VAL A 24 2.411 1.024 10.059 1.00 0.00 H new ATOM 0 HB VAL A 24 0.674 2.336 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.280 1.444 9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.301 0.139 8.519 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.176 0.500 10.258 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.250 3.521 9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.900 2.634 11.018 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.499 3.800 9.815 1.00 0.00 H new ATOM 346 N ILE A 25 2.121 0.006 6.911 1.00 0.00 N ATOM 347 CA ILE A 25 2.019 -1.178 6.064 1.00 0.00 C ATOM 348 C ILE A 25 3.273 -2.056 6.168 1.00 0.00 C ATOM 349 O ILE A 25 3.151 -3.279 6.155 1.00 0.00 O ATOM 350 CB ILE A 25 1.659 -0.779 4.621 1.00 0.00 C ATOM 351 CG1 ILE A 25 0.251 -0.156 4.609 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.674 -2.002 3.693 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.116 0.439 3.249 1.00 0.00 C ATOM 0 H ILE A 25 2.102 0.885 6.393 1.00 0.00 H new ATOM 0 HA ILE A 25 1.201 -1.801 6.426 1.00 0.00 H new ATOM 0 HB ILE A 25 2.398 -0.062 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.481 -0.917 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.196 0.623 5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.416 -1.693 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.669 -2.448 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.948 -2.735 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.118 0.865 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.598 1.220 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.090 -0.343 2.491 1.00 0.00 H new ATOM 365 N SER A 26 4.465 -1.454 6.295 1.00 0.00 N ATOM 366 CA SER A 26 5.722 -2.181 6.470 1.00 0.00 C ATOM 367 C SER A 26 5.667 -3.193 7.621 1.00 0.00 C ATOM 368 O SER A 26 6.342 -4.218 7.558 1.00 0.00 O ATOM 369 CB SER A 26 6.880 -1.204 6.705 1.00 0.00 C ATOM 370 OG SER A 26 7.074 -0.364 5.589 1.00 0.00 O ATOM 0 H SER A 26 4.580 -0.441 6.278 1.00 0.00 H new ATOM 0 HA SER A 26 5.887 -2.739 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.675 -0.598 7.588 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.794 -1.762 6.907 1.00 0.00 H new ATOM 0 HG SER A 26 6.333 0.274 5.527 1.00 0.00 H new ATOM 376 N LYS A 27 4.874 -2.914 8.664 1.00 0.00 N ATOM 377 CA LYS A 27 4.792 -3.744 9.859 1.00 0.00 C ATOM 378 C LYS A 27 3.725 -4.840 9.733 1.00 0.00 C ATOM 379 O LYS A 27 3.673 -5.725 10.585 1.00 0.00 O ATOM 380 CB LYS A 27 4.494 -2.854 11.074 1.00 0.00 C ATOM 381 CG LYS A 27 5.621 -1.842 11.323 1.00 0.00 C ATOM 382 CD LYS A 27 5.373 -0.995 12.579 1.00 0.00 C ATOM 383 CE LYS A 27 4.212 -0.011 12.399 1.00 0.00 C ATOM 384 NZ LYS A 27 4.054 0.850 13.582 1.00 0.00 N ATOM 0 H LYS A 27 4.267 -2.095 8.696 1.00 0.00 H new ATOM 0 HA LYS A 27 5.751 -4.245 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.556 -2.323 10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.362 -3.477 11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.567 -2.373 11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.716 -1.186 10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.161 -1.653 13.422 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.279 -0.442 12.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.389 0.606 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.289 -0.563 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.261 1.505 13.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.862 0.261 14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.928 1.393 13.735 1.00 0.00 H new ATOM 398 N LYS A 28 2.877 -4.803 8.694 1.00 0.00 N ATOM 399 CA LYS A 28 1.815 -5.785 8.515 1.00 0.00 C ATOM 400 C LYS A 28 2.410 -7.115 8.036 1.00 0.00 C ATOM 401 O LYS A 28 3.326 -7.113 7.211 1.00 0.00 O ATOM 402 CB LYS A 28 0.766 -5.263 7.522 1.00 0.00 C ATOM 403 CG LYS A 28 0.113 -3.944 7.961 1.00 0.00 C ATOM 404 CD LYS A 28 -0.817 -4.107 9.171 1.00 0.00 C ATOM 405 CE LYS A 28 -1.372 -2.755 9.630 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.212 -2.119 8.601 1.00 0.00 N ATOM 0 H LYS A 28 2.913 -4.093 7.962 1.00 0.00 H new ATOM 0 HA LYS A 28 1.319 -5.953 9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.237 -5.121 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.009 -6.018 7.393 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.893 -3.222 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.454 -3.531 7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.641 -4.772 8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.273 -4.577 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.957 -2.894 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.545 -2.091 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.687 -1.287 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.617 -1.823 7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.926 -2.797 8.268 1.00 0.00 H new ATOM 420 N PRO A 29 1.913 -8.257 8.540 1.00 0.00 N ATOM 421 CA PRO A 29 2.465 -9.565 8.230 1.00 0.00 C ATOM 422 C PRO A 29 2.281 -9.875 6.745 1.00 0.00 C ATOM 423 O PRO A 29 1.230 -9.590 6.173 1.00 0.00 O ATOM 424 CB PRO A 29 1.715 -10.554 9.125 1.00 0.00 C ATOM 425 CG PRO A 29 0.374 -9.863 9.366 1.00 0.00 C ATOM 426 CD PRO A 29 0.764 -8.387 9.422 1.00 0.00 C ATOM 0 HA PRO A 29 3.537 -9.620 8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.588 -11.521 8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.248 -10.735 10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.336 -10.064 8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.092 -10.195 10.294 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.058 -7.751 9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.013 -8.085 10.439 1.00 0.00 H new ATOM 434 N GLY A 30 3.321 -10.444 6.128 1.00 0.00 N ATOM 435 CA GLY A 30 3.351 -10.739 4.707 1.00 0.00 C ATOM 436 C GLY A 30 4.145 -9.695 3.930 1.00 0.00 C ATOM 437 O GLY A 30 4.834 -10.059 2.980 1.00 0.00 O ATOM 0 H GLY A 30 4.175 -10.714 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.792 -11.723 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.332 -10.781 4.323 1.00 0.00 H new ATOM 441 N VAL A 31 4.048 -8.414 4.317 1.00 0.00 N ATOM 442 CA VAL A 31 4.685 -7.316 3.598 1.00 0.00 C ATOM 443 C VAL A 31 6.207 -7.412 3.717 1.00 0.00 C ATOM 444 O VAL A 31 6.726 -7.762 4.776 1.00 0.00 O ATOM 445 CB VAL A 31 4.162 -5.961 4.109 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.854 -4.794 3.389 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.648 -5.863 3.881 1.00 0.00 C ATOM 0 H VAL A 31 3.523 -8.117 5.140 1.00 0.00 H new ATOM 0 HA VAL A 31 4.429 -7.392 2.541 1.00 0.00 H new ATOM 0 HB VAL A 31 4.383 -5.898 5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.465 -3.850 3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.928 -4.842 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.660 -4.861 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.287 -4.901 4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.434 -5.951 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.146 -6.667 4.420 1.00 0.00 H new ATOM 457 N LYS A 32 6.907 -7.097 2.619 1.00 0.00 N ATOM 458 CA LYS A 32 8.359 -7.056 2.548 1.00 0.00 C ATOM 459 C LYS A 32 8.786 -5.642 2.144 1.00 0.00 C ATOM 460 O LYS A 32 8.760 -4.745 2.985 1.00 0.00 O ATOM 461 CB LYS A 32 8.865 -8.163 1.610 1.00 0.00 C ATOM 462 CG LYS A 32 8.467 -9.541 2.157 1.00 0.00 C ATOM 463 CD LYS A 32 9.094 -10.672 1.334 1.00 0.00 C ATOM 464 CE LYS A 32 8.593 -12.045 1.800 1.00 0.00 C ATOM 465 NZ LYS A 32 8.949 -12.322 3.202 1.00 0.00 N ATOM 0 H LYS A 32 6.458 -6.858 1.735 1.00 0.00 H new ATOM 0 HA LYS A 32 8.817 -7.261 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.447 -8.024 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.949 -8.101 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.784 -9.627 3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.381 -9.639 2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.854 -10.534 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.180 -10.630 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.510 -12.092 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.015 -12.820 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.696 -13.303 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.972 -12.187 3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.431 -11.672 3.827 1.00 0.00 H new ATOM 479 N SER A 33 9.170 -5.426 0.879 1.00 0.00 N ATOM 480 CA SER A 33 9.553 -4.111 0.380 1.00 0.00 C ATOM 481 C SER A 33 8.306 -3.334 -0.043 1.00 0.00 C ATOM 482 O SER A 33 7.333 -3.927 -0.507 1.00 0.00 O ATOM 483 CB SER A 33 10.542 -4.263 -0.779 1.00 0.00 C ATOM 484 OG SER A 33 9.985 -5.054 -1.806 1.00 0.00 O ATOM 0 H SER A 33 9.222 -6.164 0.176 1.00 0.00 H new ATOM 0 HA SER A 33 10.048 -3.547 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.805 -3.281 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.464 -4.720 -0.420 1.00 0.00 H new ATOM 0 HG SER A 33 10.418 -5.933 -1.813 1.00 0.00 H new ATOM 490 N ILE A 34 8.338 -2.008 0.123 1.00 0.00 N ATOM 491 CA ILE A 34 7.218 -1.131 -0.179 1.00 0.00 C ATOM 492 C ILE A 34 7.730 0.249 -0.597 1.00 0.00 C ATOM 493 O ILE A 34 8.690 0.754 -0.016 1.00 0.00 O ATOM 494 CB ILE A 34 6.241 -1.075 1.012 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.125 -0.058 0.718 1.00 0.00 C ATOM 496 CG2 ILE A 34 6.950 -0.755 2.337 1.00 0.00 C ATOM 497 CD1 ILE A 34 3.957 -0.150 1.701 1.00 0.00 C ATOM 0 H ILE A 34 9.157 -1.513 0.476 1.00 0.00 H new ATOM 0 HA ILE A 34 6.656 -1.531 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 34 5.802 -2.065 1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.541 0.949 0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.754 -0.217 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.218 -0.727 3.144 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.693 -1.525 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.443 0.214 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.203 0.593 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.517 -1.146 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.317 0.038 2.712 1.00 0.00 H new ATOM 509 N ARG A 35 7.082 0.844 -1.609 1.00 0.00 N ATOM 510 CA ARG A 35 7.408 2.155 -2.152 1.00 0.00 C ATOM 511 C ARG A 35 6.107 2.937 -2.347 1.00 0.00 C ATOM 512 O ARG A 35 5.387 2.701 -3.317 1.00 0.00 O ATOM 513 CB ARG A 35 8.174 2.035 -3.483 1.00 0.00 C ATOM 514 CG ARG A 35 9.356 1.055 -3.458 1.00 0.00 C ATOM 515 CD ARG A 35 8.922 -0.342 -3.919 1.00 0.00 C ATOM 516 NE ARG A 35 10.029 -1.299 -3.852 1.00 0.00 N ATOM 517 CZ ARG A 35 9.944 -2.570 -4.273 1.00 0.00 C ATOM 518 NH1 ARG A 35 8.796 -3.046 -4.775 1.00 0.00 N ATOM 519 NH2 ARG A 35 11.011 -3.374 -4.195 1.00 0.00 N ATOM 0 H ARG A 35 6.292 0.405 -2.082 1.00 0.00 H new ATOM 0 HA ARG A 35 8.059 2.682 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.477 1.722 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.543 3.021 -3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.153 1.424 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.765 0.998 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.099 -0.692 -3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.548 -0.289 -4.941 1.00 0.00 H new ATOM 0 HE ARG A 35 10.916 -0.980 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.978 -2.441 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.741 -4.014 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.889 -3.021 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.946 -4.340 -4.515 1.00 0.00 H new ATOM 533 N VAL A 36 5.808 3.865 -1.429 1.00 0.00 N ATOM 534 CA VAL A 36 4.671 4.774 -1.532 1.00 0.00 C ATOM 535 C VAL A 36 5.169 6.108 -2.095 1.00 0.00 C ATOM 536 O VAL A 36 6.250 6.564 -1.724 1.00 0.00 O ATOM 537 CB VAL A 36 3.966 4.918 -0.170 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.662 5.718 -0.297 1.00 0.00 C ATOM 539 CG2 VAL A 36 3.616 3.547 0.423 1.00 0.00 C ATOM 0 H VAL A 36 6.361 4.003 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 36 3.919 4.377 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 36 4.664 5.442 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.189 5.801 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.882 6.715 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.987 5.207 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.120 3.682 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.951 3.015 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.529 2.968 0.564 1.00 0.00 H new ATOM 549 N SER A 37 4.394 6.717 -3.004 1.00 0.00 N ATOM 550 CA SER A 37 4.778 7.919 -3.734 1.00 0.00 C ATOM 551 C SER A 37 3.626 8.922 -3.765 1.00 0.00 C ATOM 552 O SER A 37 2.513 8.572 -4.154 1.00 0.00 O ATOM 553 CB SER A 37 5.172 7.533 -5.163 1.00 0.00 C ATOM 554 OG SER A 37 5.436 8.687 -5.937 1.00 0.00 O ATOM 0 H SER A 37 3.465 6.376 -3.252 1.00 0.00 H new ATOM 0 HA SER A 37 5.624 8.386 -3.230 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.054 6.893 -5.142 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.370 6.956 -5.623 1.00 0.00 H new ATOM 0 HG SER A 37 5.556 8.431 -6.875 1.00 0.00 H new ATOM 560 N LEU A 38 3.918 10.173 -3.384 1.00 0.00 N ATOM 561 CA LEU A 38 3.018 11.308 -3.531 1.00 0.00 C ATOM 562 C LEU A 38 2.824 11.605 -5.019 1.00 0.00 C ATOM 563 O LEU A 38 1.693 11.679 -5.496 1.00 0.00 O ATOM 564 CB LEU A 38 3.613 12.524 -2.798 1.00 0.00 C ATOM 565 CG LEU A 38 2.765 13.804 -2.890 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.403 13.634 -2.206 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.526 14.951 -2.217 1.00 0.00 C ATOM 0 H LEU A 38 4.810 10.422 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 38 2.046 11.082 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.748 12.268 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.603 12.729 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 38 2.587 14.021 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.834 14.560 -2.293 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.853 12.824 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.552 13.397 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.934 15.864 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.707 14.703 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.479 15.103 -2.724 1.00 0.00 H new ATOM 579 N ALA A 39 3.942 11.769 -5.740 1.00 0.00 N ATOM 580 CA ALA A 39 3.982 12.127 -7.152 1.00 0.00 C ATOM 581 C ALA A 39 3.122 11.192 -8.002 1.00 0.00 C ATOM 582 O ALA A 39 2.316 11.661 -8.803 1.00 0.00 O ATOM 583 CB ALA A 39 5.435 12.120 -7.637 1.00 0.00 C ATOM 0 H ALA A 39 4.871 11.650 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 39 3.566 13.128 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.467 12.388 -8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.014 12.842 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.859 11.125 -7.502 1.00 0.00 H new ATOM 589 N ASN A 40 3.285 9.877 -7.819 1.00 0.00 N ATOM 590 CA ASN A 40 2.535 8.872 -8.564 1.00 0.00 C ATOM 591 C ASN A 40 1.221 8.505 -7.864 1.00 0.00 C ATOM 592 O ASN A 40 0.424 7.767 -8.440 1.00 0.00 O ATOM 593 CB ASN A 40 3.413 7.633 -8.778 1.00 0.00 C ATOM 594 CG ASN A 40 4.686 7.960 -9.556 1.00 0.00 C ATOM 595 OD1 ASN A 40 5.780 7.948 -8.997 1.00 0.00 O ATOM 596 ND2 ASN A 40 4.548 8.253 -10.850 1.00 0.00 N ATOM 0 H ASN A 40 3.944 9.484 -7.147 1.00 0.00 H new ATOM 0 HA ASN A 40 2.266 9.292 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.679 7.206 -7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.844 6.874 -9.316 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.369 8.478 -11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.622 8.252 -11.277 1.00 0.00 H new ATOM 603 N SER A 41 0.985 9.020 -6.645 1.00 0.00 N ATOM 604 CA SER A 41 -0.239 8.832 -5.874 1.00 0.00 C ATOM 605 C SER A 41 -0.606 7.351 -5.770 1.00 0.00 C ATOM 606 O SER A 41 -1.717 6.950 -6.116 1.00 0.00 O ATOM 607 CB SER A 41 -1.368 9.690 -6.463 1.00 0.00 C ATOM 608 OG SER A 41 -1.039 11.060 -6.354 1.00 0.00 O ATOM 0 H SER A 41 1.671 9.598 -6.159 1.00 0.00 H new ATOM 0 HA SER A 41 -0.074 9.172 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.528 9.428 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.301 9.488 -5.938 1.00 0.00 H new ATOM 0 HG SER A 41 -0.113 11.151 -6.045 1.00 0.00 H new ATOM 614 N ASN A 42 0.345 6.534 -5.303 1.00 0.00 N ATOM 615 CA ASN A 42 0.192 5.088 -5.263 1.00 0.00 C ATOM 616 C ASN A 42 1.108 4.451 -4.219 1.00 0.00 C ATOM 617 O ASN A 42 1.958 5.122 -3.635 1.00 0.00 O ATOM 618 CB ASN A 42 0.403 4.488 -6.667 1.00 0.00 C ATOM 619 CG ASN A 42 1.829 4.625 -7.204 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.709 5.185 -6.556 1.00 0.00 O ATOM 621 ND2 ASN A 42 2.063 4.100 -8.407 1.00 0.00 N ATOM 0 H ASN A 42 1.241 6.864 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.828 4.860 -4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.137 3.431 -6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.282 4.972 -7.363 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.996 4.157 -8.816 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.309 3.641 -8.919 1.00 0.00 H new ATOM 628 N GLY A 43 0.911 3.145 -4.005 1.00 0.00 N ATOM 629 CA GLY A 43 1.669 2.301 -3.102 1.00 0.00 C ATOM 630 C GLY A 43 2.003 0.993 -3.809 1.00 0.00 C ATOM 631 O GLY A 43 1.104 0.200 -4.081 1.00 0.00 O ATOM 0 H GLY A 43 0.176 2.630 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.584 2.806 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.093 2.104 -2.198 1.00 0.00 H new ATOM 635 N THR A 44 3.292 0.772 -4.092 1.00 0.00 N ATOM 636 CA THR A 44 3.799 -0.426 -4.746 1.00 0.00 C ATOM 637 C THR A 44 4.341 -1.335 -3.648 1.00 0.00 C ATOM 638 O THR A 44 5.412 -1.070 -3.106 1.00 0.00 O ATOM 639 CB THR A 44 4.888 -0.040 -5.759 1.00 0.00 C ATOM 640 OG1 THR A 44 4.337 0.827 -6.731 1.00 0.00 O ATOM 641 CG2 THR A 44 5.466 -1.273 -6.463 1.00 0.00 C ATOM 0 H THR A 44 4.026 1.443 -3.864 1.00 0.00 H new ATOM 0 HA THR A 44 3.019 -0.947 -5.302 1.00 0.00 H new ATOM 0 HB THR A 44 5.693 0.454 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.030 1.076 -7.378 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.233 -0.961 -7.172 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.906 -1.942 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.670 -1.794 -6.995 1.00 0.00 H new ATOM 649 N VAL A 45 3.580 -2.384 -3.312 1.00 0.00 N ATOM 650 CA VAL A 45 3.816 -3.240 -2.159 1.00 0.00 C ATOM 651 C VAL A 45 4.161 -4.654 -2.625 1.00 0.00 C ATOM 652 O VAL A 45 3.405 -5.233 -3.404 1.00 0.00 O ATOM 653 CB VAL A 45 2.551 -3.283 -1.276 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.870 -3.954 0.068 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.958 -1.892 -1.018 1.00 0.00 C ATOM 0 H VAL A 45 2.762 -2.662 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 45 4.648 -2.838 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 45 1.807 -3.861 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.971 -3.980 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.219 -4.972 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.646 -3.388 0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.071 -1.985 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.696 -1.270 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.685 -1.431 -1.967 1.00 0.00 H new ATOM 665 N GLU A 46 5.281 -5.206 -2.138 1.00 0.00 N ATOM 666 CA GLU A 46 5.618 -6.616 -2.286 1.00 0.00 C ATOM 667 C GLU A 46 5.170 -7.322 -1.010 1.00 0.00 C ATOM 668 O GLU A 46 5.432 -6.833 0.089 1.00 0.00 O ATOM 669 CB GLU A 46 7.118 -6.825 -2.513 1.00 0.00 C ATOM 670 CG GLU A 46 7.538 -6.315 -3.896 1.00 0.00 C ATOM 671 CD GLU A 46 8.996 -6.628 -4.231 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.501 -7.655 -3.728 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.584 -5.834 -4.997 1.00 0.00 O ATOM 0 H GLU A 46 5.983 -4.673 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 46 5.114 -7.024 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.683 -6.302 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.359 -7.884 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.893 -6.762 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.384 -5.237 -3.942 1.00 0.00 H new ATOM 680 N TYR A 47 4.478 -8.456 -1.162 1.00 0.00 N ATOM 681 CA TYR A 47 3.818 -9.145 -0.067 1.00 0.00 C ATOM 682 C TYR A 47 3.766 -10.650 -0.323 1.00 0.00 C ATOM 683 O TYR A 47 4.004 -11.099 -1.443 1.00 0.00 O ATOM 684 CB TYR A 47 2.401 -8.581 0.104 1.00 0.00 C ATOM 685 CG TYR A 47 1.473 -8.911 -1.052 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.545 -8.173 -2.248 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.556 -9.974 -0.946 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.782 -8.559 -3.361 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.224 -10.344 -2.055 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.094 -9.651 -3.270 1.00 0.00 C ATOM 691 OH TYR A 47 -0.812 -10.037 -4.364 1.00 0.00 O ATOM 0 H TYR A 47 4.364 -8.920 -2.063 1.00 0.00 H new ATOM 0 HA TYR A 47 4.387 -8.983 0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.972 -8.972 1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.460 -7.498 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.189 -7.308 -2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.452 -10.506 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.869 -8.014 -4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.924 -11.162 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.370 -10.809 -4.133 1.00 0.00 H new ATOM 701 N ASP A 48 3.435 -11.417 0.723 1.00 0.00 N ATOM 702 CA ASP A 48 3.184 -12.850 0.646 1.00 0.00 C ATOM 703 C ASP A 48 1.665 -13.093 0.612 1.00 0.00 C ATOM 704 O ASP A 48 1.001 -12.825 1.614 1.00 0.00 O ATOM 705 CB ASP A 48 3.840 -13.544 1.848 1.00 0.00 C ATOM 706 CG ASP A 48 3.848 -15.071 1.733 1.00 0.00 C ATOM 707 OD1 ASP A 48 2.948 -15.618 1.060 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.765 -15.673 2.333 1.00 0.00 O ATOM 0 H ASP A 48 3.333 -11.043 1.667 1.00 0.00 H new ATOM 0 HA ASP A 48 3.617 -13.267 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.865 -13.188 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.312 -13.257 2.757 1.00 0.00 H new ATOM 713 N PRO A 49 1.111 -13.608 -0.505 1.00 0.00 N ATOM 714 CA PRO A 49 -0.280 -14.035 -0.640 1.00 0.00 C ATOM 715 C PRO A 49 -0.834 -14.831 0.545 1.00 0.00 C ATOM 716 O PRO A 49 -1.998 -14.666 0.904 1.00 0.00 O ATOM 717 CB PRO A 49 -0.327 -14.869 -1.921 1.00 0.00 C ATOM 718 CG PRO A 49 0.725 -14.187 -2.786 1.00 0.00 C ATOM 719 CD PRO A 49 1.803 -13.816 -1.768 1.00 0.00 C ATOM 0 HA PRO A 49 -0.919 -13.152 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.085 -15.915 -1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.313 -14.847 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.109 -14.853 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.326 -13.308 -3.293 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.545 -14.609 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.335 -12.915 -2.074 1.00 0.00 H new ATOM 727 N LEU A 50 -0.008 -15.697 1.144 1.00 0.00 N ATOM 728 CA LEU A 50 -0.410 -16.557 2.249 1.00 0.00 C ATOM 729 C LEU A 50 -0.799 -15.749 3.494 1.00 0.00 C ATOM 730 O LEU A 50 -1.664 -16.186 4.251 1.00 0.00 O ATOM 731 CB LEU A 50 0.721 -17.541 2.585 1.00 0.00 C ATOM 732 CG LEU A 50 1.151 -18.443 1.414 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.366 -19.271 1.848 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.025 -19.384 0.969 1.00 0.00 C ATOM 0 H LEU A 50 0.967 -15.817 0.868 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.293 -17.112 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.587 -16.976 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.402 -18.172 3.415 1.00 0.00 H new ATOM 0 HG LEU A 50 1.400 -17.804 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.680 -19.914 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.184 -18.603 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.099 -19.885 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.373 -20.002 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.265 -20.024 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.835 -18.796 0.647 1.00 0.00 H new ATOM 746 N LEU A 51 -0.162 -14.590 3.712 1.00 0.00 N ATOM 747 CA LEU A 51 -0.339 -13.776 4.910 1.00 0.00 C ATOM 748 C LEU A 51 -1.299 -12.612 4.648 1.00 0.00 C ATOM 749 O LEU A 51 -2.148 -12.332 5.493 1.00 0.00 O ATOM 750 CB LEU A 51 1.020 -13.243 5.388 1.00 0.00 C ATOM 751 CG LEU A 51 1.911 -14.230 6.166 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.286 -14.662 7.497 1.00 0.00 C ATOM 753 CD2 LEU A 51 2.303 -15.466 5.351 1.00 0.00 C ATOM 0 H LEU A 51 0.500 -14.190 3.047 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.772 -14.404 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.576 -12.896 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.842 -12.373 6.020 1.00 0.00 H new ATOM 0 HG LEU A 51 2.822 -13.671 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.955 -15.357 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.128 -13.786 8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.330 -15.151 7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.930 -16.119 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.404 -16.004 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.855 -15.157 4.463 1.00 0.00 H new ATOM 765 N THR A 52 -1.167 -11.928 3.503 1.00 0.00 N ATOM 766 CA THR A 52 -1.999 -10.780 3.151 1.00 0.00 C ATOM 767 C THR A 52 -2.306 -10.786 1.651 1.00 0.00 C ATOM 768 O THR A 52 -1.830 -11.655 0.924 1.00 0.00 O ATOM 769 CB THR A 52 -1.328 -9.480 3.630 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.235 -8.400 3.553 1.00 0.00 O ATOM 771 CG2 THR A 52 -0.071 -9.138 2.826 1.00 0.00 C ATOM 0 H THR A 52 -0.473 -12.162 2.793 1.00 0.00 H new ATOM 0 HA THR A 52 -2.960 -10.845 3.661 1.00 0.00 H new ATOM 0 HB THR A 52 -1.030 -9.647 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.795 -7.581 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.363 -8.213 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.655 -9.946 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.334 -9.012 1.776 1.00 0.00 H new ATOM 779 N SER A 53 -3.118 -9.826 1.192 1.00 0.00 N ATOM 780 CA SER A 53 -3.634 -9.769 -0.171 1.00 0.00 C ATOM 781 C SER A 53 -3.871 -8.311 -0.590 1.00 0.00 C ATOM 782 O SER A 53 -3.956 -7.446 0.281 1.00 0.00 O ATOM 783 CB SER A 53 -4.928 -10.591 -0.239 1.00 0.00 C ATOM 784 OG SER A 53 -5.886 -10.072 0.660 1.00 0.00 O ATOM 0 H SER A 53 -3.439 -9.053 1.775 1.00 0.00 H new ATOM 0 HA SER A 53 -2.909 -10.191 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.325 -10.574 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.718 -11.633 0.004 1.00 0.00 H new ATOM 0 HG SER A 53 -6.707 -10.604 0.606 1.00 0.00 H new ATOM 790 N PRO A 54 -3.991 -8.013 -1.899 1.00 0.00 N ATOM 791 CA PRO A 54 -4.240 -6.666 -2.402 1.00 0.00 C ATOM 792 C PRO A 54 -5.459 -6.006 -1.757 1.00 0.00 C ATOM 793 O PRO A 54 -5.400 -4.835 -1.392 1.00 0.00 O ATOM 794 CB PRO A 54 -4.418 -6.807 -3.917 1.00 0.00 C ATOM 795 CG PRO A 54 -3.598 -8.053 -4.236 1.00 0.00 C ATOM 796 CD PRO A 54 -3.863 -8.934 -3.018 1.00 0.00 C ATOM 0 HA PRO A 54 -3.406 -6.011 -2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.466 -6.930 -4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.049 -5.932 -4.451 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.923 -8.529 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.538 -7.825 -4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.771 -9.523 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.047 -9.638 -2.857 1.00 0.00 H new ATOM 804 N GLU A 55 -6.556 -6.759 -1.613 1.00 0.00 N ATOM 805 CA GLU A 55 -7.785 -6.284 -0.991 1.00 0.00 C ATOM 806 C GLU A 55 -7.589 -5.941 0.490 1.00 0.00 C ATOM 807 O GLU A 55 -8.209 -5.001 0.982 1.00 0.00 O ATOM 808 CB GLU A 55 -8.918 -7.299 -1.206 1.00 0.00 C ATOM 809 CG GLU A 55 -8.640 -8.678 -0.595 1.00 0.00 C ATOM 810 CD GLU A 55 -9.791 -9.637 -0.881 1.00 0.00 C ATOM 811 OE1 GLU A 55 -10.752 -9.628 -0.081 1.00 0.00 O ATOM 812 OE2 GLU A 55 -9.692 -10.359 -1.896 1.00 0.00 O ATOM 0 H GLU A 55 -6.610 -7.727 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.071 -5.352 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.837 -6.900 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.091 -7.415 -2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.714 -9.082 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.499 -8.582 0.482 1.00 0.00 H new ATOM 819 N THR A 56 -6.731 -6.686 1.199 1.00 0.00 N ATOM 820 CA THR A 56 -6.435 -6.441 2.606 1.00 0.00 C ATOM 821 C THR A 56 -5.598 -5.167 2.746 1.00 0.00 C ATOM 822 O THR A 56 -5.902 -4.319 3.581 1.00 0.00 O ATOM 823 CB THR A 56 -5.723 -7.658 3.215 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.517 -8.813 3.043 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.460 -7.473 4.712 1.00 0.00 C ATOM 0 H THR A 56 -6.223 -7.478 0.806 1.00 0.00 H new ATOM 0 HA THR A 56 -7.365 -6.293 3.155 1.00 0.00 H new ATOM 0 HB THR A 56 -4.768 -7.765 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.318 -9.220 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.955 -8.356 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.830 -6.597 4.865 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.407 -7.335 5.233 1.00 0.00 H new ATOM 833 N LEU A 57 -4.550 -5.037 1.923 1.00 0.00 N ATOM 834 CA LEU A 57 -3.678 -3.869 1.895 1.00 0.00 C ATOM 835 C LEU A 57 -4.490 -2.613 1.565 1.00 0.00 C ATOM 836 O LEU A 57 -4.376 -1.602 2.255 1.00 0.00 O ATOM 837 CB LEU A 57 -2.550 -4.095 0.875 1.00 0.00 C ATOM 838 CG LEU A 57 -1.600 -5.242 1.268 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.752 -5.649 0.057 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.673 -4.839 2.420 1.00 0.00 C ATOM 0 H LEU A 57 -4.285 -5.755 1.249 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.227 -3.723 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.988 -4.312 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.975 -3.175 0.769 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.212 -6.081 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.081 -6.461 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.405 -5.982 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.166 -4.794 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.018 -5.674 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.070 -3.982 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.271 -4.574 3.292 1.00 0.00 H new ATOM 852 N ARG A 58 -5.330 -2.693 0.527 1.00 0.00 N ATOM 853 CA ARG A 58 -6.290 -1.660 0.167 1.00 0.00 C ATOM 854 C ARG A 58 -7.171 -1.318 1.373 1.00 0.00 C ATOM 855 O ARG A 58 -7.319 -0.148 1.712 1.00 0.00 O ATOM 856 CB ARG A 58 -7.125 -2.147 -1.022 1.00 0.00 C ATOM 857 CG ARG A 58 -8.175 -1.114 -1.446 1.00 0.00 C ATOM 858 CD ARG A 58 -8.919 -1.564 -2.707 1.00 0.00 C ATOM 859 NE ARG A 58 -9.502 -2.905 -2.558 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.578 -3.208 -1.814 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.250 -2.260 -1.144 1.00 0.00 N ATOM 862 NH2 ARG A 58 -10.987 -4.481 -1.739 1.00 0.00 N ATOM 0 H ARG A 58 -5.357 -3.500 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.769 -0.749 -0.126 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.467 -2.362 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.621 -3.081 -0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.887 -0.962 -0.635 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.691 -0.154 -1.629 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.710 -0.849 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.232 -1.560 -3.553 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.052 -3.669 -3.062 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.946 -1.288 -1.194 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.065 -2.511 -0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.482 -5.209 -2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.803 -4.722 -1.177 1.00 0.00 H new ATOM 876 N GLY A 59 -7.742 -2.341 2.021 1.00 0.00 N ATOM 877 CA GLY A 59 -8.580 -2.207 3.204 1.00 0.00 C ATOM 878 C GLY A 59 -7.897 -1.409 4.317 1.00 0.00 C ATOM 879 O GLY A 59 -8.521 -0.538 4.918 1.00 0.00 O ATOM 0 H GLY A 59 -7.626 -3.310 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.514 -1.717 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.838 -3.198 3.577 1.00 0.00 H new ATOM 883 N ALA A 60 -6.619 -1.697 4.588 1.00 0.00 N ATOM 884 CA ALA A 60 -5.835 -0.983 5.587 1.00 0.00 C ATOM 885 C ALA A 60 -5.713 0.502 5.234 1.00 0.00 C ATOM 886 O ALA A 60 -5.840 1.357 6.108 1.00 0.00 O ATOM 887 CB ALA A 60 -4.454 -1.628 5.728 1.00 0.00 C ATOM 0 H ALA A 60 -6.102 -2.438 4.114 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.351 -1.051 6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.875 -1.088 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.568 -2.667 6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.935 -1.589 4.770 1.00 0.00 H new ATOM 893 N ILE A 61 -5.474 0.814 3.957 1.00 0.00 N ATOM 894 CA ILE A 61 -5.349 2.188 3.487 1.00 0.00 C ATOM 895 C ILE A 61 -6.690 2.924 3.613 1.00 0.00 C ATOM 896 O ILE A 61 -6.722 4.079 4.038 1.00 0.00 O ATOM 897 CB ILE A 61 -4.779 2.203 2.058 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.357 1.615 2.029 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.730 3.645 1.542 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.966 1.104 0.639 1.00 0.00 C ATOM 0 H ILE A 61 -5.362 0.116 3.222 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.643 2.731 4.115 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.426 1.596 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.645 2.377 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.290 0.797 2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.326 3.656 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.736 4.064 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.092 4.243 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.954 0.699 0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.660 0.322 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.005 1.926 -0.075 1.00 0.00 H new ATOM 912 N GLU A 62 -7.796 2.256 3.265 1.00 0.00 N ATOM 913 CA GLU A 62 -9.145 2.779 3.449 1.00 0.00 C ATOM 914 C GLU A 62 -9.412 3.070 4.929 1.00 0.00 C ATOM 915 O GLU A 62 -9.995 4.104 5.249 1.00 0.00 O ATOM 916 CB GLU A 62 -10.174 1.796 2.875 1.00 0.00 C ATOM 917 CG GLU A 62 -10.094 1.748 1.342 1.00 0.00 C ATOM 918 CD GLU A 62 -10.974 0.666 0.719 1.00 0.00 C ATOM 919 OE1 GLU A 62 -11.518 -0.163 1.482 1.00 0.00 O ATOM 920 OE2 GLU A 62 -11.085 0.681 -0.526 1.00 0.00 O ATOM 0 H GLU A 62 -7.774 1.327 2.844 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.238 3.720 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.998 0.801 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.177 2.094 3.181 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.386 2.718 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.059 1.579 1.045 1.00 0.00 H new ATOM 927 N ASP A 63 -8.978 2.175 5.826 1.00 0.00 N ATOM 928 CA ASP A 63 -9.109 2.355 7.266 1.00 0.00 C ATOM 929 C ASP A 63 -8.331 3.587 7.741 1.00 0.00 C ATOM 930 O ASP A 63 -8.862 4.373 8.524 1.00 0.00 O ATOM 931 CB ASP A 63 -8.667 1.083 8.000 1.00 0.00 C ATOM 932 CG ASP A 63 -8.836 1.221 9.510 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.984 1.047 9.972 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.815 1.500 10.175 1.00 0.00 O ATOM 0 H ASP A 63 -8.523 1.300 5.564 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.158 2.532 7.503 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.251 0.235 7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.623 0.872 7.768 1.00 0.00 H new ATOM 939 N MET A 64 -7.089 3.767 7.267 1.00 0.00 N ATOM 940 CA MET A 64 -6.296 4.958 7.563 1.00 0.00 C ATOM 941 C MET A 64 -6.986 6.227 7.046 1.00 0.00 C ATOM 942 O MET A 64 -6.918 7.261 7.707 1.00 0.00 O ATOM 943 CB MET A 64 -4.866 4.819 7.021 1.00 0.00 C ATOM 944 CG MET A 64 -4.060 3.816 7.857 1.00 0.00 C ATOM 945 SD MET A 64 -2.295 3.696 7.455 1.00 0.00 S ATOM 946 CE MET A 64 -2.369 2.820 5.875 1.00 0.00 C ATOM 0 H MET A 64 -6.612 3.091 6.670 1.00 0.00 H new ATOM 0 HA MET A 64 -6.222 5.053 8.646 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.897 4.491 5.982 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.371 5.790 7.034 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.157 4.087 8.908 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.509 2.830 7.739 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.388 2.405 5.643 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.099 2.013 5.940 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.665 3.514 5.088 1.00 0.00 H new ATOM 956 N GLY A 65 -7.659 6.145 5.890 1.00 0.00 N ATOM 957 CA GLY A 65 -8.541 7.192 5.389 1.00 0.00 C ATOM 958 C GLY A 65 -8.044 7.785 4.075 1.00 0.00 C ATOM 959 O GLY A 65 -7.810 8.989 3.994 1.00 0.00 O ATOM 0 H GLY A 65 -7.601 5.335 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.542 6.784 5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.623 7.983 6.134 1.00 0.00 H new ATOM 963 N PHE A 66 -7.902 6.940 3.046 1.00 0.00 N ATOM 964 CA PHE A 66 -7.600 7.361 1.683 1.00 0.00 C ATOM 965 C PHE A 66 -8.416 6.506 0.716 1.00 0.00 C ATOM 966 O PHE A 66 -8.662 5.331 0.986 1.00 0.00 O ATOM 967 CB PHE A 66 -6.102 7.226 1.391 1.00 0.00 C ATOM 968 CG PHE A 66 -5.194 7.968 2.351 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.818 7.373 3.570 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.734 9.257 2.029 1.00 0.00 C ATOM 971 CE1 PHE A 66 -4.046 8.095 4.494 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.939 9.971 2.942 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.619 9.399 4.187 1.00 0.00 C ATOM 0 H PHE A 66 -7.996 5.929 3.145 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.865 8.411 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.838 6.169 1.408 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.910 7.587 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.123 6.362 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.992 9.699 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.780 7.649 5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.575 10.956 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.045 9.962 4.908 1.00 0.00 H new ATOM 983 N ASP A 67 -8.829 7.094 -0.413 1.00 0.00 N ATOM 984 CA ASP A 67 -9.573 6.394 -1.449 1.00 0.00 C ATOM 985 C ASP A 67 -8.601 5.511 -2.231 1.00 0.00 C ATOM 986 O ASP A 67 -7.997 5.953 -3.208 1.00 0.00 O ATOM 987 CB ASP A 67 -10.302 7.407 -2.341 1.00 0.00 C ATOM 988 CG ASP A 67 -10.998 6.728 -3.519 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.892 5.897 -3.250 1.00 0.00 O ATOM 990 OD2 ASP A 67 -10.622 7.049 -4.668 1.00 0.00 O ATOM 0 H ASP A 67 -8.652 8.075 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.339 5.752 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.038 7.950 -1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.589 8.142 -2.715 1.00 0.00 H new ATOM 995 N ALA A 68 -8.454 4.261 -1.780 1.00 0.00 N ATOM 996 CA ALA A 68 -7.543 3.287 -2.353 1.00 0.00 C ATOM 997 C ALA A 68 -8.307 2.341 -3.274 1.00 0.00 C ATOM 998 O ALA A 68 -9.364 1.833 -2.904 1.00 0.00 O ATOM 999 CB ALA A 68 -6.848 2.522 -1.231 1.00 0.00 C ATOM 0 H ALA A 68 -8.982 3.898 -0.986 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.784 3.796 -2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.163 1.790 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.289 3.219 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.594 2.009 -0.624 1.00 0.00 H new ATOM 1005 N THR A 69 -7.763 2.117 -4.475 1.00 0.00 N ATOM 1006 CA THR A 69 -8.328 1.251 -5.502 1.00 0.00 C ATOM 1007 C THR A 69 -7.172 0.492 -6.156 1.00 0.00 C ATOM 1008 O THR A 69 -6.048 0.987 -6.171 1.00 0.00 O ATOM 1009 CB THR A 69 -9.104 2.109 -6.517 1.00 0.00 C ATOM 1010 OG1 THR A 69 -10.081 2.881 -5.848 1.00 0.00 O ATOM 1011 CG2 THR A 69 -9.821 1.262 -7.572 1.00 0.00 C ATOM 0 H THR A 69 -6.886 2.551 -4.764 1.00 0.00 H new ATOM 0 HA THR A 69 -9.030 0.531 -5.082 1.00 0.00 H new ATOM 0 HB THR A 69 -8.369 2.742 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.570 3.426 -6.500 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.353 1.916 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.089 0.670 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.532 0.596 -7.082 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.429 -0.705 -6.695 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.402 -1.486 -7.372 1.00 0.00 C ATOM 1021 C LEU A 70 -6.004 -0.783 -8.673 1.00 0.00 C ATOM 1022 O LEU A 70 -6.848 -0.175 -9.331 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.897 -2.908 -7.691 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.311 -3.801 -6.505 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -6.336 -3.713 -5.326 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -8.751 -3.558 -6.035 1.00 0.00 C ATOM 0 H LEU A 70 -8.346 -1.151 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.542 -1.566 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.751 -2.824 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.109 -3.423 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.268 -4.817 -6.896 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.679 -4.363 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.344 -4.029 -5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.290 -2.685 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.977 -4.219 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.860 -2.521 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.440 -3.761 -6.854 1.00 0.00 H new